# Thu 21:29:10 04-Jun-2020 begin identify mbxgpP202005110050ee[*,926] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,926] units Angstroms features 32 28.23 5162.26858 5162.285 6.0 1 1 23 66.11 5187.69978 5187.746 6.0 1 1 31 116.22 5221.32401 5221.271 6.0 1 1 17 343.64 5373.55725 5373.494 6.0 1 1 5 415.27 5421.35791 5421.352 6.0 1 1 8 527.09 5495.81808 5495.874 6.0 1 1 43 621.91 5558.7856 5558.702 6.0 1 1 55 694.19 5606.67483 5606.733 6.0 1 1 53 819.74 5689.60591 5689.6401 6.0 1 1 8 acs: add; not Ar 895.43 5739.44832 5739.52 6.0 1 1 16 990.83 5802.07994 5802.08 6.0 1 1 8 acs: increase 1159.22 5912.12525 5912.085 6.0 1 1 47 1184.75 5928.75172 5928.8101 6.0 1 1 20 acs: add 1206.13 5942.66461 5942.6665 6.0 1 1 7 acs: add 1293.03 5999.08268 5998.999 6.0 1 1 7 weak 1315.51 6013.65009 6013.678 6.0 1 1 6 1344.06 6032.12756 6032.127 6.0 1 1 170 1361.32 6043.29128 6043.223 6.0 1 1 67 1386.26 6059.40367 6059.373 6.0 1 1 33 1457.84 6105.56563 6105.635 6.0 1 1 19 1519.99 6145.53067 6145.441 6.0 1 1 18 1756.77 6296.84746 6296.872 6.0 1 1 13 1871.41 6369.54738 6369.575 6.0 1 1 9 1895.39 6384.7057 6384.717 6.0 1 1 33 1945.39 6416.26174 6416.307 6.0 1 1 164 2246.75 6604.87534 6604.853 6.0 1 1 24 2363.63 6677.27475 6677.282 6.0 1 1 434 2486.40 6752.85509 6752.834 6.0 1 1 331 2680.43 6871.27742 6871.289 6.0 1 1 316 2836.22 6965.41618 6965.431 6.0 1 1 56184 2944.43 7030.27739 7030.251 6.0 1 1 319 3006.41 7067.22869 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.22848892211914 3141.1318359375 6170.774779742157 993.6361924896655 -16.18940857573551 -1.201170889557706 0.06152012390442971 -0.0567131372686783 # Thu 21:43:01 04-Jun-2020 begin identify mbxgpP202005110050ee[*,921] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,921] units Angstroms features 32 28.28 5162.25999 5162.285 6.0 1 1 23 66.20 5187.71467 5187.746 6.0 1 1 31 116.29 5221.32685 5221.271 6.0 1 1 17 343.64 5373.53413 5373.494 6.0 1 1 5 415.24 5421.32526 5421.352 6.0 1 1 8 527.13 5495.83956 5495.874 6.0 1 1 43 621.94 5558.80734 5558.702 6.0 1 1 55 694.27 5606.72781 5606.733 6.0 1 1 53 819.68 5689.56957 5689.6401 6.0 1 1 8 acs: add; not Ar 895.47 5739.46933 5739.52 6.0 1 1 16 990.91 5802.12826 5802.08 6.0 1 1 8 acs: increase 1159.26 5912.13012 5912.085 6.0 1 1 47 1184.61 5928.6389 5928.8101 6.0 1 1 20 acs: add 1206.00 5942.54794 5942.6665 6.0 1 1 7 acs: add 1293.18 5999.14451 5998.999 6.0 1 1 7 weak 1315.60 6013.66787 6013.678 6.0 1 1 6 1344.06 6032.08864 6032.127 6.0 1 1 170 1361.30 6043.23437 6043.223 6.0 1 1 67 1386.43 6059.46959 6059.373 6.0 1 1 33 1457.93 6105.56715 6105.635 6.0 1 1 19 1520.25 6145.64368 6145.441 6.0 1 1 18 1756.88 6296.85067 6296.872 6.0 1 1 13 1871.55 6369.57102 6369.575 6.0 1 1 9 1895.54 6384.73598 6384.717 6.0 1 1 33 1945.43 6416.22648 6416.307 6.0 1 1 164 2246.67 6604.79744 6604.853 6.0 1 1 24 2363.61 6677.25349 6677.282 6.0 1 1 434 2486.43 6752.87749 6752.834 6.0 1 1 331 2680.47 6871.32306 6871.289 6.0 1 1 316 2836.24 6965.4251 6965.431 6.0 1 1 56184 2944.54 7030.3055 7030.251 6.0 1 1 319 3006.42 7067.16193 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.28405952453613 3006.42236328125 6129.205039486038 953.5653642990091 -14.53599549211309 -1.049569185431905 0.04191547103229414 -0.06482511076821549 # Thu 21:43:01 04-Jun-2020 begin identify mbxgpP202005110050ee[*,916] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,916] units Angstroms features 32 28.32 5162.28494 5162.285 6.0 1 1 23 66.23 5187.73342 5187.746 6.0 1 1 31 116.25 5221.29205 5221.271 6.0 1 1 17 343.61 5373.4894 5373.494 6.0 1 1 5 415.33 5421.35281 5421.352 6.0 1 1 8 527.13 5495.80635 5495.874 6.0 1 1 43 621.93 5558.76768 5558.702 6.0 1 1 55 694.33 5606.73751 5606.733 6.0 1 1 53 819.86 5689.66375 5689.6401 6.0 1 1 8 acs: add; not Ar 895.49 5739.46622 5739.52 6.0 1 1 16 990.97 5802.15614 5802.08 6.0 1 1 8 acs: increase 1159.30 5912.16694 5912.085 6.0 1 1 47 1184.66 5928.68478 5928.8101 6.0 1 1 20 acs: add 1206.04 5942.59279 5942.6665 6.0 1 1 7 acs: add 1293.47 5999.35997 5998.999 6.0 1 0 7 weak 1315.51 6013.64264 6013.678 6.0 1 1 6 1344.09 6032.13668 6032.127 6.0 1 1 170 1361.30 6043.26908 6043.223 6.0 1 1 67 1386.35 6059.45462 6059.373 6.0 1 1 33 1457.88 6105.58241 6105.635 6.0 1 1 19 1520.23 6145.67539 6145.441 6.0 1 0 18 1756.88 6296.90719 6296.872 6.0 1 1 13 1871.43 6369.54602 6369.575 6.0 1 1 9 1895.50 6384.76119 6384.717 6.0 1 1 33 1945.44 6416.28015 6416.307 6.0 1 1 164 2246.71 6604.83089 6604.853 6.0 1 1 24 2363.66 6677.27268 6677.282 6.0 1 1 434 2486.46 6752.86668 6752.834 6.0 1 1 331 2680.49 6871.28428 6871.289 6.0 1 1 316 2836.26 6965.40218 6965.431 6.0 1 1 56184 2944.55 7030.29673 7030.251 6.0 1 1 319 3006.46 7067.19551 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.31685638427735 3006.45556640625 6129.222262018555 953.5646270857125 -14.55544980965711 -1.057907362378312 0.0734115654521667 -0.05143553159731422 # Thu 21:43:01 04-Jun-2020 begin identify mbxgpP202005110050ee[*,911] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,911] units Angstroms features 32 28.29 5162.25243 5162.285 6.0 1 1 23 66.23 5187.72449 5187.746 6.0 1 1 31 116.30 5221.31736 5221.271 6.0 1 1 17 343.72 5373.55916 5373.494 6.0 1 1 5 415.35 5421.36988 5421.352 6.0 1 1 8 527.12 5495.80257 5495.874 6.0 1 1 43 621.94 5558.77599 5558.702 6.0 1 1 55 694.22 5606.66356 5606.733 6.0 1 1 53 819.76 5689.59557 5689.6401 6.0 1 1 8 acs: add; not Ar 895.51 5739.47516 5739.52 6.0 1 1 16 991.30 5802.36321 5802.08 6.0 1 0 8 acs: increase 1159.28 5912.13989 5912.085 6.0 1 1 47 1184.93 5928.84531 5928.8101 6.0 1 1 20 acs: add 1206.08 5942.60081 5942.6665 6.0 1 1 7 acs: add 1293.04 5999.06256 5998.999 6.0 1 1 7 weak 1315.41 6013.55772 6013.678 6.0 1 1 6 1344.12 6032.14016 6032.127 6.0 1 1 170 1361.37 6043.29282 6043.223 6.0 1 1 67 1386.40 6059.46131 6059.373 6.0 1 1 33 1457.96 6105.6088 6105.635 6.0 1 1 19 1520.01 6145.51181 6145.441 6.0 1 1 18 1756.80 6296.82545 6296.872 6.0 1 1 13 1871.47 6369.54359 6369.575 6.0 1 1 9 1895.41 6384.67761 6384.717 6.0 1 1 33 1945.46 6416.26553 6416.307 6.0 1 1 164 2246.83 6604.89365 6604.853 6.0 1 1 24 2363.70 6677.28804 6677.282 6.0 1 1 434 2486.45 6752.85989 6752.834 6.0 1 1 331 2680.48 6871.28198 6871.289 6.0 1 1 316 2836.29 6965.41705 6965.431 6.0 1 1 56184 2944.49 7030.25815 7030.251 6.0 1 1 319 3006.50 7067.21539 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.29151344299317 3006.496826171875 6129.217499928303 953.586071015362 -14.54857643492068 -1.052829482080379 0.06498537409174354 -0.05176098266059538 # Thu 21:43:01 04-Jun-2020 begin identify mbxgpP202005110050ee[*,906] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,906] units Angstroms features 32 28.31 5162.27672 5162.285 6.0 1 1 23 66.23 5187.73237 5187.746 6.0 1 1 31 116.21 5221.2673 5221.271 6.0 1 1 17 343.81 5373.59994 5373.494 6.0 1 1 5 415.38 5421.36579 5421.352 6.0 1 1 8 527.16 5495.79482 5495.874 6.0 1 1 43 621.98 5558.7596 5558.702 6.0 1 1 55 694.25 5606.6395 5606.733 6.0 1 1 53 819.72 5689.52201 5689.6401 6.0 1 1 8 acs: add; not Ar 895.62 5739.49393 5739.52 6.0 1 1 16 991.18 5802.23601 5802.08 6.0 1 1 8 acs: increase 1159.26 5912.07842 5912.085 6.0 1 1 47 1184.93 5928.79675 5928.8101 6.0 1 1 20 acs: add 1206.38 5942.75053 5942.6665 6.0 1 1 7 acs: add 1293.01 5998.99618 5998.999 6.0 1 1 7 weak 1315.57 6013.61112 6013.678 6.0 1 1 6 1344.14 6032.10345 6032.127 6.0 1 1 170 1361.44 6043.29458 6043.223 6.0 1 1 67 1386.38 6059.41009 6059.373 6.0 1 1 33 1458.02 6105.60297 6105.635 6.0 1 1 19 1520.04 6145.49363 6145.441 6.0 1 1 18 1756.67 6296.71253 6296.872 6.0 1 1 13 1871.65 6369.62691 6369.575 6.0 1 1 9 1895.50 6384.70894 6384.717 6.0 1 1 33 1945.52 6416.27536 6416.307 6.0 1 1 164 2246.92 6604.91509 6604.853 6.0 1 1 24 2363.75 6677.28633 6677.282 6.0 1 1 434 2486.51 6752.86281 6752.834 6.0 1 1 331 2680.49 6871.2516 6871.289 6.0 1 1 316 2836.33 6965.421 6965.431 6.0 1 1 56184 2944.47 7030.2397 7030.251 6.0 1 1 319 3006.53 7067.23771 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.306396484375 3006.528564453125 6129.20897508857 953.5862640096317 -14.52489078807375 -1.059826671113495 0.07312932020956037 -0.04594419035674252 # Thu 21:43:01 04-Jun-2020 begin identify mbxgpP202005110050ee[*,901] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,901] units Angstroms features 32 28.42 5162.31675 5162.285 6.0 1 1 23 66.16 5187.66199 5187.746 6.0 1 1 31 116.31 5221.31406 5221.271 6.0 1 1 17 343.61 5373.47205 5373.494 6.0 1 1 5 415.49 5421.44091 5421.352 6.0 1 1 8 527.23 5495.83711 5495.874 6.0 1 1 43 622.02 5558.78344 5558.702 6.0 1 1 55 694.34 5606.68921 5606.733 6.0 1 1 53 819.80 5689.5591 5689.6401 6.0 1 1 8 acs: add; not Ar 895.51 5739.40421 5739.52 6.0 1 1 16 991.05 5802.12887 5802.08 6.0 1 1 8 acs: increase 1159.39 5912.12798 5912.085 6.0 1 1 47 1184.92 5928.75439 5928.8101 6.0 1 1 20 acs: add 1206.43 5942.74745 5942.6665 6.0 1 1 7 acs: add 1292.98 5998.94295 5998.999 6.0 1 1 7 weak 1315.87 6013.77338 6013.678 6.0 1 1 6 1344.21 6032.1121 6032.127 6.0 1 1 170 1361.54 6043.3195 6043.223 6.0 1 1 67 1386.38 6059.36573 6059.373 6.0 1 1 33 1457.99 6105.54722 6105.635 6.0 1 1 19 1520.17 6145.53327 6145.441 6.0 1 1 18 1756.86 6296.789 6296.872 6.0 1 1 13 1871.58 6369.54368 6369.575 6.0 1 1 9 1895.57 6384.7096 6384.717 6.0 1 1 33 1945.59 6416.27429 6416.307 6.0 1 1 164 2246.95 6604.89255 6604.853 6.0 1 1 24 2363.82 6677.29234 6677.282 6.0 1 1 434 2486.61 6752.88124 6752.834 6.0 1 1 331 2680.56 6871.25767 6871.289 6.0 1 1 316 2836.38 6965.4148 6965.431 6.0 1 1 56184 2944.52 7030.24079 7030.251 6.0 1 1 319 3006.56 7067.23608 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.41593551635742 3006.562255859375 6129.228770897634 953.5477452337881 -14.51759394546398 -1.048032186257535 0.06523797448505694 -0.04004615626919571 # Thu 21:43:01 04-Jun-2020 begin identify mbxgpP202005110050ee[*,896] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,896] units Angstroms features 32 28.48 5162.30012 5162.285 6.0 1 1 23 66.27 5187.6531 5187.746 6.0 1 1 31 116.48 5221.32106 5221.271 6.0 1 1 17 344.04 5373.62719 5373.494 6.0 1 1 5 415.53 5421.34498 5421.352 6.0 1 1 8 527.30 5495.79764 5495.874 6.0 1 1 43 622.04 5558.73511 5558.702 6.0 1 1 55 694.36 5606.6608 5606.733 6.0 1 1 53 819.96 5689.65387 5689.6401 6.0 1 1 8 acs: add; not Ar 895.51 5739.40947 5739.52 6.0 1 1 16 991.01 5802.12589 5802.08 6.0 1 1 8 acs: increase 1159.40 5912.172 5912.085 6.0 1 1 47 1184.84 5928.74118 5928.8101 6.0 1 1 20 acs: add 1206.27 5942.67786 5942.6665 6.0 1 1 7 acs: add 1292.89 5998.9158 5998.999 6.0 1 1 7 weak 1316.22 6014.02972 6013.678 6.0 1 0 6 1344.28 6032.18766 6032.127 6.0 1 1 170 1361.55 6043.35582 6043.223 6.0 1 1 67 1386.34 6059.37048 6059.373 6.0 1 1 33 1457.98 6105.55712 6105.635 6.0 1 1 19 1520.15 6145.53492 6145.441 6.0 1 1 18 1756.96 6296.8321 6296.872 6.0 1 1 13 1871.67 6369.56441 6369.575 6.0 1 1 9 1895.60 6384.68702 6384.717 6.0 1 1 33 1945.65 6416.27448 6416.307 6.0 1 1 164 2246.95 6604.85221 6604.853 6.0 1 1 24 2363.86 6677.28309 6677.282 6.0 1 1 434 2486.62 6752.86935 6752.834 6.0 1 1 331 2680.60 6871.28231 6871.289 6.0 1 1 316 2836.41 6965.43289 6965.431 6.0 1 1 56184 2944.60 7030.26401 7030.251 6.0 1 1 319 3006.60 7067.20175 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.47637748718262 3006.601318359375 6129.220375962833 953.5732282902676 -14.55217167412399 -1.040416473837798 0.08273197924548216 -0.08199808718403051 # Thu 21:43:01 04-Jun-2020 begin identify mbxgpP202005110050ee[*,891] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,891] units Angstroms features 32 28.40 5162.2652 5162.285 6.0 1 1 23 66.34 5187.70903 5187.746 6.0 1 1 31 116.47 5221.30812 5221.271 6.0 1 1 17 344.21 5373.7098 5373.494 6.0 1 1 5 415.42 5421.23806 5421.352 6.0 1 1 8 527.31 5495.76534 5495.874 6.0 1 1 43 622.05 5558.70054 5558.702 6.0 1 1 55 694.40 5606.64546 5606.733 6.0 1 1 53 820.11 5689.7076 5689.6401 6.0 1 1 8 acs: add; not Ar 895.75 5739.52881 5739.52 6.0 1 1 16 991.18 5802.19141 5802.08 6.0 1 1 8 acs: increase 1159.43 5912.15357 5912.085 6.0 1 1 47 1184.80 5928.67212 5928.8101 6.0 1 1 20 acs: add 1206.13 5942.5499 5942.6665 6.0 1 1 7 acs: add 1293.19 5999.06874 5998.999 6.0 1 1 7 weak 1316.40 6014.10342 6013.678 6.0 1 0 6 1344.29 6032.15161 6032.127 6.0 1 1 170 1361.56 6043.32399 6043.223 6.0 1 1 67 1386.41 6059.3736 6059.373 6.0 1 1 33 1458.02 6105.54222 6105.635 6.0 1 1 19 1520.11 6145.46779 6145.441 6.0 1 1 18 1756.94 6296.78401 6296.872 6.0 1 1 13 1871.98 6369.7256 6369.575 6.0 1 1 9 1895.69 6384.71239 6384.717 6.0 1 1 33 1945.66 6416.24674 6416.307 6.0 1 1 164 2246.93 6604.81456 6604.853 6.0 1 1 24 2363.90 6677.28309 6677.282 6.0 1 1 434 2486.64 6752.86493 6752.834 6.0 1 1 331 2680.59 6871.2697 6871.289 6.0 1 1 316 2836.45 6965.44247 6965.431 6.0 1 1 56184 2944.66 7030.27598 7030.251 6.0 1 1 319 3006.64 7067.19332 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.40154266357422 3006.63916015625 6129.182883369919 953.6076521804066 -14.53714223606803 -1.054690337976528 0.08351436961514308 -0.08890169946855629 # Thu 21:43:01 04-Jun-2020 begin identify mbxgpP202005110050ee[*,886] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,886] units Angstroms features 32 28.38 5162.25093 5162.285 6.0 1 1 23 66.34 5187.74273 5187.746 6.0 1 1 31 116.40 5221.33742 5221.271 6.0 1 1 17 343.60 5373.42899 5373.494 6.0 1 1 5 415.46 5421.38083 5421.352 6.0 1 1 8 527.31 5495.85725 5495.874 6.0 1 1 43 622.08 5558.78493 5558.702 6.0 1 1 55 694.43 5606.71004 5606.733 6.0 1 1 53 819.87 5689.55572 5689.6401 6.0 1 1 8 acs: add; not Ar 895.75 5739.51069 5739.52 6.0 1 1 16 991.15 5802.13935 5802.08 6.0 1 1 8 acs: increase 1159.53 5912.1619 5912.085 6.0 1 1 47 1184.93 5928.69924 5928.8101 6.0 1 1 20 acs: add 1206.22 5942.55205 5942.6665 6.0 1 1 7 acs: add 1293.40 5999.15039 5998.999 6.0 1 1 7 weak 1316.42 6014.06046 6013.678 6.0 1 0 6 1344.33 6032.12179 6032.127 6.0 1 1 170 1361.61 6043.29981 6043.223 6.0 1 1 67 1386.62 6059.45657 6059.373 6.0 1 1 33 1457.99 6105.47966 6105.635 6.0 1 1 19 1520.20 6145.48481 6145.441 6.0 1 1 18 1756.92 6296.75527 6296.872 6.0 1 1 13 1871.94 6369.69804 6369.575 6.0 1 1 9 1895.64 6384.68 6384.717 6.0 1 1 33 1945.67 6416.251 6416.307 6.0 1 1 164 2247.07 6604.89793 6604.853 6.0 1 1 24 2363.92 6677.28259 6677.282 6.0 1 1 434 2486.69 6752.85949 6752.834 6.0 1 1 331 2680.67 6871.25546 6871.289 6.0 1 1 316 2836.50 6965.40683 6965.431 6.0 1 1 56184 2944.73 7030.28347 7030.251 6.0 1 1 319 3006.68 7067.21053 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.3819694519043 3006.677734375 6129.191828639547 953.56883836473 -14.51842657893858 -1.047780920211351 0.05732625475624654 -0.04125583623217802 # Thu 21:43:01 04-Jun-2020 begin identify mbxgpP202005110050ee[*,881] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,881] units Angstroms features 32 28.46 5162.26484 5162.285 6.0 1 1 23 66.35 5187.71643 5187.746 6.0 1 1 31 116.41 5221.3117 5221.271 6.0 1 1 17 343.71 5373.48411 5373.494 6.0 1 1 5 415.57 5421.43375 5421.352 6.0 1 1 8 527.32 5495.84354 5495.874 6.0 1 1 43 622.15 5558.80532 5558.702 6.0 1 1 55 694.44 5606.69225 5606.733 6.0 1 1 53 819.87 5689.52762 5689.6401 6.0 1 1 8 acs: add; not Ar 895.71 5739.45472 5739.52 6.0 1 1 16 990.99 5802.00324 5802.08 6.0 1 1 8 acs: increase 1159.57 5912.15502 5912.085 6.0 1 1 47 1185.03 5928.73298 5928.8101 6.0 1 1 20 acs: add 1206.38 5942.61964 5942.6665 6.0 1 1 7 acs: add 1293.34 5999.07524 5998.999 6.0 1 1 7 weak 1316.13 6013.8393 6013.678 6.0 1 1 6 1344.38 6032.12368 6032.127 6.0 1 1 170 1361.66 6043.29992 6043.223 6.0 1 1 67 1386.66 6059.44907 6059.373 6.0 1 1 33 1458.08 6105.50511 6105.635 6.0 1 1 19 1520.34 6145.54207 6145.441 6.0 1 1 18 1757.05 6296.81456 6296.872 6.0 1 1 13 1871.74 6369.54885 6369.575 6.0 1 1 9 1895.56 6384.60817 6384.717 6.0 1 1 33 1945.71 6416.25991 6416.307 6.0 1 1 164 2247.17 6604.94062 6604.853 6.0 1 1 24 2363.96 6677.29181 6677.282 6.0 1 1 434 2486.72 6752.85799 6752.834 6.0 1 1 331 2680.74 6871.27242 6871.289 6.0 1 1 316 2836.53 6965.39549 6965.431 6.0 1 1 56184 2944.83 7030.30067 7030.251 6.0 1 1 319 3006.72 7067.19366 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.45828819274902 3006.72216796875 6129.203230196291 953.5547133581451 -14.52349245496109 -1.051968669890612 0.04951305424396331 -0.03833663036854121 # Thu 21:43:01 04-Jun-2020 begin identify mbxgpP202005110050ee[*,876] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,876] units Angstroms features 32 28.50 5162.29377 5162.285 6.0 1 1 23 66.37 5187.71293 5187.746 6.0 1 1 31 116.40 5221.27138 5221.271 6.0 1 1 17 343.87 5373.51239 5373.494 6.0 1 1 5 415.66 5421.42188 5421.352 6.0 1 1 8 527.39 5495.81995 5495.874 6.0 1 1 43 622.23 5558.80781 5558.702 6.0 1 1 55 694.48 5606.67336 5606.733 6.0 1 1 53 820.05 5689.62311 5689.6401 6.0 1 1 8 acs: add; not Ar 895.72 5739.44535 5739.52 6.0 1 1 16 990.99 5801.99216 5802.08 6.0 1 1 8 acs: increase 1159.53 5912.12947 5912.085 6.0 1 1 47 1185.09 5928.77343 5928.8101 6.0 1 1 20 acs: add 1206.39 5942.62818 5942.6665 6.0 1 1 7 acs: add 1293.45 5999.14401 5998.999 6.0 1 1 7 weak 1315.68 6013.55118 6013.678 6.0 1 1 6 1344.40 6032.13798 6032.127 6.0 1 1 170 1361.74 6043.34509 6043.223 6.0 1 1 67 1386.63 6059.42365 6059.373 6.0 1 1 33 1458.25 6105.60627 6105.635 6.0 1 1 19 1520.38 6145.56043 6145.441 6.0 1 1 18 1757.07 6296.79871 6296.872 6.0 1 1 13 1871.79 6369.54988 6369.575 6.0 1 1 9 1895.73 6384.68296 6384.717 6.0 1 1 33 1945.74 6416.24399 6416.307 6.0 1 1 164 2247.10 6604.86717 6604.853 6.0 1 1 24 2364.04 6677.30954 6677.282 6.0 1 1 434 2486.78 6752.87865 6752.834 6.0 1 1 331 2680.74 6871.25839 6871.289 6.0 1 1 316 2836.58 6965.40983 6965.431 6.0 1 1 56184 2944.89 7030.30824 7030.251 6.0 1 1 319 3006.78 7067.18257 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.49591064453125 3006.775146484375 6129.202658193796 953.5656384821926 -14.52833745292783 -1.05942021111065 0.06384700034075573 -0.06181919420012673 # Thu 21:43:01 04-Jun-2020 begin identify mbxgpP202005110050ee[*,871] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,871] units Angstroms features 32 28.53 5162.30081 5162.285 6.0 1 1 23 66.42 5187.71863 5187.746 6.0 1 1 31 116.45 5221.2664 5221.271 6.0 1 1 17 343.88 5373.46398 5373.494 6.0 1 1 5 415.80 5421.46184 5421.352 6.0 1 1 8 527.45 5495.81049 5495.874 6.0 1 1 43 622.27 5558.78529 5558.702 6.0 1 1 55 694.56 5606.68348 5606.733 6.0 1 1 53 820.13 5689.63532 5689.6401 6.0 1 1 8 acs: add; not Ar 895.82 5739.47423 5739.52 6.0 1 1 16 991.11 5802.04258 5802.08 6.0 1 1 8 acs: increase 1159.45 5912.05325 5912.085 6.0 1 1 47 1185.09 5928.74975 5928.8101 6.0 1 1 20 acs: add 1206.51 5942.67952 5942.6665 6.0 1 1 7 acs: add 1293.46 5999.13195 5998.999 6.0 1 1 7 weak 1315.69 6013.53192 6013.678 6.0 1 1 6 1344.46 6032.15344 6032.127 6.0 1 1 170 1361.79 6043.35632 6043.223 6.0 1 1 67 1386.69 6059.44078 6059.373 6.0 1 1 33 1458.17 6105.52999 6105.635 6.0 1 1 19 1520.42 6145.55878 6145.441 6.0 1 1 18 1757.11 6296.79266 6296.872 6.0 1 1 13 1872.07 6369.68751 6369.575 6.0 1 1 9 1895.70 6384.62692 6384.717 6.0 1 1 33 1945.80 6416.23811 6416.307 6.0 1 1 164 2247.15 6604.84717 6604.853 6.0 1 1 24 2364.08 6677.28777 6677.282 6.0 1 1 434 2486.88 6752.89692 6752.834 6.0 1 1 331 2680.79 6871.25681 6871.289 6.0 1 1 316 2836.63 6965.41795 6965.431 6.0 1 1 56184 2944.88 7030.2858 7030.251 6.0 1 1 319 3006.82 7067.19733 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.532470703125 3006.823486328125 6129.196061735004 953.574144173908 -14.52404861338008 -1.057106914644579 0.07705623236645968 -0.06877402449928283 # Thu 21:43:01 04-Jun-2020 begin identify mbxgpP202005110050ee[*,866] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,866] units Angstroms features 32 28.64 5162.27804 5162.285 6.0 1 1 23 66.49 5187.68441 5187.746 6.0 1 1 31 116.63 5221.31744 5221.271 6.0 1 1 17 344.09 5373.56935 5373.494 6.0 1 1 5 415.79 5421.41861 5421.352 6.0 1 1 8 527.42 5495.75865 5495.874 6.0 1 1 43 622.30 5558.77534 5558.702 6.0 1 1 55 694.61 5606.69031 5606.733 6.0 1 1 53 820.08 5689.57858 5689.6401 6.0 1 1 8 acs: add; not Ar 895.85 5739.46785 5739.52 6.0 1 1 16 991.14 5802.03162 5802.08 6.0 1 1 8 acs: increase 1159.62 5912.13006 5912.085 6.0 1 1 47 1185.18 5928.7683 5928.8101 6.0 1 1 20 acs: add 1206.50 5942.63925 5942.6665 6.0 1 1 7 acs: add 1293.50 5999.11931 5998.999 6.0 1 1 7 weak 1316.03 6013.71355 6013.678 6.0 1 1 6 1344.52 6032.15049 6032.127 6.0 1 1 170 1361.82 6043.33291 6043.223 6.0 1 1 67 1386.75 6059.44258 6059.373 6.0 1 1 33 1458.13 6105.46088 6105.635 6.0 1 1 19 1520.36 6145.47698 6145.441 6.0 1 1 18 1757.20 6296.80848 6296.872 6.0 1 1 13 1872.14 6369.68614 6369.575 6.0 1 1 9 1895.78 6384.62979 6384.717 6.0 1 1 33 1945.89 6416.25426 6416.307 6.0 1 1 164 2247.19 6604.83986 6604.853 6.0 1 1 24 2364.11 6677.27086 6677.282 6.0 1 1 434 2486.93 6752.89341 6752.834 6.0 1 1 331 2680.88 6871.2818 6871.289 6.0 1 1 316 2836.69 6965.43125 6965.431 6.0 1 1 56184 2944.87 7030.25668 7030.251 6.0 1 1 319 3006.88 7067.20666 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.63568115234375 3006.8798828125 6129.206751848912 953.5738067420898 -14.53143765573327 -1.041958917569534 0.06703472565905017 -0.06753515744689154 # Thu 21:43:01 04-Jun-2020 begin identify mbxgpP202005110050ee[*,861] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,861] units Angstroms features 32 28.74 5162.29311 5162.285 6.0 1 1 23 66.54 5187.66869 5187.746 6.0 1 1 31 116.70 5221.32371 5221.271 6.0 1 1 17 343.97 5373.4771 5373.494 6.0 1 1 5 415.88 5421.47225 5421.352 6.0 1 1 8 527.52 5495.82491 5495.874 6.0 1 1 43 622.34 5558.80108 5558.702 6.0 1 1 55 694.65 5606.72009 5606.733 6.0 1 1 53 819.97 5689.50508 5689.6401 6.0 1 1 8 acs: add; not Ar 895.83 5739.45268 5739.52 6.0 1 1 16 990.99 5801.92935 5802.08 6.0 1 1 8 acs: increase 1159.76 5912.21177 5912.085 6.0 1 1 47 1185.26 5928.81868 5928.8101 6.0 1 1 20 acs: add 1206.44 5942.59564 5942.6665 6.0 1 1 7 acs: add 1293.59 5999.17005 5998.999 6.0 1 1 7 weak 1315.91 6013.62934 6013.678 6.0 1 1 6 1344.54 6032.15568 6032.127 6.0 1 1 170 1361.86 6043.3547 6043.223 6.0 1 1 67 1386.74 6059.42358 6059.373 6.0 1 1 33 1458.36 6105.59907 6105.635 6.0 1 1 19 1520.28 6145.41136 6145.441 6.0 1 1 18 1757.25 6296.82144 6296.872 6.0 1 1 13 1871.96 6369.55687 6369.575 6.0 1 1 9 1895.90 6384.68831 6384.717 6.0 1 1 33 1945.92 6416.25564 6416.307 6.0 1 1 164 2247.26 6604.8586 6604.853 6.0 1 1 24 2364.20 6677.30122 6677.282 6.0 1 1 434 2486.93 6752.8622 6752.834 6.0 1 1 331 2680.95 6871.28866 6871.289 6.0 1 1 316 2836.75 6965.42597 6965.431 6.0 1 1 56184 2944.95 7030.26579 7030.251 6.0 1 1 319 3006.94 7067.20108 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.73650360107422 3006.9365234375 6129.233637908806 953.5496402725792 -14.54891512521227 -1.031314494969107 0.06237212017780723 -0.06434341945096083 # Thu 21:43:01 04-Jun-2020 begin identify mbxgpP202005110050ee[*,856] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,856] units Angstroms features 32 28.83 5162.3317 5162.285 6.0 1 1 23 66.59 5187.67744 5187.746 6.0 1 1 31 116.66 5221.27111 5221.271 6.0 1 1 17 343.98 5373.44929 5373.494 6.0 1 1 5 415.91 5421.46044 5421.352 6.0 1 1 8 527.61 5495.84648 5495.874 6.0 1 1 43 622.39 5558.79687 5558.702 6.0 1 1 55 694.72 5606.72787 5606.733 6.0 1 1 53 820.14 5689.5786 5689.6401 6.0 1 1 8 acs: add; not Ar 895.93 5739.47952 5739.52 6.0 1 1 16 991.07 5801.94736 5802.08 6.0 1 1 8 acs: increase 1159.71 5912.14452 5912.085 6.0 1 1 47 1185.24 5928.76537 5928.8101 6.0 1 1 20 acs: add 1206.55 5942.6294 5942.6665 6.0 1 1 7 acs: add 1293.93 5999.3523 5998.999 6.0 1 0 7 weak 1315.99 6013.64349 6013.678 6.0 1 1 6 1344.58 6032.14815 6032.127 6.0 1 1 170 1361.88 6043.32949 6043.223 6.0 1 1 67 1386.83 6059.44941 6059.373 6.0 1 1 33 1458.54 6105.67999 6105.635 6.0 1 1 19 1520.49 6145.51704 6145.441 6.0 1 1 18 1757.43 6296.90267 6296.872 6.0 1 1 13 1871.83 6369.4375 6369.575 6.0 1 1 9 1895.88 6384.6385 6384.717 6.0 1 1 33 1945.98 6416.25777 6416.307 6.0 1 1 164 2247.46 6604.93882 6604.853 6.0 1 1 24 2364.28 6677.31018 6677.282 6.0 1 1 434 2486.96 6752.84104 6752.834 6.0 1 1 331 2680.98 6871.26463 6871.289 6.0 1 1 316 2836.81 6965.41547 6965.431 6.0 1 1 56184 2945.06 7030.28621 7030.251 6.0 1 1 319 3007.00 7067.19838 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.82781982421875 3007. 6129.246853595367 953.5302785355304 -14.54751238297244 -1.033552078775004 0.06569925829714897 -0.06339062559060633 # Thu 21:43:01 04-Jun-2020 begin identify mbxgpP202005110050ee[*,851] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,851] units Angstroms features 32 28.78 5162.28489 5162.285 6.0 1 1 23 66.65 5187.70593 5187.746 6.0 1 1 31 116.72 5221.29469 5221.271 6.0 1 1 17 344.21 5373.5617 5373.494 6.0 1 1 5 415.86 5421.37028 5421.352 6.0 1 1 8 527.63 5495.79187 5495.874 6.0 1 1 43 622.46 5558.76567 5558.702 6.0 1 1 55 694.79 5606.68184 5606.733 6.0 1 1 53 820.42 5689.66292 5689.6401 6.0 1 1 8 acs: add; not Ar 896.06 5739.46636 5739.52 6.0 1 1 16 991.44 5802.08797 5802.08 6.0 1 1 8 acs: increase 1159.71 5912.0504 5912.085 6.0 1 1 47 1185.28 5928.70473 5928.8101 6.0 1 1 20 acs: add 1206.74 5942.66884 5942.6665 6.0 1 1 7 acs: add 1293.94 5999.28389 5998.999 6.0 1 0 7 weak 1316.25 6013.73282 6013.678 6.0 1 1 6 1344.63 6032.10417 6032.127 6.0 1 1 170 1361.95 6043.3066 6043.223 6.0 1 1 67 1386.92 6059.44065 6059.373 6.0 1 1 33 1458.59 6105.65351 6105.635 6.0 1 1 19 1520.60 6145.53275 6145.441 6.0 1 1 18 1757.40 6296.85768 6296.872 6.0 1 1 13 1871.86 6369.44539 6369.575 6.0 1 1 9 1895.94 6384.66619 6384.717 6.0 1 1 33 1946.05 6416.28943 6416.307 6.0 1 1 164 2247.42 6604.90254 6604.853 6.0 1 1 24 2364.33 6677.32024 6677.282 6.0 1 1 434 2487.05 6752.86388 6752.834 6.0 1 1 331 2681.05 6871.25571 6871.289 6.0 1 1 316 2836.87 6965.40127 6965.431 6.0 1 1 56184 2945.15 7030.29072 7030.251 6.0 1 1 319 3007.07 7067.20306 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.78242492675781 3007.072021484375 6129.209912680564 953.5694376592769 -14.53633891497525 -1.065316520440325 0.07040498565446811 -0.04503492266414788 # Thu 21:43:01 04-Jun-2020 begin identify mbxgpP202005110050ee[*,846] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,846] units Angstroms features 32 28.72 5162.20402 5162.285 6.0 1 1 23 66.68 5187.71001 5187.746 6.0 1 1 31 116.91 5221.42217 5221.271 6.0 1 1 17 344.70 5373.89978 5373.494 6.0 1 0 5 415.86 5421.37301 5421.352 6.0 1 1 8 527.73 5495.83321 5495.874 6.0 1 1 43 622.52 5558.75424 5558.702 6.0 1 1 55 694.83 5606.64337 5606.733 6.0 1 1 53 820.58 5689.67963 5689.6401 6.0 1 1 8 acs: add; not Ar 896.19 5739.458 5739.52 6.0 1 1 16 991.57 5802.06785 5802.08 6.0 1 1 8 acs: increase 1159.83 5912.03301 5912.085 6.0 1 1 47 1185.36 5928.6606 5928.8101 6.0 1 1 20 acs: add 1206.89 5942.67036 5942.6665 6.0 1 1 7 acs: add 1293.84 5999.13058 5998.999 6.0 1 1 7 weak 1316.48 6013.80675 6013.678 6.0 1 1 6 1344.71 6032.07837 6032.127 6.0 1 1 170 1362.09 6043.32484 6043.223 6.0 1 1 67 1387.01 6059.4302 6059.373 6.0 1 1 33 1458.64 6105.63312 6105.635 6.0 1 1 19 1520.57 6145.4755 6145.441 6.0 1 1 18 1757.36 6296.83891 6296.872 6.0 1 1 13 1871.75 6369.39702 6369.575 6.0 1 1 9 1895.89 6384.6619 6384.717 6.0 1 1 33 1946.09 6416.34844 6416.307 6.0 1 1 164 2247.32 6604.87002 6604.853 6.0 1 1 24 2364.31 6677.31837 6677.282 6.0 1 1 434 2487.16 6752.91273 6752.834 6.0 1 1 331 2681.14 6871.25826 6871.289 6.0 1 1 316 2836.94 6965.37782 6965.431 6.0 1 1 56184 2945.19 7030.27495 7030.251 6.0 1 1 319 3007.14 7067.22242 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.71661376953125 3007.135009765625 6129.17927061248 953.6073329035028 -14.53040090515964 -1.096783178186517 0.06435006199797803 -0.001349426016204624 # Thu 21:43:01 04-Jun-2020 begin identify mbxgpP202005110050ee[*,841] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,841] units Angstroms features 32 28.84 5162.25687 5162.285 6.0 1 1 23 66.70 5187.66903 5187.746 6.0 1 1 31 116.89 5221.33377 5221.271 6.0 1 1 17 344.66 5373.74968 5373.494 6.0 1 1 5 415.90 5421.28001 5421.352 6.0 1 1 8 527.81 5495.79049 5495.874 6.0 1 1 43 622.56 5558.70843 5558.702 6.0 1 1 55 694.88 5606.62153 5606.733 6.0 1 1 53 820.59 5689.6553 5689.6401 6.0 1 1 8 acs: add; not Ar 896.22 5739.46009 5739.52 6.0 1 1 16 991.58 5802.07472 5802.08 6.0 1 1 8 acs: increase 1159.93 5912.11162 5912.085 6.0 1 1 47 1185.47 5928.74507 5928.8101 6.0 1 1 20 acs: add 1206.61 5942.50073 5942.6665 6.0 1 1 7 acs: add 1294.00 5999.25371 5998.999 6.0 1 1 7 weak 1316.20 6013.64001 6013.678 6.0 1 1 6 1344.79 6032.14494 6032.127 6.0 1 1 170 1362.11 6043.34517 6043.223 6.0 1 1 67 1387.07 6059.47817 6059.373 6.0 1 1 33 1458.53 6105.56644 6105.635 6.0 1 1 19 1520.62 6145.50727 6145.441 6.0 1 1 18 1757.44 6296.86583 6296.872 6.0 1 1 13 1871.74 6369.35674 6369.575 6.0 1 1 9 1896.00 6384.68915 6384.717 6.0 1 1 33 1946.14 6416.33627 6416.307 6.0 1 1 164 2247.39 6604.86466 6604.853 6.0 1 1 24 2364.35 6677.29954 6677.282 6.0 1 1 434 2487.17 6752.88513 6752.834 6.0 1 1 331 2681.23 6871.29464 6871.289 6.0 1 1 316 2837.01 6965.40334 6965.431 6.0 1 1 56184 2945.25 7030.27475 7030.251 6.0 1 1 319 3007.19 7067.20056 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.83574295043945 3007.192626953125 6129.192540722537 953.6061900916281 -14.55121255332994 -1.098713490512224 0.08738848928547094 -0.03563085495175963 # Thu 21:43:01 04-Jun-2020 begin identify mbxgpP202005110050ee[*,836] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,836] units Angstroms features 32 28.91 5162.30435 5162.285 6.0 1 1 23 66.77 5187.71295 5187.746 6.0 1 1 31 116.81 5221.28031 5221.271 6.0 1 1 17 344.33 5373.54784 5373.494 6.0 1 1 5 415.85 5421.27315 5421.352 6.0 1 1 8 527.86 5495.8569 5495.874 6.0 1 1 43 622.62 5558.78683 5558.702 6.0 1 1 55 694.91 5606.67981 5606.733 6.0 1 1 53 820.68 5689.75255 5689.6401 6.0 1 1 8 acs: add; not Ar 896.14 5739.44484 5739.52 6.0 1 1 16 991.54 5802.0761 5802.08 6.0 1 1 8 acs: increase 1159.94 5912.12556 5912.085 6.0 1 1 47 1185.59 5928.83014 5928.8101 6.0 1 1 20 acs: add 1206.68 5942.55336 5942.6665 6.0 1 1 7 acs: add 1294.07 5999.28833 5998.999 6.0 1 0 7 weak 1315.98 6013.48452 6013.678 6.0 1 1 6 1344.83 6032.15636 6032.127 6.0 1 1 170 1362.10 6043.32294 6043.223 6.0 1 1 67 1387.03 6059.431 6059.373 6.0 1 1 33 1458.58 6105.5683 6105.635 6.0 1 1 19 1520.81 6145.5891 6145.441 6.0 1 1 18 1757.51 6296.84506 6296.872 6.0 1 1 13 1872.25 6369.6033 6369.575 6.0 1 1 9 1896.19 6384.73578 6384.717 6.0 1 1 33 1946.16 6416.2683 6416.307 6.0 1 1 164 2247.36 6604.77019 6604.853 6.0 1 1 24 2364.48 6677.31552 6677.282 6.0 1 1 434 2487.23 6752.86999 6752.834 6.0 1 1 331 2681.26 6871.2803 6871.289 6.0 1 1 316 2837.08 6965.41388 6965.431 6.0 1 1 56184 2945.36 7030.29884 7030.251 6.0 1 1 319 3007.26 7067.18662 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.90810966491699 3007.25732421875 6129.215679462307 953.5625635843356 -14.54556341593876 -1.069801737048357 0.07536846474047569 -0.05162452554133705 # Thu 21:43:01 04-Jun-2020 begin identify mbxgpP202005110050ee[*,831] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,831] units Angstroms features 32 28.91 5162.24908 5162.285 6.0 1 1 23 66.84 5187.72488 5187.746 6.0 1 1 31 116.89 5221.31845 5221.271 6.0 1 1 17 344.33 5373.56296 5373.494 6.0 1 1 5 415.92 5421.32623 5421.352 6.0 1 1 8 527.89 5495.86899 5495.874 6.0 1 1 43 622.65 5558.77703 5558.702 6.0 1 1 55 694.92 5606.64849 5606.733 6.0 1 1 53 820.74 5689.73781 5689.6401 6.0 1 1 8 acs: add; not Ar 896.13 5739.36552 5739.52 6.0 1 1 16 991.53 5801.98995 5802.08 6.0 1 1 8 acs: increase 1159.95 5912.0462 5912.085 6.0 1 1 47 1185.69 5928.80952 5928.8101 6.0 1 1 20 acs: add 1206.94 5942.63778 5942.6665 6.0 1 1 7 acs: add 1294.01 5999.17326 5998.999 6.0 1 1 7 weak 1316.38 6013.66778 6013.678 6.0 1 1 6 1344.90 6032.12858 6032.127 6.0 1 1 170 1362.14 6043.27688 6043.223 6.0 1 1 67 1387.11 6059.41254 6059.373 6.0 1 1 33 1458.59 6105.50977 6105.635 6.0 1 1 19 1520.97 6145.63475 6145.441 6.0 1 1 18 1757.57 6296.85634 6296.872 6.0 1 1 13 1872.00 6369.4336 6369.575 6.0 1 1 9 1896.13 6384.68864 6384.717 6.0 1 1 33 1946.31 6416.358 6416.307 6.0 1 1 164 2247.31 6604.74876 6604.853 6.0 1 1 24 2364.50 6677.32859 6677.282 6.0 1 1 434 2487.32 6752.91867 6752.834 6.0 1 1 331 2681.31 6871.27649 6871.289 6.0 1 1 316 2837.15 6965.40257 6965.431 6.0 1 1 56184 2945.47 7030.30742 7030.251 6.0 1 1 319 3007.33 7067.17817 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.90786743164063 3007.327880859375 6129.205858042412 953.5777187979628 -14.54375749592939 -1.089635958242812 0.05152397315128247 -0.02353351037601936 # Thu 21:43:01 04-Jun-2020 begin identify mbxgpP202005110050ee[*,826] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,826] units Angstroms features 32 29.07 5162.28304 5162.285 6.0 1 1 23 66.90 5187.68529 5187.746 6.0 1 1 31 117.00 5221.30317 5221.271 6.0 1 1 17 344.47 5373.5625 5373.494 6.0 1 1 5 416.15 5421.39635 5421.352 6.0 1 1 8 528.01 5495.87152 5495.874 6.0 1 1 43 622.70 5558.75068 5558.702 6.0 1 1 55 694.99 5606.64154 5606.733 6.0 1 1 53 820.63 5689.62803 5689.6401 6.0 1 1 8 acs: add; not Ar 896.23 5739.40223 5739.52 6.0 1 1 16 991.63 5802.03476 5802.08 6.0 1 1 8 acs: increase 1160.02 5912.07653 5912.085 6.0 1 1 47 1185.68 5928.78528 5928.8101 6.0 1 1 20 acs: add 1206.98 5942.64512 5942.6665 6.0 1 1 7 acs: add 1293.99 5999.14068 5998.999 6.0 1 1 7 weak 1316.39 6013.65347 6013.678 6.0 1 1 6 1344.98 6032.15343 6032.127 6.0 1 1 170 1362.27 6043.33646 6043.223 6.0 1 1 67 1387.16 6059.42077 6059.373 6.0 1 1 33 1458.68 6105.54503 6105.635 6.0 1 1 19 1520.88 6145.54418 6145.441 6.0 1 1 18 1757.62 6296.84026 6296.872 6.0 1 1 13 1872.08 6369.4263 6369.575 6.0 1 1 9 1896.25 6384.70972 6384.717 6.0 1 1 33 1946.43 6416.37547 6416.307 6.0 1 1 164 2247.42 6604.75592 6604.853 6.0 1 1 24 2364.55 6677.30414 6677.282 6.0 1 1 434 2487.39 6752.91132 6752.834 6.0 1 1 331 2681.39 6871.29332 6871.289 6.0 1 1 316 2837.21 6965.41569 6965.431 6.0 1 1 56184 2945.48 7030.28869 7030.251 6.0 1 1 319 3007.39 7067.18282 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 29.06544303894043 3007.388671875 6129.224612020928 953.5668509011129 -14.553892909487 -1.077219524587969 0.06221448717939466 -0.03974180306183898 # Thu 21:43:01 04-Jun-2020 begin identify mbxgpP202005110050ee[*,821] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,821] units Angstroms features 32 29.17 5162.30107 5162.285 6.0 1 1 23 66.97 5187.68767 5187.746 6.0 1 1 31 117.10 5221.32773 5221.271 6.0 1 1 17 344.25 5373.38949 5373.494 6.0 1 1 5 416.25 5421.43422 5421.352 6.0 1 1 8 528.10 5495.90715 5495.874 6.0 1 1 43 622.78 5558.78089 5558.702 6.0 1 1 55 695.07 5606.66521 5606.733 6.0 1 1 53 820.71 5689.64748 5689.6401 6.0 1 1 8 acs: add; not Ar 896.33 5739.43103 5739.52 6.0 1 1 16 991.74 5802.06895 5802.08 6.0 1 1 8 acs: increase 1160.17 5912.12663 5912.085 6.0 1 1 47 1185.75 5928.78146 5928.8101 6.0 1 1 20 acs: add 1206.95 5942.57123 5942.6665 6.0 1 1 7 acs: add 1294.06 5999.1278 5998.999 6.0 1 1 7 weak 1315.96 6013.31619 6013.678 6.0 1 0 6 1345.05 6032.14231 6032.127 6.0 1 1 170 1362.36 6043.33361 6043.223 6.0 1 1 67 1387.15 6059.35275 6059.373 6.0 1 1 33 1458.87 6105.59845 6105.635 6.0 1 1 19 1520.78 6145.4087 6145.441 6.0 1 1 18 1757.65 6296.78038 6296.872 6.0 1 1 13 1872.52 6369.62311 6369.575 6.0 1 1 9 1896.44 6384.74552 6384.717 6.0 1 1 33 1946.49 6416.33004 6416.307 6.0 1 1 164 2247.58 6604.7718 6604.853 6.0 1 1 24 2364.64 6677.27938 6677.282 6.0 1 1 434 2487.48 6752.89637 6752.834 6.0 1 1 331 2681.47 6871.28051 6871.289 6.0 1 1 316 2837.28 6965.41431 6965.431 6.0 1 1 56184 2945.52 7030.28149 7030.251 6.0 1 1 319 3007.46 7067.19899 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 29.17076873779297 3007.457763671875 6129.230545512486 953.542668075914 -14.53873417801512 -1.053149160307828 0.05821796817333619 -0.04055952495073137 # Thu 21:43:01 04-Jun-2020 begin identify mbxgpP202005110050ee[*,816] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,816] units Angstroms features 32 29.27 5162.31196 5162.285 6.0 1 1 23 67.06 5187.68686 5187.746 6.0 1 1 31 117.12 5221.26945 5221.271 6.0 1 1 17 344.60 5373.54955 5373.494 6.0 1 1 5 416.31 5421.40679 5421.352 6.0 1 1 8 528.10 5495.84882 5495.874 6.0 1 1 43 622.86 5558.78039 5558.702 6.0 1 1 55 695.11 5606.64839 5606.733 6.0 1 1 53 820.58 5689.52569 5689.6401 6.0 1 1 8 acs: add; not Ar 896.30 5739.38477 5739.52 6.0 1 1 16 991.99 5802.20362 5802.08 6.0 1 1 8 acs: increase 1160.32 5912.19956 5912.085 6.0 1 1 47 1185.90 5928.8506 5928.8101 6.0 1 1 20 acs: add 1207.01 5942.58815 5942.6665 6.0 1 1 7 acs: add 1294.17 5999.1689 5998.999 6.0 1 1 7 weak 1316.24 6013.46617 6013.678 6.0 1 1 6 1345.10 6032.14425 6032.127 6.0 1 1 170 1362.42 6043.34198 6043.223 6.0 1 1 67 1387.23 6059.36867 6059.373 6.0 1 1 33 1458.88 6105.5705 6105.635 6.0 1 1 19 1520.92 6145.4573 6145.441 6.0 1 1 18 1757.69 6296.75018 6296.872 6.0 1 1 13 1872.65 6369.64825 6369.575 6.0 1 1 9 1896.56 6384.76324 6384.717 6.0 1 1 33 1946.55 6416.30972 6416.307 6.0 1 1 164 2247.70 6604.79308 6604.853 6.0 1 1 24 2364.65 6677.24328 6677.282 6.0 1 1 434 2487.52 6752.88215 6752.834 6.0 1 1 331 2681.56 6871.31044 6871.289 6.0 1 1 316 2837.35 6965.42668 6965.431 6.0 1 1 56184 2945.57 7030.26698 7030.251 6.0 1 1 319 3007.55 7067.19734 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 29.26590156555176 3007.548583984375 6129.242462243036 953.5491483918185 -14.54599855624196 -1.05007206896609 0.05818581998883493 -0.05639014740232384 # Thu 21:43:01 04-Jun-2020 begin identify mbxgpP202005110050ee[*,811] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,811] units Angstroms features 32 29.29 5162.32197 5162.285 6.0 1 1 23 67.11 5187.69192 5187.746 6.0 1 1 31 117.07 5221.18919 5221.271 6.0 1 1 17 345.05 5373.75924 5373.494 6.0 1 1 5 416.37 5421.36109 5421.352 6.0 1 1 8 528.13 5495.79023 5495.874 6.0 1 1 43 622.95 5558.76903 5558.702 6.0 1 1 55 695.17 5606.62405 5606.733 6.0 1 1 53 820.63 5689.50688 5689.6401 6.0 1 1 8 acs: add; not Ar 896.34 5739.3636 5739.52 6.0 1 1 16 991.92 5802.11551 5802.08 6.0 1 1 8 acs: increase 1160.36 5912.17963 5912.085 6.0 1 1 47 1185.98 5928.86224 5928.8101 6.0 1 1 20 acs: add 1207.12 5942.60923 5942.6665 6.0 1 1 7 acs: add 1294.21 5999.14594 5998.999 6.0 1 1 7 weak 1316.74 6013.73691 6013.678 6.0 1 1 6 1345.21 6032.1617 6032.127 6.0 1 1 170 1362.48 6043.32728 6043.223 6.0 1 1 67 1387.29 6059.35497 6059.373 6.0 1 1 33 1458.89 6105.51593 6105.635 6.0 1 1 19 1521.02 6145.4569 6145.441 6.0 1 1 18 1757.71 6296.67813 6296.872 6.0 1 1 13 1872.86 6369.68991 6369.575 6.0 1 1 9 1896.66 6384.7387 6384.717 6.0 1 1 33 1946.59 6416.2436 6416.307 6.0 1 1 164 2247.95 6604.86963 6604.853 6.0 1 1 24 2364.73 6677.22602 6677.282 6.0 1 1 434 2487.57 6752.86248 6752.834 6.0 1 1 331 2681.61 6871.31437 6871.289 6.0 1 1 316 2837.43 6965.44582 6965.431 6.0 1 1 56184 2945.64 7030.26569 7030.251 6.0 1 1 319 3007.64 7067.1859 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 29.29361343383789 3007.635742187501 6129.221784821017 953.5697014207222 -14.53158967618296 -1.052818203269378 0.06374212315661482 -0.08491977237917981 # Thu 21:43:01 04-Jun-2020 begin identify mbxgpP202005110050ee[*,806] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,806] units Angstroms features 32 29.22 5162.25887 5162.285 6.0 1 1 23 67.22 5187.74735 5187.746 6.0 1 1 31 117.22 5221.28022 5221.271 6.0 1 1 17 344.81 5373.59073 5373.494 6.0 1 1 5 416.33 5421.31815 5421.352 6.0 1 1 8 528.19 5495.80944 5495.874 6.0 1 1 43 623.01 5558.78356 5558.702 6.0 1 1 55 695.28 5606.67143 5606.733 6.0 1 1 53 820.99 5689.70767 5689.6401 6.0 1 1 8 acs: add; not Ar 896.48 5739.41732 5739.52 6.0 1 1 16 991.80 5801.99961 5802.08 6.0 1 1 8 acs: increase 1160.34 5912.12645 5912.085 6.0 1 1 47 1186.00 5928.83707 5928.8101 6.0 1 1 20 acs: add 1207.07 5942.5414 5942.6665 6.0 1 1 7 acs: add 1294.31 5999.17281 5998.999 6.0 1 1 7 weak 1316.66 6013.65151 6013.678 6.0 1 1 6 1345.29 6032.17557 6032.127 6.0 1 1 170 1362.54 6043.32501 6043.223 6.0 1 1 67 1387.37 6059.36918 6059.373 6.0 1 1 33 1459.05 6105.57745 6105.635 6.0 1 1 19 1521.11 6145.47604 6145.441 6.0 1 1 18 1757.85 6296.7312 6296.872 6.0 1 1 13 1872.83 6369.63028 6369.575 6.0 1 1 9 1896.72 6384.73075 6384.717 6.0 1 1 33 1946.63 6416.22381 6416.307 6.0 1 1 164 2248.12 6604.91475 6604.853 6.0 1 1 24 2364.91 6677.26757 6677.282 6.0 1 1 434 2487.68 6752.86022 6752.834 6.0 1 1 331 2681.66 6871.26419 6871.289 6.0 1 1 316 2837.51 6965.42835 6965.431 6.0 1 1 56184 2945.72 7030.26964 7030.251 6.0 1 1 319 3007.72 7067.20613 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 29.22332191467285 3007.716552734375 6129.18528386079 953.5928516392336 -14.5255405348415 -1.045220552952995 0.07275347977912649 -0.07400108871081569 # Thu 21:43:01 04-Jun-2020 begin identify mbxgpP202005110050ee[*,801] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,801] units Angstroms features 32 29.25 5162.21675 5162.285 6.0 1 1 23 67.29 5187.7516 5187.746 6.0 1 1 31 117.38 5221.34906 5221.271 6.0 1 1 17 344.73 5373.51449 5373.494 6.0 1 1 5 416.42 5421.35687 5421.352 6.0 1 1 8 528.25 5495.82002 5495.874 6.0 1 1 43 623.10 5558.8039 5558.702 6.0 1 1 55 695.36 5606.67428 5606.733 6.0 1 1 53 820.95 5689.62398 5689.6401 6.0 1 1 8 acs: add; not Ar 896.60 5739.43189 5739.52 6.0 1 1 16 991.98 5802.04457 5802.08 6.0 1 1 8 acs: increase 1160.39 5912.08454 5912.085 6.0 1 1 47 1185.99 5928.74926 5928.8101 6.0 1 1 20 acs: add 1207.60 5942.80679 5942.6665 6.0 1 1 7 acs: add 1294.18 5999.01334 5998.999 6.0 1 1 7 weak 1316.83 6013.6825 6013.678 6.0 1 1 6 1345.31 6032.11007 6032.127 6.0 1 1 170 1362.60 6043.28993 6043.223 6.0 1 1 67 1387.54 6059.39971 6059.373 6.0 1 1 33 1459.25 6105.63356 6105.635 6.0 1 1 19 1521.20 6145.46804 6145.441 6.0 1 1 18 1758.03 6296.79654 6296.872 6.0 1 1 13 1872.79 6369.56286 6369.575 6.0 1 1 9 1896.81 6384.7453 6384.717 6.0 1 1 33 1946.71 6416.23402 6416.307 6.0 1 1 164 2248.09 6604.86752 6604.853 6.0 1 1 24 2365.00 6677.29751 6677.282 6.0 1 1 434 2487.74 6752.86121 6752.834 6.0 1 1 331 2681.75 6871.27981 6871.289 6.0 1 1 316 2837.57 6965.42077 6965.431 6.0 1 1 56184 2945.78 7030.26309 7030.251 6.0 1 1 319 3007.79 7067.20992 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 29.2487735748291 3007.791015625 6129.172440094461 953.6069665353028 -14.51741807853569 -1.050274642197749 0.05831406170134827 -0.06010460929906207 # Thu 21:43:01 04-Jun-2020 begin identify mbxgpP202005110050ee[*,796] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,796] units Angstroms features 32 29.35 5162.25192 5162.285 6.0 1 1 23 67.27 5187.70209 5187.746 6.0 1 1 31 117.43 5221.35047 5221.271 6.0 1 1 17 344.80 5373.53647 5373.494 6.0 1 1 5 416.47 5421.3632 5421.352 6.0 1 1 8 528.27 5495.80538 5495.874 6.0 1 1 43 623.15 5558.81173 5558.702 6.0 1 1 55 695.38 5606.6617 5606.733 6.0 1 1 53 820.97 5689.61502 5689.6401 6.0 1 1 8 acs: add; not Ar 896.65 5739.44128 5739.52 6.0 1 1 16 992.11 5802.10607 5802.08 6.0 1 1 8 acs: increase 1160.50 5912.13507 5912.085 6.0 1 1 47 1186.17 5928.84791 5928.8101 6.0 1 1 20 acs: add 1207.26 5942.5675 5942.6665 6.0 1 1 7 acs: add 1294.02 5998.88934 5998.999 6.0 1 1 7 weak 1316.76 6013.62281 6013.678 6.0 1 1 6 1345.41 6032.16155 6032.127 6.0 1 1 170 1362.65 6043.30879 6043.223 6.0 1 1 67 1387.59 6059.41966 6059.373 6.0 1 1 33 1459.38 6105.70904 6105.635 6.0 1 1 19 1521.36 6145.56171 6145.441 6.0 1 1 18 1758.08 6296.81422 6296.872 6.0 1 1 13 1872.74 6369.5166 6369.575 6.0 1 1 9 1896.75 6384.69048 6384.717 6.0 1 1 33 1946.82 6416.29051 6416.307 6.0 1 1 164 2248.08 6604.83541 6604.853 6.0 1 1 24 2365.06 6677.29523 6677.282 6.0 1 1 434 2487.81 6752.8612 6752.834 6.0 1 1 331 2681.89 6871.30433 6871.289 6.0 1 1 316 2837.66 6965.40586 6965.431 6.0 1 1 56184 2945.96 7030.29972 7030.251 6.0 1 1 319 3007.86 7067.18142 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 29.35234642028809 3007.863525390625 6129.193080369493 953.5763235374336 -14.53722833399554 -1.05454769359261 0.06082081303891355 -0.0570269441955633 # Thu 21:43:01 04-Jun-2020 begin identify mbxgpP202005110050ee[*,791] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,791] units Angstroms features 32 29.48 5162.26693 5162.285 6.0 1 1 23 67.34 5187.67918 5187.746 6.0 1 1 31 117.54 5221.35598 5221.271 6.0 1 1 17 344.88 5373.53733 5373.494 6.0 1 1 5 416.53 5421.35473 5421.352 6.0 1 1 8 528.34 5495.81487 5495.874 6.0 1 1 43 623.19 5558.80244 5558.702 6.0 1 1 55 695.48 5606.69603 5606.733 6.0 1 1 53 821.07 5689.64923 5689.6401 6.0 1 1 8 acs: add; not Ar 896.62 5739.38585 5739.52 6.0 1 1 16 992.15 5802.09848 5802.08 6.0 1 1 8 acs: increase 1160.52 5912.09788 5912.085 6.0 1 1 47 1186.21 5928.81792 5928.8101 6.0 1 1 20 acs: add 1207.24 5942.49667 5942.6665 6.0 1 1 7 acs: add 1294.40 5999.06915 5998.999 6.0 1 1 7 weak 1316.52 6013.39653 6013.678 6.0 1 0 6 1345.50 6032.14788 6032.127 6.0 1 1 170 1362.77 6043.31405 6043.223 6.0 1 1 67 1387.64 6059.37419 6059.373 6.0 1 1 33 1459.43 6105.6529 6105.635 6.0 1 1 19 1521.54 6145.58504 6145.441 6.0 1 1 18 1758.20 6296.77957 6296.872 6.0 1 1 13 1873.12 6369.64566 6369.575 6.0 1 1 9 1896.83 6384.6354 6384.717 6.0 1 1 33 1946.91 6416.23645 6416.307 6.0 1 1 164 2248.31 6604.88453 6604.853 6.0 1 1 24 2365.11 6677.25192 6677.282 6.0 1 1 434 2487.89 6752.84778 6752.834 6.0 1 1 331 2681.96 6871.30765 6871.289 6.0 1 1 316 2837.76 6965.43343 6965.431 6.0 1 1 56184 2946.04 7030.2948 7030.251 6.0 1 1 319 3007.96 7067.17178 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 29.4808177947998 3007.958984375 6129.201595060452 953.5604373631798 -14.52688913007112 -1.034679305245587 0.04464919472640765 -0.0733341103391613 # Thu 21:43:01 04-Jun-2020 begin identify mbxgpP202005110050ee[*,786] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,786] units Angstroms features 32 29.59 5162.28225 5162.285 6.0 1 1 23 67.45 5187.67963 5187.746 6.0 1 1 31 117.63 5221.32682 5221.271 6.0 1 1 17 345.15 5373.59901 5373.494 6.0 1 1 5 416.63 5421.309 5421.352 6.0 1 1 8 528.47 5495.79177 5495.874 6.0 1 1 43 623.32 5558.79605 5558.702 6.0 1 1 55 695.62 5606.70221 5606.733 6.0 1 1 53 821.19 5689.66357 5689.6401 6.0 1 1 8 acs: add; not Ar 896.79 5739.43792 5739.52 6.0 1 1 16 992.19 5802.07177 5802.08 6.0 1 1 8 acs: increase 1160.60 5912.11625 5912.085 6.0 1 1 47 1186.09 5928.71457 5928.8101 6.0 1 1 20 acs: add 1207.36 5942.54918 5942.6665 6.0 1 1 7 acs: add 1294.41 5999.0534 5998.999 6.0 1 1 7 weak 1316.55 6013.39499 6013.678 6.0 1 0 6 1345.55 6032.15521 6032.127 6.0 1 1 170 1362.85 6043.34276 6043.223 6.0 1 1 67 1387.76 6059.43234 6059.373 6.0 1 1 33 1459.37 6105.59117 6105.635 6.0 1 1 19 1521.56 6145.5722 6145.441 6.0 1 1 18 1758.20 6296.75215 6296.872 6.0 1 1 13 1873.15 6369.63269 6369.575 6.0 1 1 9 1896.94 6384.66977 6384.717 6.0 1 1 33 1947.01 6416.26307 6416.307 6.0 1 1 164 2248.38 6604.89238 6604.853 6.0 1 1 24 2365.13 6677.22708 6677.282 6.0 1 1 434 2487.96 6752.85712 6752.834 6.0 1 1 331 2681.99 6871.29495 6871.289 6.0 1 1 316 2837.85 6965.44708 6965.431 6.0 1 1 56184 2946.11 7030.28935 7030.251 6.0 1 1 319 3008.05 7067.17297 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 29.58774185180664 3008.048583984375 6129.209019829998 953.5786376308361 -14.5434728187685 -1.045792076651014 0.06206027797150333 -0.08748631928927246 # Thu 21:43:01 04-Jun-2020 begin identify mbxgpP202005110050ee[*,781] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,781] units Angstroms features 32 29.65 5162.27434 5162.285 6.0 1 1 23 67.56 5187.71225 5187.746 6.0 1 1 31 117.66 5221.30596 5221.271 6.0 1 1 17 345.20 5373.58697 5373.494 6.0 1 1 5 416.69 5421.2991 5421.352 6.0 1 1 8 528.57 5495.80647 5495.874 6.0 1 1 43 623.41 5558.79213 5558.702 6.0 1 1 55 695.70 5606.69558 5606.733 6.0 1 1 53 821.22 5689.61732 5689.6401 6.0 1 1 8 acs: add; not Ar 897.04 5739.54029 5739.52 6.0 1 1 16 992.23 5802.03808 5802.08 6.0 1 1 8 acs: increase 1160.77 5912.17096 5912.085 6.0 1 1 47 1186.27 5928.77909 5928.8101 6.0 1 1 20 acs: add 1207.37 5942.50162 5942.6665 6.0 1 1 7 acs: add 1294.34 5998.96539 5998.999 6.0 1 1 7 weak 1317.06 6013.68248 6013.678 6.0 1 1 6 1345.63 6032.17089 6032.127 6.0 1 1 170 1362.89 6043.32703 6043.223 6.0 1 1 67 1387.81 6059.42829 6059.373 6.0 1 1 33 1459.38 6105.5682 6105.635 6.0 1 1 19 1521.60 6145.57397 6145.441 6.0 1 1 18 1758.21 6296.74429 6296.872 6.0 1 1 13 1873.08 6369.57755 6369.575 6.0 1 1 9 1897.04 6384.72149 6384.717 6.0 1 1 33 1947.16 6416.34979 6416.307 6.0 1 1 164 2248.25 6604.78593 6604.853 6.0 1 1 24 2365.27 6677.27939 6677.282 6.0 1 1 434 2488.07 6752.88319 6752.834 6.0 1 1 331 2682.07 6871.281 6871.289 6.0 1 1 316 2837.93 6965.4322 6965.431 6.0 1 1 56184 2946.20 7030.29126 7030.251 6.0 1 1 319 3008.14 7067.18119 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 29.64769554138184 3008.138427734375 6129.211664310683 953.5879063855212 -14.55329885504208 -1.059262695375071 0.06940160925332228 -0.07521922311522794 # Thu 21:43:01 04-Jun-2020 begin identify mbxgpP202005110050ee[*,776] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,776] units Angstroms features 32 29.67 5162.25671 5162.285 6.0 1 1 23 67.66 5187.75844 5187.746 6.0 1 1 31 117.63 5221.28017 5221.271 6.0 1 1 17 345.08 5373.50918 5373.494 6.0 1 1 5 416.81 5421.37413 5421.352 6.0 1 1 8 528.68 5495.85385 5495.874 6.0 1 1 43 623.44 5558.77736 5558.702 6.0 1 1 55 695.76 5606.68129 5606.733 6.0 1 1 53 821.31 5689.60495 5689.6401 6.0 1 1 8 acs: add; not Ar 897.01 5739.43725 5739.52 6.0 1 1 16 992.51 5802.12952 5802.08 6.0 1 1 8 acs: increase 1160.90 5912.15707 5912.085 6.0 1 1 47 1186.42 5928.77816 5928.8101 6.0 1 1 20 acs: add 1207.61 5942.56043 5942.6665 6.0 1 1 7 acs: add 1294.56 5999.00701 5998.999 6.0 1 1 7 weak 1317.53 6013.88854 6013.678 6.0 1 0 6 1345.71 6032.1288 6032.127 6.0 1 1 170 1362.96 6043.27769 6043.223 6.0 1 1 67 1387.99 6059.45148 6059.373 6.0 1 1 33 1459.52 6105.57312 6105.635 6.0 1 1 19 1521.67 6145.53957 6145.441 6.0 1 1 18 1758.39 6296.80674 6296.872 6.0 1 1 13 1873.03 6369.4994 6369.575 6.0 1 1 9 1897.12 6384.72746 6384.717 6.0 1 1 33 1947.28 6416.38336 6416.307 6.0 1 1 164 2248.29 6604.77835 6604.853 6.0 1 1 24 2365.32 6677.27299 6677.282 6.0 1 1 434 2488.18 6752.89805 6752.834 6.0 1 1 331 2682.18 6871.29051 6871.289 6.0 1 1 316 2838.02 6965.42778 6965.431 6.0 1 1 56184 2946.22 7030.25882 7030.251 6.0 1 1 319 3008.23 7067.20605 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 29.6663703918457 3008.22802734375 6129.201958856997 953.5928022082051 -14.52920144373095 -1.0689358923542 0.05862261385845136 -0.04919582667784642 # Thu 21:43:01 04-Jun-2020 begin identify mbxgpP202005110050ee[*,771] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,771] units Angstroms features 32 29.68 5162.21499 5162.285 6.0 1 1 23 67.76 5187.78162 5187.746 6.0 1 1 31 117.73 5221.31124 5221.271 6.0 1 1 17 345.09 5373.49275 5373.494 6.0 1 1 5 416.82 5421.35985 5421.352 6.0 1 1 8 528.78 5495.8979 5495.874 6.0 1 1 43 623.51 5558.79075 5558.702 6.0 1 1 55 695.78 5606.66109 5606.733 6.0 1 1 53 821.38 5689.60519 5689.6401 6.0 1 1 8 acs: add; not Ar 897.06 5739.42206 5739.52 6.0 1 1 16 992.53 5802.0908 5802.08 6.0 1 1 8 acs: increase 1161.02 5912.1745 5912.085 6.0 1 1 47 1186.41 5928.70532 5928.8101 6.0 1 1 20 acs: add 1207.63 5942.50462 5942.6665 6.0 1 1 7 acs: add 1294.70 5999.02889 5998.999 6.0 1 1 7 weak 1317.66 6013.89612 6013.678 6.0 1 1 6 1345.77 6032.08741 6032.127 6.0 1 1 170 1363.05 6043.26056 6043.223 6.0 1 1 67 1388.10 6059.44692 6059.373 6.0 1 1 33 1459.67 6105.59156 6105.635 6.0 1 1 19 1521.78 6145.52635 6145.441 6.0 1 1 18 1758.45 6296.76133 6296.872 6.0 1 1 13 1873.39 6369.64414 6369.575 6.0 1 1 9 1897.11 6384.64292 6384.717 6.0 1 1 33 1947.29 6416.30801 6416.307 6.0 1 1 164 2248.49 6604.8304 6604.853 6.0 1 1 24 2365.37 6677.22901 6677.282 6.0 1 1 434 2488.29 6752.90232 6752.834 6.0 1 1 331 2682.31 6871.30495 6871.289 6.0 1 1 316 2838.12 6965.42275 6965.431 6.0 1 1 56184 2946.38 7030.2824 7030.251 6.0 1 1 319 3008.31 7067.18497 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 29.67780303955078 3008.312744140625 6129.174222117115 953.5939850544767 -14.51946876644046 -1.061332761656178 0.04522667155884666 -0.04765917641491366 # Thu 21:43:01 04-Jun-2020 begin identify mbxgpP202005110050ee[*,766] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,766] units Angstroms features 32 29.77 5162.2087 5162.285 6.0 1 1 23 67.82 5187.74746 5187.746 6.0 1 1 31 117.91 5221.35706 5221.271 6.0 1 1 17 345.30 5373.5562 5373.494 6.0 1 1 5 416.87 5421.31865 5421.352 6.0 1 1 8 528.81 5495.84988 5495.874 6.0 1 1 43 623.58 5558.77903 5558.702 6.0 1 1 55 695.82 5606.63508 5606.733 6.0 1 1 53 821.47 5689.62566 5689.6401 6.0 1 1 8 acs: add; not Ar 897.20 5739.47498 5739.52 6.0 1 1 16 992.57 5802.07717 5802.08 6.0 1 1 8 acs: increase 1161.02 5912.14008 5912.085 6.0 1 1 47 1186.67 5928.83753 5928.8101 6.0 1 1 20 acs: add 1207.66 5942.48657 5942.6665 6.0 1 1 7 acs: add 1294.82 5999.06215 5998.999 6.0 1 1 7 weak 1317.53 6013.77614 6013.678 6.0 1 1 6 1345.86 6032.1087 6032.127 6.0 1 1 170 1363.18 6043.30464 6043.223 6.0 1 1 67 1388.08 6059.38595 6059.373 6.0 1 1 33 1459.74 6105.5857 6105.635 6.0 1 1 19 1521.82 6145.50622 6145.441 6.0 1 1 18 1758.55 6296.75879 6296.872 6.0 1 1 13 1873.60 6369.71147 6369.575 6.0 1 1 9 1897.20 6384.63124 6384.717 6.0 1 1 33 1947.36 6416.28233 6416.307 6.0 1 1 164 2248.58 6604.81733 6604.853 6.0 1 1 24 2365.53 6677.26635 6677.282 6.0 1 1 434 2488.36 6752.88289 6752.834 6.0 1 1 331 2682.36 6871.28675 6871.289 6.0 1 1 316 2838.22 6965.4382 6965.431 6.0 1 1 56184 2946.46 7030.28211 7030.251 6.0 1 1 319 3008.40 7067.18272 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 29.77077865600586 3008.399658203125 6129.173159329374 953.5978237436631 -14.52579890434079 -1.050770392128037 0.0483482818656741 -0.06004136935901779 # Thu 21:43:01 04-Jun-2020 begin identify mbxgpP202005110050ee[*,761] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,761] units Angstroms features 32 29.89 5162.22275 5162.285 6.0 1 1 23 67.87 5187.72271 5187.746 6.0 1 1 31 118.03 5221.37758 5221.271 6.0 1 1 17 345.29 5373.50287 5373.494 6.0 1 1 5 417.05 5421.38777 5421.352 6.0 1 1 8 528.86 5495.82945 5495.874 6.0 1 1 43 623.63 5558.75526 5558.702 6.0 1 1 55 695.89 5606.6204 5606.733 6.0 1 1 53 821.56 5689.61828 5689.6401 6.0 1 1 8 acs: add; not Ar 897.29 5739.46742 5739.52 6.0 1 1 16 992.77 5802.14604 5802.08 6.0 1 1 8 acs: increase 1161.09 5912.11776 5912.085 6.0 1 1 47 1186.72 5928.80286 5928.8101 6.0 1 1 20 acs: add 1207.68 5942.43719 5942.6665 6.0 1 0 7 acs: add 1294.82 5999.006 5998.999 6.0 1 1 7 weak 1317.65 6013.79186 6013.678 6.0 1 1 6 1345.96 6032.11516 6032.127 6.0 1 1 170 1363.23 6043.28094 6043.223 6.0 1 1 67 1388.04 6059.30662 6059.373 6.0 1 1 33 1459.78 6105.55938 6105.635 6.0 1 1 19 1521.83 6145.4583 6145.441 6.0 1 1 18 1758.85 6296.90775 6296.872 6.0 1 1 13 1873.51 6369.6151 6369.575 6.0 1 1 9 1897.16 6384.5659 6384.717 6.0 1 1 33 1947.49 6416.32538 6416.307 6.0 1 1 164 2248.78 6604.88932 6604.853 6.0 1 1 24 2365.63 6677.27498 6677.282 6.0 1 1 434 2488.41 6752.85387 6752.834 6.0 1 1 331 2682.45 6871.27204 6871.289 6.0 1 1 316 2838.30 6965.42019 6965.431 6.0 1 1 56184 2946.58 7030.29253 7030.251 6.0 1 1 319 3008.50 7067.1907 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 29.89334869384766 3008.500488281251 6129.187576225242 953.5861197723736 -14.53128069790023 -1.053624988733866 0.05042896457767127 -0.04852063134820956 # Thu 21:43:01 04-Jun-2020 begin identify mbxgpP202005110050ee[*,756] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,756] units Angstroms features 32 30.03 5162.23544 5162.285 6.0 1 1 23 68.02 5187.7303 5187.746 6.0 1 1 31 118.12 5221.33481 5221.271 6.0 1 1 17 345.51 5373.54139 5373.494 6.0 1 1 5 417.20 5421.39066 5421.352 6.0 1 1 8 528.93 5495.79777 5495.874 6.0 1 1 43 623.70 5558.73912 5558.702 6.0 1 1 55 696.07 5606.68975 5606.733 6.0 1 1 53 821.67 5689.66132 5689.6401 6.0 1 1 8 acs: add; not Ar 897.27 5739.43487 5739.52 6.0 1 1 16 992.66 5802.05915 5802.08 6.0 1 1 8 acs: increase 1161.20 5912.18269 5912.085 6.0 1 1 47 1186.68 5928.77033 5928.8101 6.0 1 1 20 acs: add 1207.92 5942.58812 5942.6665 6.0 1 1 7 acs: add 1294.92 5999.0609 5998.999 6.0 1 1 7 weak 1318.10 6014.07458 6013.678 6.0 1 0 6 1346.06 6032.16215 6032.127 6.0 1 1 170 1363.29 6043.30259 6043.223 6.0 1 1 67 1388.14 6059.35254 6059.373 6.0 1 1 33 1459.81 6105.56189 6105.635 6.0 1 1 19 1521.93 6145.49851 6145.441 6.0 1 1 18 1758.94 6296.91763 6296.872 6.0 1 1 13 1873.51 6369.55254 6369.575 6.0 1 1 9 1897.44 6384.68246 6384.717 6.0 1 1 33 1947.52 6416.28393 6416.307 6.0 1 1 164 2248.79 6604.83271 6604.853 6.0 1 1 24 2365.68 6677.24553 6677.282 6.0 1 1 434 2488.51 6752.86609 6752.834 6.0 1 1 331 2682.59 6871.31502 6871.289 6.0 1 1 316 2838.40 6965.43346 6965.431 6.0 1 1 56184 2946.66 7030.28276 7030.251 6.0 1 1 319 3008.62 7067.17926 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 30.02926254272461 3008.6171875 6129.207736557497 953.5898215169444 -14.55742348805063 -1.043787290169655 0.05703574218452879 -0.0741239254596544 # Thu 21:43:01 04-Jun-2020 begin identify mbxgpP202005110050ee[*,751] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,751] units Angstroms features 32 30.14 5162.28135 5162.285 6.0 1 1 23 68.01 5187.6926 5187.746 6.0 1 1 31 118.08 5221.28236 5221.271 6.0 1 1 17 345.78 5373.67835 5373.494 6.0 1 1 5 417.18 5421.32375 5421.352 6.0 1 1 8 529.00 5495.7852 5495.874 6.0 1 1 43 623.79 5558.73177 5558.702 6.0 1 1 55 696.21 5606.70764 5606.733 6.0 1 1 53 821.86 5689.6996 5689.6401 6.0 1 1 8 acs: add; not Ar 897.31 5739.37399 5739.52 6.0 1 1 16 992.66 5801.96341 5802.08 6.0 1 1 8 acs: increase 1161.25 5912.11601 5912.085 6.0 1 1 47 1186.80 5928.74959 5928.8101 6.0 1 1 20 acs: add 1208.26 5942.71399 5942.6665 6.0 1 1 7 acs: add 1295.07 5999.05803 5998.999 6.0 1 1 7 weak 1317.89 6013.841 6013.678 6.0 1 1 6 1346.16 6032.13194 6032.127 6.0 1 1 170 1363.43 6043.302 6043.223 6.0 1 1 67 1388.28 6059.35125 6059.373 6.0 1 1 33 1460.01 6105.59629 6105.635 6.0 1 1 19 1522.00 6145.44963 6145.441 6.0 1 1 18 1758.77 6296.72957 6296.872 6.0 1 1 13 1873.81 6369.67388 6369.575 6.0 1 1 9 1897.64 6384.73647 6384.717 6.0 1 1 33 1947.58 6416.25067 6416.307 6.0 1 1 164 2248.85 6604.81497 6604.853 6.0 1 1 24 2365.73 6677.22723 6677.282 6.0 1 1 434 2488.62 6752.88747 6752.834 6.0 1 1 331 2682.68 6871.32305 6871.289 6.0 1 1 316 2838.50 6965.44499 6965.431 6.0 1 1 56184 2946.70 7030.25194 7030.251 6.0 1 1 319 3008.74 7067.19372 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 30.14163398742676 3008.73583984375 6129.222788257031 953.5848163004126 -14.53442665977943 -1.058801302615592 0.04917336500013021 -0.06983223249611887 # Thu 21:43:01 04-Jun-2020 begin identify mbxgpP202005110050ee[*,746] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,746] units Angstroms features 32 30.20 5162.27599 5162.285 6.0 1 1 23 68.06 5187.69001 5187.746 6.0 1 1 31 118.22 5221.34308 5221.271 6.0 1 1 17 345.61 5373.54471 5373.494 6.0 1 1 5 417.18 5421.30119 5421.352 6.0 1 1 8 529.13 5495.83852 5495.874 6.0 1 1 43 623.90 5558.76808 5558.702 6.0 1 1 55 696.25 5606.69034 5606.733 6.0 1 1 53 821.96 5689.71171 5689.6401 6.0 1 1 8 acs: add; not Ar 897.51 5739.44607 5739.52 6.0 1 1 16 992.92 5802.07326 5802.08 6.0 1 1 8 acs: increase 1161.29 5912.07395 5912.085 6.0 1 1 47 1186.90 5928.75026 5928.8101 6.0 1 1 20 acs: add 1208.31 5942.67655 5942.6665 6.0 1 1 7 acs: add 1295.07 5998.98901 5998.999 6.0 1 1 7 weak 1317.80 6013.7107 6013.678 6.0 1 1 6 1346.25 6032.11976 6032.127 6.0 1 1 170 1363.52 6043.28523 6043.223 6.0 1 1 67 1388.42 6059.36958 6059.373 6.0 1 1 33 1460.09 6105.57326 6105.635 6.0 1 1 19 1522.27 6145.55258 6145.441 6.0 1 1 18 1758.98 6296.80128 6296.872 6.0 1 1 13 1873.98 6369.72153 6369.575 6.0 1 1 9 1897.58 6384.6397 6384.717 6.0 1 1 33 1947.72 6416.28258 6416.307 6.0 1 1 164 2248.96 6604.82831 6604.853 6.0 1 1 24 2365.81 6677.21225 6677.282 6.0 1 1 434 2488.74 6752.89498 6752.834 6.0 1 1 331 2682.76 6871.30147 6871.289 6.0 1 1 316 2838.60 6965.42793 6965.431 6.0 1 1 56184 2946.88 7030.28775 7030.251 6.0 1 1 319 3008.83 7067.1821 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 30.20126533508301 3008.833984375 6129.217151955433 953.5726298343949 -14.52899494687955 -1.058988533355256 0.04089044603350799 -0.06058384716630315 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,741] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,741] units Angstroms features 32 30.25 5162.24882 5162.285 6.0 1 1 23 68.17 5187.70094 5187.746 6.0 1 1 31 118.37 5221.37584 5221.271 6.0 1 1 17 345.68 5373.52211 5373.494 6.0 1 1 5 417.27 5421.296 5421.352 6.0 1 1 8 529.23 5495.84138 5495.874 6.0 1 1 43 624.01 5558.77519 5558.702 6.0 1 1 55 696.31 5606.66989 5606.733 6.0 1 1 53 822.14 5689.77301 5689.6401 6.0 1 1 8 acs: add; not Ar 897.53 5739.39858 5739.52 6.0 1 1 16 993.10 5802.12878 5802.08 6.0 1 1 8 acs: increase 1161.36 5912.05937 5912.085 6.0 1 1 47 1187.00 5928.75163 5928.8101 6.0 1 1 20 acs: add 1208.33 5942.62578 5942.6665 6.0 1 1 7 acs: add 1294.99 5998.87401 5998.999 6.0 1 1 7 weak 1318.01 6013.78563 6013.678 6.0 1 1 6 1346.36 6032.12695 6032.127 6.0 1 1 170 1363.64 6043.29653 6043.223 6.0 1 1 67 1388.52 6059.37097 6059.373 6.0 1 1 33 1460.13 6105.53453 6105.635 6.0 1 1 19 1522.48 6145.61711 6145.441 6.0 1 1 18 1759.27 6296.90692 6296.872 6.0 1 1 13 1874.01 6369.65608 6369.575 6.0 1 1 9 1897.69 6384.62593 6384.717 6.0 1 1 33 1947.84 6416.27438 6416.307 6.0 1 1 164 2249.03 6604.77861 6604.853 6.0 1 1 24 2366.01 6677.24862 6677.282 6.0 1 1 434 2488.88 6752.89296 6752.834 6.0 1 1 331 2682.92 6871.31945 6871.289 6.0 1 1 316 2838.70 6965.4228 6965.431 6.0 1 1 56184 2946.97 7030.27965 7030.251 6.0 1 1 319 3008.93 7067.18525 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 30.25331687927246 3008.926025390625 6129.194320344699 953.5783869728001 -14.52322692450828 -1.048168411119641 0.04594017769260366 -0.0620064928774583 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,736] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,736] units Angstroms features 32 30.31 5162.24831 5162.285 6.0 1 1 23 68.26 5187.71609 5187.746 6.0 1 1 31 118.36 5221.32213 5221.271 6.0 1 1 17 345.90 5373.6064 5373.494 6.0 1 1 5 417.41 5421.32101 5421.352 6.0 1 1 8 529.30 5495.81787 5495.874 6.0 1 1 43 624.12 5558.77708 5558.702 6.0 1 1 55 696.39 5606.65515 5606.733 6.0 1 1 53 822.17 5689.7309 5689.6401 6.0 1 1 8 acs: add; not Ar 897.57 5739.3696 5739.52 6.0 1 1 16 993.01 5802.01819 5802.08 6.0 1 1 8 acs: increase 1161.47 5912.08631 5912.085 6.0 1 1 47 1187.02 5928.7226 5928.8101 6.0 1 1 20 acs: add 1208.47 5942.67498 5942.6665 6.0 1 1 7 acs: add 1295.18 5998.95904 5998.999 6.0 1 1 7 weak 1318.13 6013.82827 6013.678 6.0 1 1 6 1346.46 6032.15778 6032.127 6.0 1 1 170 1363.75 6043.33751 6043.223 6.0 1 1 67 1388.64 6059.41346 6059.373 6.0 1 1 33 1460.22 6105.56521 6105.635 6.0 1 1 19 1522.39 6145.53494 6145.441 6.0 1 1 18 1759.20 6296.83907 6296.872 6.0 1 1 13 1873.95 6369.59028 6369.575 6.0 1 1 9 1897.68 6384.59358 6384.717 6.0 1 1 33 1947.89 6416.27302 6416.307 6.0 1 1 164 2249.24 6604.86425 6604.853 6.0 1 1 24 2366.14 6677.27301 6677.282 6.0 1 1 434 2488.97 6752.88627 6752.834 6.0 1 1 331 2683.00 6871.29403 6871.289 6.0 1 1 316 2838.81 6965.41601 6965.431 6.0 1 1 56184 2947.06 7030.27704 7030.251 6.0 1 1 319 3009.03 7067.19431 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 30.3070240020752 3009.025390625 6129.190094043652 953.58747099988 -14.53221155918356 -1.056108770259102 0.06342539583015077 -0.05836081789220509 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,731] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,731] units Angstroms features 32 30.42 5162.25801 5162.285 6.0 1 1 23 68.37 5187.73593 5187.746 6.0 1 1 31 118.38 5221.28491 5221.271 6.0 1 1 17 345.98 5373.62023 5373.494 6.0 1 1 5 417.47 5421.32455 5421.352 6.0 1 1 8 529.31 5495.78499 5495.874 6.0 1 1 43 624.18 5558.77614 5558.702 6.0 1 1 55 696.51 5606.69107 5606.733 6.0 1 1 53 822.12 5689.64749 5689.6401 6.0 1 1 8 acs: add; not Ar 897.74 5739.43463 5739.52 6.0 1 1 16 993.13 5802.05117 5802.08 6.0 1 1 8 acs: increase 1161.56 5912.1 5912.085 6.0 1 1 47 1187.08 5928.7139 5928.8101 6.0 1 1 20 acs: add 1208.61 5942.72484 5942.6665 6.0 1 1 7 acs: add 1295.73 5999.27937 5998.999 6.0 1 0 7 weak 1317.85 6013.60457 6013.678 6.0 1 1 6 1346.55 6032.17739 6032.127 6.0 1 1 170 1363.82 6043.34319 6043.223 6.0 1 1 67 1388.75 6059.44944 6059.373 6.0 1 1 33 1460.36 6105.61725 6105.635 6.0 1 1 19 1522.48 6145.56204 6145.441 6.0 1 1 18 1759.18 6296.80199 6296.872 6.0 1 1 13 1873.66 6369.38787 6369.575 6.0 1 1 9 1897.89 6384.70035 6384.717 6.0 1 1 33 1948.03 6416.33912 6416.307 6.0 1 1 164 2249.37 6604.91296 6604.853 6.0 1 1 24 2366.23 6677.28459 6677.282 6.0 1 1 434 2489.06 6752.88703 6752.834 6.0 1 1 331 2683.03 6871.24872 6871.289 6.0 1 1 316 2838.93 6965.42445 6965.431 6.0 1 1 56184 2947.13 7030.26062 7030.251 6.0 1 1 319 3009.14 7067.21526 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 30.41792678833007 3009.13916015625 6129.216237099744 953.5809155399241 -14.54511322960441 -1.056393740136311 0.06551200871810526 -0.04589706791670907 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,726] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,726] units Angstroms features 32 30.60 5162.29911 5162.285 6.0 1 1 23 68.47 5187.72537 5187.746 6.0 1 1 31 118.45 5221.26814 5221.271 6.0 1 1 17 345.88 5373.5057 5373.494 6.0 1 1 5 417.63 5421.38515 5421.352 6.0 1 1 8 529.41 5495.81119 5495.874 6.0 1 1 43 624.23 5558.77121 5558.702 6.0 1 1 55 696.59 5606.70087 5606.733 6.0 1 1 53 822.16 5689.62225 5689.6401 6.0 1 1 8 acs: add; not Ar 897.91 5739.48931 5739.52 6.0 1 1 16 993.33 5802.12044 5802.08 6.0 1 1 8 acs: increase 1161.69 5912.11436 5912.085 6.0 1 1 47 1187.23 5928.74017 5928.8101 6.0 1 1 20 acs: add 1208.69 5942.69428 5942.6665 6.0 1 1 7 acs: add 1295.77 5999.21959 5998.999 6.0 1 0 7 weak 1317.88 6013.5362 6013.678 6.0 1 1 6 1346.63 6032.14341 6032.127 6.0 1 1 170 1363.91 6043.31396 6043.223 6.0 1 1 67 1388.85 6059.42072 6059.373 6.0 1 1 33 1460.49 6105.60458 6105.635 6.0 1 1 19 1522.63 6145.56001 6145.441 6.0 1 1 18 1759.32 6296.77813 6296.872 6.0 1 1 13 1873.99 6369.48614 6369.575 6.0 1 1 9 1898.14 6384.75037 6384.717 6.0 1 1 33 1948.20 6416.33636 6416.307 6.0 1 1 164 2249.49 6604.88867 6604.853 6.0 1 1 24 2366.35 6677.26948 6677.282 6.0 1 1 434 2489.17 6752.87074 6752.834 6.0 1 1 331 2683.16 6871.25215 6871.289 6.0 1 1 316 2839.04 6965.423 6965.431 6.0 1 1 56184 2947.27 7030.27144 7030.251 6.0 1 1 319 3009.26 7067.21179 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 30.59823417663574 3009.261962890625 6129.238713627427 953.5445168825262 -14.53475470441133 -1.038986612717244 0.05148947260592426 -0.04918721099482146 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,721] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,721] units Angstroms features 32 30.63 5162.25401 5162.285 6.0 1 1 23 68.54 5187.7147 5187.746 6.0 1 1 31 118.66 5221.34981 5221.271 6.0 1 1 17 345.82 5373.42471 5373.494 6.0 1 1 5 417.75 5421.42252 5421.352 6.0 1 1 8 529.57 5495.86708 5495.874 6.0 1 1 43 624.37 5558.81027 5558.702 6.0 1 1 55 696.63 5606.67357 5606.733 6.0 1 1 53 822.26 5689.62993 5689.6401 6.0 1 1 8 acs: add; not Ar 897.96 5739.45803 5739.52 6.0 1 1 16 993.25 5801.99555 5802.08 6.0 1 1 8 acs: increase 1161.90 5912.16696 5912.085 6.0 1 1 47 1187.28 5928.68656 5928.8101 6.0 1 1 20 acs: add 1208.54 5942.51437 5942.6665 6.0 1 1 7 acs: add 1295.81 5999.15588 5998.999 6.0 1 1 7 weak 1318.53 6013.86657 6013.678 6.0 1 1 6 1346.74 6032.11942 6032.127 6.0 1 1 170 1364.02 6043.29097 6043.223 6.0 1 1 67 1388.92 6059.37306 6059.373 6.0 1 1 33 1460.50 6105.51353 6105.635 6.0 1 1 19 1522.77 6145.54883 6145.441 6.0 1 1 18 1759.44 6296.7587 6296.872 6.0 1 1 13 1874.37 6369.62937 6369.575 6.0 1 1 9 1898.24 6384.71601 6384.717 6.0 1 1 33 1948.23 6416.26294 6416.307 6.0 1 1 164 2249.49 6604.81406 6604.853 6.0 1 1 24 2366.50 6677.29709 6677.282 6.0 1 1 434 2489.23 6752.85002 6752.834 6.0 1 1 331 2683.33 6871.30202 6871.289 6.0 1 1 316 2839.15 6965.42569 6965.431 6.0 1 1 56184 2947.44 7030.29168 7030.251 6.0 1 1 319 3009.36 7067.17979 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 30.63272094726562 3009.360595703125 6129.210259895082 953.5528815602148 -14.52618345217189 -1.037237459892485 0.03282176899349333 -0.05275417537611865 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,716] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,716] units Angstroms features 32 30.71 5162.25892 5162.285 6.0 1 1 23 68.57 5187.68092 5187.746 6.0 1 1 31 118.80 5221.3886 5221.271 6.0 1 1 17 345.92 5373.4165 5373.494 6.0 1 1 5 417.87 5421.42879 5421.352 6.0 1 1 8 529.66 5495.84968 5495.874 6.0 1 1 43 624.47 5558.80038 5558.702 6.0 1 1 55 696.77 5606.68586 5606.733 6.0 1 1 53 822.39 5689.63135 5689.6401 6.0 1 1 8 acs: add; not Ar 898.00 5739.39922 5739.52 6.0 1 1 16 993.54 5802.10465 5802.08 6.0 1 1 8 acs: increase 1162.00 5912.15011 5912.085 6.0 1 1 47 1187.44 5928.7118 5928.8101 6.0 1 1 20 acs: add 1208.61 5942.4803 5942.6665 6.0 1 1 7 acs: add 1296.00 5999.2034 5998.999 6.0 1 1 7 weak 1318.55 6013.80507 6013.678 6.0 1 1 6 1346.84 6032.10735 6032.127 6.0 1 1 170 1364.15 6043.29946 6043.223 6.0 1 1 67 1389.09 6059.40731 6059.373 6.0 1 1 33 1460.50 6105.44715 6105.635 6.0 1 1 19 1522.87 6145.54128 6145.441 6.0 1 1 18 1759.58 6296.77873 6296.872 6.0 1 1 13 1874.60 6369.70613 6369.575 6.0 1 1 9 1898.31 6384.69022 6384.717 6.0 1 1 33 1948.31 6416.23926 6416.307 6.0 1 1 164 2249.64 6604.82314 6604.853 6.0 1 1 24 2366.62 6677.2816 6677.282 6.0 1 1 434 2489.35 6752.82744 6752.834 6.0 1 1 331 2683.54 6871.33096 6871.289 6.0 1 1 316 2839.28 6965.41347 6965.431 6.0 1 1 56184 2947.58 7030.29949 7030.251 6.0 1 1 319 3009.47 7067.17517 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 30.70695114135743 3009.4697265625 6129.193484392972 953.5474720470776 -14.51969797426992 -1.040656598234118 0.04325818133645475 -0.04868760117328451 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,711] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,711] units Angstroms features 32 30.82 5162.25933 5162.285 6.0 1 1 23 68.73 5187.7074 5187.746 6.0 1 1 31 118.87 5221.34788 5221.271 6.0 1 1 17 346.13 5373.45595 5373.494 6.0 1 1 5 418.02 5421.425 5421.352 6.0 1 1 8 529.78 5495.83018 5495.874 6.0 1 1 43 624.58 5558.7781 5558.702 6.0 1 1 55 696.93 5606.69926 5606.733 6.0 1 1 53 822.46 5689.59507 5689.6401 6.0 1 1 8 acs: add; not Ar 898.16 5739.42585 5739.52 6.0 1 1 16 993.66 5802.1096 5802.08 6.0 1 1 8 acs: increase 1162.01 5912.09721 5912.085 6.0 1 1 47 1187.55 5928.72291 5928.8101 6.0 1 1 20 acs: add 1208.91 5942.61509 5942.6665 6.0 1 1 7 acs: add 1295.94 5999.10388 5998.999 6.0 1 1 7 weak 1318.74 6013.8734 6013.678 6.0 1 1 6 1346.94 6032.11913 6032.127 6.0 1 1 170 1364.25 6043.30775 6043.223 6.0 1 1 67 1389.08 6059.34712 6059.373 6.0 1 1 33 1460.72 6105.53408 6105.635 6.0 1 1 19 1520.21 6143.78107 6145.441 6.0 1 0 18 1759.60 6296.73498 6296.872 6.0 1 1 13 1874.65 6369.6824 6369.575 6.0 1 1 9 1898.40 6384.69252 6384.717 6.0 1 1 33 1948.48 6416.29124 6416.307 6.0 1 1 164 2249.85 6604.88401 6604.853 6.0 1 1 24 2366.67 6677.24509 6677.282 6.0 1 1 434 2489.48 6752.83568 6752.834 6.0 1 1 331 2683.62 6871.30719 6871.289 6.0 1 1 316 2839.41 6965.41289 6965.431 6.0 1 1 56184 2947.71 7030.30162 7030.251 6.0 1 1 319 3009.61 7067.1809 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 30.81851196289063 3009.61279296875 6129.198862099072 953.5623221319108 -14.53257947102223 -1.04829980128138 0.05383344315072231 -0.05323436826791939 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,706] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,706] units Angstroms features 32 30.89 5162.23323 5162.285 6.0 1 1 23 68.90 5187.75022 5187.746 6.0 1 1 31 118.96 5221.33017 5221.271 6.0 1 1 17 346.33 5373.52374 5373.494 6.0 1 1 5 417.94 5421.30569 5421.352 6.0 1 1 8 529.89 5495.84595 5495.874 6.0 1 1 43 624.71 5558.81105 5558.702 6.0 1 1 55 697.06 5606.73264 5606.733 6.0 1 1 53 822.56 5689.6184 5689.6401 6.0 1 1 8 acs: add; not Ar 898.30 5739.4727 5739.52 6.0 1 1 16 993.52 5801.96919 5802.08 6.0 1 1 8 acs: increase 1162.15 5912.13692 5912.085 6.0 1 1 47 1187.62 5928.71536 5928.8101 6.0 1 1 20 acs: add 1208.99 5942.61412 5942.6665 6.0 1 1 7 acs: add 1296.00 5999.08316 5998.999 6.0 1 1 7 weak 1318.97 6013.96206 6013.678 6.0 1 0 6 1347.11 6032.17007 6032.127 6.0 1 1 170 1364.41 6043.3502 6043.223 6.0 1 1 67 1389.26 6059.40119 6059.373 6.0 1 1 33 1461.01 6105.65353 6105.635 6.0 1 1 19 1520.25 6143.73644 6145.441 6.0 1 0 18 1759.81 6296.78976 6296.872 6.0 1 1 13 1874.61 6369.5699 6369.575 6.0 1 1 9 1898.52 6384.68454 6384.717 6.0 1 1 33 1948.61 6416.29229 6416.307 6.0 1 1 164 2250.01 6604.90581 6604.853 6.0 1 1 24 2366.79 6677.24297 6677.282 6.0 1 1 434 2489.60 6752.84129 6752.834 6.0 1 1 331 2683.72 6871.30143 6871.289 6.0 1 1 316 2839.55 6965.42396 6965.431 6.0 1 1 56184 2947.85 7030.29509 7030.251 6.0 1 1 319 3009.77 7067.18012 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 30.88989448547364 3009.77490234375 6129.201851342382 953.578503777298 -14.54200398127953 -1.042735028374826 0.04682840170758568 -0.06232024344974849 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,701] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,701] units Angstroms features 32 31.08 5162.27767 5162.285 6.0 1 1 23 68.93 5187.69293 5187.746 6.0 1 1 31 119.06 5221.33226 5221.271 6.0 1 1 17 346.45 5373.53986 5373.494 6.0 1 1 5 418.05 5421.31257 5421.352 6.0 1 1 8 530.00 5495.84767 5495.874 6.0 1 1 43 624.85 5558.8206 5558.702 6.0 1 1 55 697.15 5606.71299 5606.733 6.0 1 1 53 822.59 5689.54774 5689.6401 6.0 1 1 8 acs: add; not Ar 898.44 5739.47746 5739.52 6.0 1 1 16 993.77 5802.04543 5802.08 6.0 1 1 8 acs: increase 1162.25 5912.10994 5912.085 6.0 1 1 47 1187.80 5928.74414 5928.8101 6.0 1 1 20 acs: add 1209.04 5942.55381 5942.6665 6.0 1 1 7 acs: add 1296.30 5999.1915 5998.999 6.0 1 1 7 weak 1318.78 6013.74943 6013.678 6.0 1 1 6 1347.22 6032.15177 6032.127 6.0 1 1 170 1364.52 6043.33943 6043.223 6.0 1 1 67 1389.40 6059.40448 6059.373 6.0 1 1 33 1460.88 6105.48578 6105.635 6.0 1 1 19 1523.11 6145.49335 6145.441 6.0 1 1 18 1759.97 6296.81399 6296.872 6.0 1 1 13 1874.65 6369.52438 6369.575 6.0 1 1 9 1898.66 6384.70002 6384.717 6.0 1 1 33 1948.69 6416.2631 6416.307 6.0 1 1 164 2250.21 6604.94785 6604.853 6.0 1 1 24 2366.99 6677.27151 6677.282 6.0 1 1 434 2489.76 6752.83763 6752.834 6.0 1 1 331 2683.87 6871.28434 6871.289 6.0 1 1 316 2839.66 6965.39463 6965.431 6.0 1 1 56184 2947.99 7030.29908 7030.251 6.0 1 1 319 3009.91 7067.19636 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 31.0775260925293 3009.911132812501 6129.223038633097 953.5476556728443 -14.53890931852057 -1.039228820648945 0.05288862363897989 -0.0490809142949132 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,696] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,696] units Angstroms features 32 31.20 5162.30943 5162.285 6.0 1 1 23 68.98 5187.65629 5187.746 6.0 1 1 31 119.16 5221.30233 5221.271 6.0 1 1 17 346.76 5373.62279 5373.494 6.0 1 1 5 418.24 5421.32907 5421.352 6.0 1 1 8 530.12 5495.82485 5495.874 6.0 1 1 43 624.94 5558.80137 5558.702 6.0 1 1 55 697.18 5606.66293 5606.733 6.0 1 1 53 822.64 5689.5269 5689.6401 6.0 1 1 8 acs: add; not Ar 898.47 5739.45029 5739.52 6.0 1 1 16 993.93 5802.11174 5802.08 6.0 1 1 8 acs: increase 1162.32 5912.12582 5912.085 6.0 1 1 47 1187.91 5928.78141 5928.8101 6.0 1 1 20 acs: add 1209.26 5942.66938 5942.6665 6.0 1 1 7 acs: add 1296.55 5999.31994 5998.999 6.0 1 0 7 weak 1318.84 6013.75112 6013.678 6.0 1 1 6 1347.26 6032.13779 6032.127 6.0 1 1 170 1364.55 6043.31323 6043.223 6.0 1 1 67 1389.39 6059.35822 6059.373 6.0 1 1 33 1461.05 6105.54319 6105.635 6.0 1 1 19 1523.32 6145.57295 6145.441 6.0 1 1 18 1760.11 6296.82322 6296.872 6.0 1 1 13 1874.85 6369.55782 6369.575 6.0 1 1 9 1898.74 6384.65898 6384.717 6.0 1 1 33 1948.80 6416.23926 6416.307 6.0 1 1 164 2250.40 6604.97401 6604.853 6.0 1 1 24 2367.06 6677.2374 6677.282 6.0 1 1 434 2489.84 6752.82542 6752.834 6.0 1 1 331 2683.96 6871.30012 6871.289 6.0 1 1 316 2839.77 6965.41972 6965.431 6.0 1 1 56184 2948.07 7030.29281 7030.251 6.0 1 1 319 3010.02 7067.18483 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 31.20093727111816 3010.024169921875 6129.22832639448 953.553156310235 -14.5432169276644 -1.034221955373947 0.06201890883410339 -0.08123700829963809 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,691] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,691] units Angstroms features 32 31.20 5162.25567 5162.285 6.0 1 1 23 69.08 5187.67008 5187.746 6.0 1 1 31 119.29 5221.33491 5221.271 6.0 1 1 17 346.89 5373.64789 5373.494 6.0 1 1 5 418.40 5421.36626 5421.352 6.0 1 1 8 530.26 5495.84475 5495.874 6.0 1 1 43 625.03 5558.77643 5558.702 6.0 1 1 55 697.27 5606.62715 5606.733 6.0 1 1 53 822.87 5689.57675 5689.6401 6.0 1 1 8 acs: add; not Ar 898.45 5739.33254 5739.52 6.0 1 1 16 994.02 5802.05193 5802.08 6.0 1 1 8 acs: increase 1162.49 5912.10475 5912.085 6.0 1 1 47 1188.10 5928.77157 5928.8101 6.0 1 1 20 acs: add 1209.44 5942.64655 5942.6665 6.0 1 1 7 acs: add 1296.58 5999.19806 5998.999 6.0 1 1 7 weak 1319.27 6013.89028 6013.678 6.0 1 1 6 1347.36 6032.06319 6032.127 6.0 1 1 170 1364.73 6043.28334 6043.223 6.0 1 1 67 1389.58 6059.33662 6059.373 6.0 1 1 33 1461.31 6105.56353 6105.635 6.0 1 1 19 1523.53 6145.5567 6145.441 6.0 1 1 18 1760.13 6296.69265 6296.872 6.0 1 1 13 1875.44 6369.79607 6369.575 6.0 1 1 9 1898.87 6384.60849 6384.717 6.0 1 1 33 1948.90 6416.1795 6416.307 6.0 1 1 164 2250.42 6604.90103 6604.853 6.0 1 1 24 2367.10 6677.19209 6677.282 6.0 1 1 434 2489.98 6752.85351 6752.834 6.0 1 1 331 2684.11 6871.34904 6871.289 6.0 1 1 316 2839.90 6965.44025 6965.431 6.0 1 1 56184 2948.24 7030.3038 7030.251 6.0 1 1 319 3010.15 7067.14832 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 31.20195388793945 3010.146240234375 6129.178796683805 953.5835405272582 -14.51147645707991 -1.047692530443277 0.03467969486619646 -0.08952295787086452 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,686] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,686] units Angstroms features 32 31.28 5162.24184 5162.285 6.0 1 1 23 69.16 5187.64239 5187.746 6.0 1 1 31 119.49 5221.37958 5221.271 6.0 1 1 17 347.15 5373.70819 5373.494 6.0 1 1 5 418.52 5421.33086 5421.352 6.0 1 1 8 530.37 5495.81246 5495.874 6.0 1 1 43 625.13 5558.74184 5558.702 6.0 1 1 55 697.41 5606.62686 5606.733 6.0 1 1 53 823.00 5689.57681 5689.6401 6.0 1 1 8 acs: add; not Ar 898.64 5739.37622 5739.52 6.0 1 1 16 994.20 5802.10395 5802.08 6.0 1 1 8 acs: increase 1162.61 5912.12678 5912.085 6.0 1 1 47 1188.16 5928.75501 5928.8101 6.0 1 1 20 acs: add 1209.44 5942.5969 5942.6665 6.0 1 1 7 acs: add 1296.51 5999.10518 5998.999 6.0 1 1 7 weak 1319.19 6013.79159 6013.678 6.0 1 1 6 1347.52 6032.1195 6032.127 6.0 1 1 170 1364.87 6043.33506 6043.223 6.0 1 1 67 1389.68 6059.35372 6059.373 6.0 1 1 33 1461.44 6105.60652 6105.635 6.0 1 1 19 1523.60 6145.56688 6145.441 6.0 1 1 18 1760.27 6296.74384 6296.872 6.0 1 1 13 1875.37 6369.71377 6369.575 6.0 1 1 9 1899.02 6384.65682 6384.717 6.0 1 1 33 1948.99 6416.18996 6416.307 6.0 1 1 164 2250.41 6604.83257 6604.853 6.0 1 1 24 2367.24 6677.21228 6677.282 6.0 1 1 434 2490.10 6752.86128 6752.834 6.0 1 1 331 2684.27 6871.36993 6871.289 6.0 1 1 316 2840.04 6965.44524 6965.431 6.0 1 1 56184 2948.34 7030.29162 7030.251 6.0 1 1 319 3010.26 7067.14823 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 31.28062438964844 3010.26220703125 6129.167973268205 953.604441817094 -14.52681543122333 -1.057974345950103 0.05387742876054181 -0.09327255538309676 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,681] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,681] units Angstroms features 32 31.48 5162.27784 5162.285 6.0 1 1 23 69.28 5187.6382 5187.746 6.0 1 1 31 119.56 5221.35342 5221.271 6.0 1 1 17 347.20 5373.68483 5373.494 6.0 1 1 5 418.57 5421.3052 5421.352 6.0 1 1 8 530.47 5495.80961 5495.874 6.0 1 1 43 625.24 5558.7402 5558.702 6.0 1 1 55 697.55 5606.64053 5606.733 6.0 1 1 53 823.24 5689.65917 5689.6401 6.0 1 1 8 acs: add; not Ar 898.78 5739.39175 5739.52 6.0 1 1 16 994.31 5802.09694 5802.08 6.0 1 1 8 acs: increase 1162.72 5912.12835 5912.085 6.0 1 1 47 1188.21 5928.72156 5928.8101 6.0 1 1 20 acs: add 1209.60 5942.63435 5942.6665 6.0 1 1 7 acs: add 1296.57 5999.08133 5998.999 6.0 1 1 7 weak 1319.12 6013.68652 6013.678 6.0 1 1 6 1347.65 6032.14819 6032.127 6.0 1 1 170 1365.02 6043.37472 6043.223 6.0 1 1 67 1389.73 6059.33442 6059.373 6.0 1 1 33 1461.51 6105.60924 6105.635 6.0 1 1 19 1523.61 6145.53286 6145.441 6.0 1 1 18 1760.51 6296.87205 6296.872 6.0 1 1 13 1875.05 6369.49012 6369.575 6.0 1 1 9 1899.09 6384.68871 6384.717 6.0 1 1 33 1949.18 6416.28802 6416.307 6.0 1 1 164 2250.48 6604.84389 6604.853 6.0 1 1 24 2367.37 6677.25054 6677.282 6.0 1 1 434 2490.19 6752.85917 6752.834 6.0 1 1 331 2684.34 6871.33414 6871.289 6.0 1 1 316 2840.16 6965.44573 6965.431 6.0 1 1 56184 2948.36 7030.25001 7030.251 6.0 1 1 319 3010.39 7067.1921 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 31.48026847839355 3010.39453125 6129.215384495686 953.590421135629 -14.53951156628048 -1.062069796165821 0.05909441680926291 -0.07122192201056258 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,676] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,676] units Angstroms features 32 31.58 5162.28287 5162.285 6.0 1 1 23 69.39 5187.64883 5187.746 6.0 1 1 31 119.60 5221.30502 5221.271 6.0 1 1 17 347.51 5373.79966 5373.494 6.0 1 1 5 418.63 5421.2599 5421.352 6.0 1 1 8 530.54 5495.77014 5495.874 6.0 1 1 43 625.37 5558.74479 5558.702 6.0 1 1 55 697.67 5606.64082 5606.733 6.0 1 1 53 823.41 5689.69485 5689.6401 6.0 1 1 8 acs: add; not Ar 898.90 5739.39411 5739.52 6.0 1 1 16 994.23 5801.976 5802.08 6.0 1 1 8 acs: increase 1162.86 5912.15017 5912.085 6.0 1 1 47 1188.37 5928.75747 5928.8101 6.0 1 1 20 acs: add 1209.62 5942.57852 5942.6665 6.0 1 1 7 acs: add 1296.84 5999.19192 5998.999 6.0 1 1 7 weak 1319.23 6013.69548 6013.678 6.0 1 1 6 1347.73 6032.13265 6032.127 6.0 1 1 170 1365.13 6043.37975 6043.223 6.0 1 1 67 1389.85 6059.34897 6059.373 6.0 1 1 33 1461.50 6105.5382 6105.635 6.0 1 1 19 1523.80 6145.58404 6145.441 6.0 1 1 18 1760.76 6296.9576 6296.872 6.0 1 1 13 1874.93 6369.34194 6369.575 6.0 1 1 9 1899.19 6384.67359 6384.717 6.0 1 1 33 1949.35 6416.31896 6416.307 6.0 1 1 164 2250.62 6604.84983 6604.853 6.0 1 1 24 2367.53 6677.26968 6677.282 6.0 1 1 434 2490.31 6752.85144 6752.834 6.0 1 1 331 2684.49 6871.34524 6871.289 6.0 1 1 316 2840.29 6965.44665 6965.431 6.0 1 1 56184 2948.48 7030.23795 7030.251 6.0 1 1 319 3010.55 7067.19666 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 31.57508850097656 3010.545166015625 6129.216498934897 953.5997163298848 -14.54347227727553 -1.064476978281177 0.0667378825251781 -0.07834011847035771 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,671] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,671] units Angstroms features 32 31.70 5162.28065 5162.285 6.0 1 1 23 69.53 5187.66607 5187.746 6.0 1 1 31 119.67 5221.30086 5221.271 6.0 1 1 17 347.45 5373.73616 5373.494 6.0 1 1 5 418.72 5421.29266 5421.352 6.0 1 1 8 530.60 5495.77452 5495.874 6.0 1 1 43 625.45 5558.754 5558.702 6.0 1 1 55 697.82 5606.69479 5606.733 6.0 1 1 53 823.38 5689.60974 5689.6401 6.0 1 1 8 acs: add; not Ar 899.09 5739.44732 5739.52 6.0 1 1 16 994.38 5801.98899 5802.08 6.0 1 1 8 acs: increase 1162.90 5912.0789 5912.085 6.0 1 1 47 1188.53 5928.76018 5928.8101 6.0 1 1 20 acs: add 1209.75 5942.56204 5942.6665 6.0 1 1 7 acs: add 1297.08 5999.23962 5998.999 6.0 1 1 7 weak 1319.48 6013.74629 6013.678 6.0 1 1 6 1347.88 6032.1162 6032.127 6.0 1 1 170 1365.14 6043.27325 6043.223 6.0 1 1 67 1390.11 6059.40438 6059.373 6.0 1 1 33 1461.74 6105.57579 6105.635 6.0 1 1 19 1524.05 6145.63288 6145.441 6.0 1 1 18 1760.69 6296.80199 6296.872 6.0 1 1 13 1875.33 6369.47977 6369.575 6.0 1 1 9 1899.36 6384.66418 6384.717 6.0 1 1 33 1949.43 6416.25654 6416.307 6.0 1 1 164 2250.85 6604.88716 6604.853 6.0 1 1 24 2367.72 6677.28408 6677.282 6.0 1 1 434 2490.48 6752.85048 6752.834 6.0 1 1 331 2684.61 6871.31955 6871.289 6.0 1 1 316 2840.42 6965.43117 6965.431 6.0 1 1 56184 2948.66 7030.25847 7030.251 6.0 1 1 319 3010.68 7067.19501 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 31.69879531860352 3010.680419921875 6129.21601783664 953.5733828373995 -14.52776471081853 -1.048882717361001 0.04957495735587226 -0.06731776534508546 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,666] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,666] units Angstroms features 32 31.81 5162.27663 5162.285 6.0 1 1 23 69.67 5187.70009 5187.746 6.0 1 1 31 119.77 5221.314 5221.271 6.0 1 1 17 347.17 5373.52813 5373.494 6.0 1 1 5 418.89 5421.38139 5421.352 6.0 1 1 8 530.74 5495.84331 5495.874 6.0 1 1 43 625.56 5558.79133 5558.702 6.0 1 1 55 697.87 5606.67888 5606.733 6.0 1 1 53 823.38 5689.5515 5689.6401 6.0 1 1 8 acs: add; not Ar 899.18 5739.44287 5739.52 6.0 1 1 16 994.70 5802.12408 5802.08 6.0 1 1 8 acs: increase 1163.06 5912.09682 5912.085 6.0 1 1 47 1188.77 5928.82699 5928.8101 6.0 1 1 20 acs: add 1209.91 5942.57351 5942.6665 6.0 1 1 7 acs: add 1296.98 5999.08012 5998.999 6.0 1 1 7 weak 1319.44 6013.6259 6013.678 6.0 1 1 6 1348.05 6032.13653 6032.127 6.0 1 1 170 1365.30 6043.28634 6043.223 6.0 1 1 67 1390.33 6059.44811 6059.373 6.0 1 1 33 1461.88 6105.5677 6105.635 6.0 1 1 19 1524.15 6145.59878 6145.441 6.0 1 1 18 1760.76 6296.74955 6296.872 6.0 1 1 13 1875.64 6369.58538 6369.575 6.0 1 1 9 1899.58 6384.71823 6384.717 6.0 1 1 33 1949.53 6416.23236 6416.307 6.0 1 1 164 2251.01 6604.91013 6604.853 6.0 1 1 24 2367.79 6677.24326 6677.282 6.0 1 1 434 2490.63 6752.86145 6752.834 6.0 1 1 331 2684.71 6871.29621 6871.289 6.0 1 1 316 2840.56 6965.43105 6965.431 6.0 1 1 56184 2948.78 7030.25701 7030.251 6.0 1 1 319 3010.82 7067.20604 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 31.80507278442383 3010.818603515625 6129.224611911434 953.5599362851664 -14.51700786982791 -1.038878884962218 0.03372904322166953 -0.0563548870663013 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,661] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,661] units Angstroms features 32 31.85 5162.24782 5162.285 6.0 1 1 23 69.78 5187.72135 5187.746 6.0 1 1 31 119.90 5221.35002 5221.271 6.0 1 1 17 347.13 5373.44466 5373.494 6.0 1 1 5 419.03 5421.41333 5421.352 6.0 1 1 8 530.86 5495.85731 5495.874 6.0 1 1 43 625.69 5558.80166 5558.702 6.0 1 1 55 697.98 5606.67671 5606.733 6.0 1 1 53 823.54 5689.5736 5689.6401 6.0 1 1 8 acs: add; not Ar 899.31 5739.44121 5739.52 6.0 1 1 16 994.73 5802.06072 5802.08 6.0 1 1 8 acs: increase 1163.30 5912.16837 5912.085 6.0 1 1 47 1188.83 5928.78795 5928.8101 6.0 1 1 20 acs: add 1210.76 5943.04764 5942.6665 6.0 1 0 7 acs: add 1296.95 5998.98213 5998.999 6.0 1 1 7 weak 1319.64 6013.67812 6013.678 6.0 1 1 6 1348.17 6032.13753 6032.127 6.0 1 1 170 1365.48 6043.32802 6043.223 6.0 1 1 67 1390.33 6059.37653 6059.373 6.0 1 1 33 1462.00 6105.58006 6105.635 6.0 1 1 19 1524.17 6145.54805 6145.441 6.0 1 1 18 1761.02 6296.85798 6296.872 6.0 1 1 13 1875.63 6369.52123 6369.575 6.0 1 1 9 1899.54 6384.63423 6384.717 6.0 1 1 33 1949.66 6416.25836 6416.307 6.0 1 1 164 2251.28 6605.00232 6604.853 6.0 1 1 24 2367.89 6677.22636 6677.282 6.0 1 1 434 2490.75 6752.84103 6752.834 6.0 1 1 331 2684.86 6871.28511 6871.289 6.0 1 1 316 2840.71 6965.41947 6965.431 6.0 1 1 56184 2948.95 7030.26589 7030.251 6.0 1 1 319 3010.95 7067.21009 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 31.84901428222656 3010.951171875 6129.207040299066 953.5677218018303 -14.51889120676955 -1.044226596078558 0.04080301333344242 -0.04236157451068224 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,656] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,656] units Angstroms features 32 31.99 5162.27893 5162.285 6.0 1 1 23 69.85 5187.69381 5187.746 6.0 1 1 31 119.99 5221.33421 5221.271 6.0 1 1 17 347.35 5373.49436 5373.494 6.0 1 1 5 419.13 5421.37989 5421.352 6.0 1 1 8 530.96 5495.82153 5495.874 6.0 1 1 43 625.81 5558.78518 5558.702 6.0 1 1 55 698.19 5606.72517 5606.733 6.0 1 1 53 823.74 5689.6252 5689.6401 6.0 1 1 8 acs: add; not Ar 899.43 5739.44613 5739.52 6.0 1 1 16 994.74 5801.99458 5802.08 6.0 1 1 8 acs: increase 1163.33 5912.13139 5912.085 6.0 1 1 47 1188.88 5928.76735 5928.8101 6.0 1 1 20 acs: add 1210.78 5943.0095 5942.6665 6.0 1 0 7 acs: add 1297.14 5999.05872 5998.999 6.0 1 1 7 weak 1319.81 6013.7432 6013.678 6.0 1 1 6 1348.27 6032.15701 6032.127 6.0 1 1 170 1365.51 6043.30739 6043.223 6.0 1 1 67 1390.38 6059.36916 6059.373 6.0 1 1 33 1462.04 6105.56598 6105.635 6.0 1 1 19 1524.06 6145.44095 6145.441 6.0 1 1 18 1761.18 6296.92754 6296.872 6.0 1 1 13 1875.65 6369.50216 6369.575 6.0 1 1 9 1899.55 6384.60652 6384.717 6.0 1 1 33 1949.82 6416.32329 6416.307 6.0 1 1 164 2251.23 6604.91203 6604.853 6.0 1 1 24 2368.09 6677.27945 6677.282 6.0 1 1 434 2490.91 6752.86214 6752.834 6.0 1 1 331 2684.97 6871.26488 6871.289 6.0 1 1 316 2840.86 6965.41697 6965.431 6.0 1 1 56184 2949.11 7030.27476 7030.251 6.0 1 1 319 3011.09 7067.20733 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 31.98814582824707 3011.087890625001 6129.221807191014 953.5627614872776 -14.53827871369871 -1.057017283088676 0.05960244747922546 -0.04154591358445374 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,651] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,651] units Angstroms features 32 32.12 5162.295 5162.285 6.0 1 1 23 69.95 5187.67101 5187.746 6.0 1 1 31 120.15 5221.33022 5221.271 6.0 1 1 17 347.61 5373.54255 5373.494 6.0 1 1 5 419.22 5421.33392 5421.352 6.0 1 1 8 531.07 5495.82031 5495.874 6.0 1 1 43 625.90 5558.7952 5558.702 6.0 1 1 55 698.26 5606.74018 5606.733 6.0 1 1 53 823.81 5689.66137 5689.6401 6.0 1 1 8 acs: add; not Ar 899.34 5739.38276 5739.52 6.0 1 1 16 994.73 5801.99584 5802.08 6.0 1 1 8 acs: increase 1163.35 5912.13856 5912.085 6.0 1 1 47 1188.93 5928.79144 5928.8101 6.0 1 1 20 acs: add 1210.36 5942.72318 5942.6665 6.0 1 1 7 acs: add 1297.63 5999.35329 5998.999 6.0 1 0 7 weak 1319.59 6013.56634 6013.678 6.0 1 1 6 1348.36 6032.17892 6032.127 6.0 1 1 170 1365.65 6043.34972 6043.223 6.0 1 1 67 1390.56 6059.43407 6059.373 6.0 1 1 33 1462.18 6105.58702 6105.635 6.0 1 1 19 1524.21 6145.44857 6145.441 6.0 1 1 18 1761.21 6296.80539 6296.872 6.0 1 1 13 1876.26 6369.72636 6369.575 6.0 1 1 9 1899.85 6384.6316 6384.717 6.0 1 1 33 1949.99 6416.26373 6416.307 6.0 1 1 164 2251.35 6604.83393 6604.853 6.0 1 1 24 2368.25 6677.24611 6677.282 6.0 1 1 434 2491.08 6752.8708 6752.834 6.0 1 1 331 2685.12 6871.29643 6871.289 6.0 1 1 316 2841.00 6965.44706 6965.431 6.0 1 1 56184 2949.24 7030.26689 7030.251 6.0 1 1 319 3011.27 7067.1902 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 32.11632537841797 3011.267822265625 6129.231235890835 953.564445530856 -14.54617444644973 -1.021018991127951 0.05754181003761262 -0.09582743897168194 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,646] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,646] units Angstroms features 32 32.17 5162.2389 5162.285 6.0 1 1 23 70.12 5187.70346 5187.746 6.0 1 1 31 120.29 5221.34992 5221.271 6.0 1 1 17 347.76 5373.57732 5373.494 6.0 1 1 5 419.34 5421.34811 5421.352 6.0 1 1 8 531.22 5495.84258 5495.874 6.0 1 1 43 626.00 5558.77648 5558.702 6.0 1 1 55 698.31 5606.67477 5606.733 6.0 1 1 53 823.91 5689.62023 5689.6401 6.0 1 1 8 acs: add; not Ar 899.50 5739.37138 5739.52 6.0 1 1 16 995.05 5802.0767 5802.08 6.0 1 1 8 acs: increase 1163.45 5912.06942 5912.085 6.0 1 1 47 1188.99 5928.68896 5928.8101 6.0 1 1 20 acs: add 1210.47 5942.65975 5942.6665 6.0 1 1 7 acs: add 1297.49 5999.11795 5998.999 6.0 1 1 7 weak 1320.22 6013.83722 6013.678 6.0 1 1 6 1348.50 6032.12624 6032.127 6.0 1 1 170 1365.80 6043.31098 6043.223 6.0 1 1 67 1390.74 6059.41168 6059.373 6.0 1 1 33 1462.31 6105.53172 6105.635 6.0 1 1 19 1524.55 6145.53132 6145.441 6.0 1 1 18 1761.37 6296.78188 6296.872 6.0 1 1 13 1876.46 6369.7339 6369.575 6.0 1 1 9 1899.92 6384.55556 6384.717 6.0 1 1 33 1950.11 6416.22146 6416.307 6.0 1 1 164 2251.63 6604.9076 6604.853 6.0 1 1 24 2368.39 6677.23827 6677.282 6.0 1 1 434 2491.19 6752.8433 6752.834 6.0 1 1 331 2685.31 6871.32271 6871.289 6.0 1 1 316 2841.14 6965.43876 6965.431 6.0 1 1 56184 2949.41 7030.27439 7030.251 6.0 1 1 319 3011.40 7067.18076 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 32.16907501220703 3011.40478515625 6129.19295508649 953.5813624224462 -14.52430064797861 -1.023044777407216 0.04117602270651655 -0.08738645556691759 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,641] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,641] units Angstroms features 32 32.30 5162.27692 5162.285 6.0 1 1 23 70.25 5187.73076 5187.746 6.0 1 1 31 120.31 5221.30072 5221.271 6.0 1 1 17 347.71 5373.46641 5373.494 6.0 1 1 5 419.52 5421.37889 5421.352 6.0 1 1 8 531.37 5495.85027 5495.874 6.0 1 1 43 626.17 5558.79529 5558.702 6.0 1 1 55 698.44 5606.66409 5606.733 6.0 1 1 53 824.11 5689.65511 5689.6401 6.0 1 1 8 acs: add; not Ar 899.73 5739.43451 5739.52 6.0 1 1 16 995.39 5802.21445 5802.08 6.0 1 1 8 acs: increase 1163.57 5912.07003 5912.085 6.0 1 1 47 1189.19 5928.75028 5928.8101 6.0 1 1 20 acs: add 1210.41 5942.5431 5942.6665 6.0 1 1 7 acs: add 1297.38 5998.9816 5998.999 6.0 1 1 7 weak 1320.50 6013.95544 6013.678 6.0 1 0 6 1348.64 6032.15347 6032.127 6.0 1 1 170 1365.93 6043.32645 6043.223 6.0 1 1 67 1390.83 6059.40937 6059.373 6.0 1 1 33 1462.41 6105.53669 6105.635 6.0 1 1 19 1524.64 6145.53679 6145.441 6.0 1 1 18 1761.67 6296.92603 6296.872 6.0 1 1 13 1876.37 6369.63332 6369.575 6.0 1 1 9 1900.06 6384.60267 6384.717 6.0 1 1 33 1950.29 6416.2902 6416.307 6.0 1 1 164 2251.64 6604.85576 6604.853 6.0 1 1 24 2368.53 6677.25848 6677.282 6.0 1 1 434 2491.29 6752.83237 6752.834 6.0 1 1 331 2685.42 6871.30749 6871.289 6.0 1 1 316 2841.29 6965.4527 6965.431 6.0 1 1 56184 2949.48 7030.24809 7030.251 6.0 1 1 319 3011.54 7067.20337 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 32.30418395996094 3011.543701171875 6129.210553369833 953.5790913879903 -14.52624841582254 -1.035375559174822 0.05583966852442747 -0.08049137463587251 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,636] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,636] units Angstroms features 32 32.47 5162.28687 5162.285 6.0 1 1 23 70.34 5187.70449 5187.746 6.0 1 1 31 120.40 5221.27971 5221.271 6.0 1 1 17 347.89 5373.52855 5373.494 6.0 1 1 5 419.62 5421.39199 5421.352 6.0 1 1 8 531.48 5495.86657 5495.874 6.0 1 1 43 626.33 5558.83706 5558.702 6.0 1 1 55 698.59 5606.69404 5606.733 6.0 1 1 53 824.10 5689.5725 5689.6401 6.0 1 1 8 acs: add; not Ar 899.77 5739.37889 5739.52 6.0 1 1 16 995.22 5802.0154 5802.08 6.0 1 1 8 acs: increase 1163.79 5912.12299 5912.085 6.0 1 1 47 1189.42 5928.79799 5928.8101 6.0 1 1 20 acs: add 1210.40 5942.44359 5942.6665 6.0 1 1 7 acs: add 1297.60 5999.02462 5998.999 6.0 1 1 7 weak 1320.53 6013.87687 6013.678 6.0 1 1 6 1348.78 6032.14989 6032.127 6.0 1 1 170 1366.11 6043.34649 6043.223 6.0 1 1 67 1391.05 6059.45051 6059.373 6.0 1 1 33 1462.63 6105.58122 6105.635 6.0 1 1 19 1524.76 6145.51652 6145.441 6.0 1 1 18 1761.73 6296.8768 6296.872 6.0 1 1 13 1876.29 6369.49086 6369.575 6.0 1 1 9 1900.32 6384.67705 6384.717 6.0 1 1 33 1950.42 6416.2828 6416.307 6.0 1 1 164 2251.72 6604.81977 6604.853 6.0 1 1 24 2368.65 6677.24682 6677.282 6.0 1 1 434 2491.53 6752.88271 6752.834 6.0 1 1 331 2685.64 6871.33997 6871.289 6.0 1 1 316 2841.44 6965.43958 6965.431 6.0 1 1 56184 2949.64 7030.24299 7030.251 6.0 1 1 319 3011.70 7067.19758 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 32.4708480834961 3011.700927734375 6129.227152322649 953.5555866836975 -14.52906327174712 -1.030999728122754 0.04413508143517989 -0.06923509771683156 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,631] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,631] units Angstroms features 32 32.64 5162.28689 5162.285 6.0 1 1 23 70.47 5187.68166 5187.746 6.0 1 1 31 120.57 5221.29684 5221.271 6.0 1 1 17 348.02 5373.52857 5373.494 6.0 1 1 5 419.79 5421.4196 5421.352 6.0 1 1 8 531.63 5495.87473 5495.874 6.0 1 1 43 626.46 5558.82939 5558.702 6.0 1 1 55 698.75 5606.71151 5606.733 6.0 1 1 53 824.21 5689.54894 5689.6401 6.0 1 1 8 acs: add; not Ar 899.92 5739.3761 5739.52 6.0 1 1 16 995.16 5801.87998 5802.08 6.0 1 1 8 acs: increase 1164.00 5912.15862 5912.085 6.0 1 1 47 1189.51 5928.76513 5928.8101 6.0 1 1 20 acs: add 1210.75 5942.57212 5942.6665 6.0 1 1 7 acs: add 1297.75 5999.03222 5998.999 6.0 1 1 7 weak 1320.71 6013.90118 6013.678 6.0 1 1 6 1348.93 6032.15286 6032.127 6.0 1 1 170 1366.25 6043.34798 6043.223 6.0 1 1 67 1391.18 6059.44465 6059.373 6.0 1 1 33 1462.71 6105.55278 6105.635 6.0 1 1 19 1524.92 6145.53909 6145.441 6.0 1 1 18 1761.88 6296.8984 6296.872 6.0 1 1 13 1876.19 6369.36279 6369.575 6.0 1 1 9 1900.54 6384.74947 6384.717 6.0 1 1 33 1950.48 6416.26321 6416.307 6.0 1 1 164 2251.81 6604.81798 6604.853 6.0 1 1 24 2368.78 6677.26104 6677.282 6.0 1 1 434 2491.68 6752.90498 6752.834 6.0 1 1 331 2685.76 6871.32175 6871.289 6.0 1 1 316 2841.60 6965.43015 6965.431 6.0 1 1 56184 2949.89 7030.27759 7030.251 6.0 1 1 319 3011.86 7067.17551 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 32.64278030395508 3011.864013671875 6129.242620360154 953.5481327085651 -14.54690265888809 -1.04256861449922 0.03548486994217758 -0.06125307924054795 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,626] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,626] units Angstroms features 32 32.80 5162.3098 5162.285 6.0 1 1 23 70.66 5187.72023 5187.746 6.0 1 1 31 120.65 5221.25455 5221.271 6.0 1 1 17 348.16 5373.51315 5373.494 6.0 1 1 5 419.85 5421.34517 5421.352 6.0 1 1 8 531.77 5495.85759 5495.874 6.0 1 1 43 626.56 5558.78895 5558.702 6.0 1 1 55 698.95 5606.73242 5606.733 6.0 1 1 53 824.59 5689.69372 5689.6401 6.0 1 1 8 acs: add; not Ar 900.16 5739.42949 5739.52 6.0 1 1 16 995.41 5801.94215 5802.08 6.0 1 1 8 acs: increase 1164.16 5912.16156 5912.085 6.0 1 1 47 1189.61 5928.72871 5928.8101 6.0 1 1 20 acs: add 1211.12 5942.71363 5942.6665 6.0 1 1 7 acs: add 1297.84 5998.9859 5998.999 6.0 1 1 7 weak 1320.97 6013.96634 6013.678 6.0 1 0 6 1349.05 6032.12935 6032.127 6.0 1 1 170 1366.41 6043.35101 6043.223 6.0 1 1 67 1391.16 6059.33313 6059.373 6.0 1 1 33 1462.93 6105.59315 6105.635 6.0 1 1 19 1525.06 6145.52279 6145.441 6.0 1 1 18 1762.00 6296.86834 6296.872 6.0 1 1 13 1876.23 6369.2822 6369.575 6.0 1 0 9 1900.67 6384.73193 6384.717 6.0 1 1 33 1950.62 6416.24264 6416.307 6.0 1 1 164 2251.99 6604.82571 6604.853 6.0 1 1 24 2368.97 6677.27977 6677.282 6.0 1 1 434 2491.79 6752.87772 6752.834 6.0 1 1 331 2685.81 6871.26127 6871.289 6.0 1 1 316 2841.77 6965.4487 6965.431 6.0 1 1 56184 2950.04 7030.28512 7030.251 6.0 1 1 319 3012.02 7067.18306 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 32.80067443847656 3012.016357421875 6129.244412872558 953.5473056921727 -14.53812068026778 -1.044301370922278 0.0401344310170946 -0.06637545512602782 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,621] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,621] units Angstroms features 32 32.87 5162.292 5162.285 6.0 1 1 23 70.78 5187.73174 5187.746 6.0 1 1 31 120.71 5221.21279 5221.271 6.0 1 1 17 348.64 5373.72291 5373.494 6.0 1 1 5 419.92 5421.2761 5421.352 6.0 1 1 8 531.87 5495.79649 5495.874 6.0 1 1 43 626.76 5558.78745 5558.702 6.0 1 1 55 699.07 5606.67992 5606.733 6.0 1 1 53 824.76 5689.68307 5689.6401 6.0 1 1 8 acs: add; not Ar 900.28 5739.39046 5739.52 6.0 1 1 16 995.57 5801.93048 5802.08 6.0 1 1 8 acs: increase 1164.25 5912.12212 5912.085 6.0 1 1 47 1189.80 5928.75798 5928.8101 6.0 1 1 20 acs: add 1211.17 5942.65276 5942.6665 6.0 1 1 7 acs: add 1298.02 5999.02493 5998.999 6.0 1 1 7 weak 1320.98 6013.89227 6013.678 6.0 1 1 6 1349.19 6032.14362 6032.127 6.0 1 1 170 1366.55 6043.36621 6043.223 6.0 1 1 67 1391.31 6059.35569 6059.373 6.0 1 1 33 1463.04 6105.59509 6105.635 6.0 1 1 19 1525.08 6145.47352 6145.441 6.0 1 1 18 1761.86 6296.73057 6296.872 6.0 1 1 13 1876.52 6369.41478 6369.575 6.0 1 1 9 1900.89 6384.81571 6384.717 6.0 1 1 33 1950.83 6416.32494 6416.307 6.0 1 1 164 2252.17 6604.85816 6604.853 6.0 1 1 24 2369.14 6677.29146 6677.282 6.0 1 1 434 2491.91 6752.84546 6752.834 6.0 1 1 331 2686.07 6871.30579 6871.289 6.0 1 1 316 2841.92 6965.43108 6965.431 6.0 1 1 56184 2950.12 7030.24838 7030.251 6.0 1 1 319 3012.16 7067.20975 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 32.86650466918945 3012.162353515625 6129.221841001382 953.5739356995296 -14.53924921763053 -1.060865827582383 0.06828202224078522 -0.05419709555465994 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,616] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,616] units Angstroms features 32 32.99 5162.29866 5162.285 6.0 1 1 23 70.84 5187.6931 5187.746 6.0 1 1 31 120.91 5221.27052 5221.271 6.0 1 1 17 348.60 5373.6188 5373.494 6.0 1 1 5 420.10 5421.32181 5421.352 6.0 1 1 8 531.99 5495.80917 5495.874 6.0 1 1 43 626.92 5558.83491 5558.702 6.0 1 1 55 699.18 5606.69206 5606.733 6.0 1 1 53 824.79 5689.64246 5689.6401 6.0 1 1 8 acs: add; not Ar 900.36 5739.38324 5739.52 6.0 1 1 16 995.80 5802.01633 5802.08 6.0 1 1 8 acs: increase 1164.31 5912.09126 5912.085 6.0 1 1 47 1189.90 5928.74954 5928.8101 6.0 1 1 20 acs: add 1211.16 5942.57543 5942.6665 6.0 1 1 7 acs: add 1298.43 5999.20642 5998.999 6.0 1 1 7 weak 1320.66 6013.60224 6013.678 6.0 1 1 6 1349.32 6032.14241 6032.127 6.0 1 1 170 1366.72 6043.38926 6043.223 6.0 1 1 67 1391.49 6059.3875 6059.373 6.0 1 1 33 1463.18 6105.59394 6105.635 6.0 1 1 19 1525.34 6145.54542 6145.441 6.0 1 1 18 1762.12 6296.78279 6296.872 6.0 1 1 13 1876.83 6369.49445 6369.575 6.0 1 1 9 1900.97 6384.74869 6384.717 6.0 1 1 33 1951.04 6416.33842 6416.307 6.0 1 1 164 2252.22 6604.7811 6604.853 6.0 1 1 24 2369.27 6677.27072 6677.282 6.0 1 1 434 2492.07 6752.85139 6752.834 6.0 1 1 331 2686.27 6871.34882 6871.289 6.0 1 1 316 2842.07 6965.44319 6965.431 6.0 1 1 56184 2950.26 7030.24146 7030.251 6.0 1 1 319 3012.31 7067.19816 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 32.9898681640625 3012.311279296875 6129.222738860666 953.5646088510583 -14.53509456205948 -1.047754731152677 0.06076529980590298 -0.0671016956866101 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,611] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,611] units Angstroms features 32 33.07 5162.28322 5162.285 6.0 1 1 23 70.96 5187.71223 5187.746 6.0 1 1 31 121.06 5221.31096 5221.271 6.0 1 1 17 348.53 5373.51322 5373.494 6.0 1 1 5 420.20 5421.32558 5421.352 6.0 1 1 8 532.12 5495.82584 5495.874 6.0 1 1 43 626.99 5558.80433 5558.702 6.0 1 1 55 699.30 5606.69507 5606.733 6.0 1 1 53 825.04 5689.71261 5689.6401 6.0 1 1 8 acs: add; not Ar 900.58 5739.42917 5739.52 6.0 1 1 16 996.06 5802.08864 5802.08 6.0 1 1 8 acs: increase 1164.46 5912.08445 5912.085 6.0 1 1 47 1190.10 5928.77045 5928.8101 6.0 1 1 20 acs: add 1211.33 5942.5777 5942.6665 6.0 1 1 7 acs: add 1298.61 5999.21616 5998.999 6.0 1 1 7 weak 1320.67 6013.50009 6013.678 6.0 1 1 6 1349.46 6032.1279 6032.127 6.0 1 1 170 1366.85 6043.36505 6043.223 6.0 1 1 67 1391.58 6059.33272 6059.373 6.0 1 1 33 1463.23 6105.51685 6105.635 6.0 1 1 19 1525.51 6145.55031 6145.441 6.0 1 1 18 1762.40 6296.86471 6296.872 6.0 1 1 13 1877.12 6369.58354 6369.575 6.0 1 1 9 1901.11 6384.74317 6384.717 6.0 1 1 33 1951.18 6416.33324 6416.307 6.0 1 1 164 2252.34 6604.76578 6604.853 6.0 1 1 24 2369.38 6677.25048 6677.282 6.0 1 1 434 2492.22 6752.85566 6752.834 6.0 1 1 331 2686.40 6871.32944 6871.289 6.0 1 1 316 2842.23 6965.43861 6965.431 6.0 1 1 56184 2950.48 7030.26883 7030.251 6.0 1 1 319 3012.48 7067.18768 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 33.06859588623047 3012.478515625 6129.21219459108 953.5685180036977 -14.52763142835227 -1.055125307377692 0.0508849976857115 -0.06116313758949974 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,606] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,606] units Angstroms features 32 33.20 5162.28532 5162.285 6.0 1 1 23 71.09 5187.7152 5187.746 6.0 1 1 31 121.18 5221.3113 5221.271 6.0 1 1 17 348.59 5373.48625 5373.494 6.0 1 1 5 420.33 5421.34129 5421.352 6.0 1 1 8 532.28 5495.84564 5495.874 6.0 1 1 43 627.08 5558.77438 5558.702 6.0 1 1 55 699.41 5606.66572 5606.733 6.0 1 1 53 825.33 5689.80073 5689.6401 6.0 1 1 8 acs: add; not Ar 900.78 5739.44639 5739.52 6.0 1 1 16 996.13 5802.01456 5802.08 6.0 1 1 8 acs: increase 1164.68 5912.10625 5912.085 6.0 1 1 47 1190.28 5928.76841 5928.8101 6.0 1 1 20 acs: add 1211.53 5942.58446 5942.6665 6.0 1 1 7 acs: add 1299.07 5999.39396 5998.999 6.0 1 0 7 weak 1321.12 6013.67328 6013.678 6.0 1 1 6 1349.69 6032.15524 6032.127 6.0 1 1 170 1366.97 6043.32064 6043.223 6.0 1 1 67 1391.80 6059.35593 6059.373 6.0 1 1 33 1463.23 6105.3996 6105.635 6.0 1 0 19 1525.62 6145.50048 6145.441 6.0 1 1 18 1762.46 6296.79298 6296.872 6.0 1 1 13 1877.38 6369.64341 6369.575 6.0 1 1 9 1901.19 6384.69203 6384.717 6.0 1 1 33 1951.29 6416.30169 6416.307 6.0 1 1 164 2252.65 6604.85645 6604.853 6.0 1 1 24 2369.55 6677.24775 6677.282 6.0 1 1 434 2492.37 6752.8363 6752.834 6.0 1 1 331 2686.57 6871.31117 6871.289 6.0 1 1 316 2842.40 6965.41704 6965.431 6.0 1 1 56184 2950.72 7030.29557 7030.251 6.0 1 1 319 3012.66 7067.18382 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 33.20281219482422 3012.6572265625 6129.209339728058 953.5576840244021 -14.52034656733838 -1.059112689876322 0.04557822789352368 -0.04932056806547927 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,601] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,601] units Angstroms features 32 33.36 5162.27861 5162.285 6.0 1 1 23 71.23 5187.68984 5187.746 6.0 1 1 31 121.38 5221.32872 5221.271 6.0 1 1 17 348.77 5373.47766 5373.494 6.0 1 1 5 420.67 5421.44084 5421.352 6.0 1 1 8 532.43 5495.83289 5495.874 6.0 1 1 43 627.22 5558.76208 5558.702 6.0 1 1 55 699.53 5606.64319 5606.733 6.0 1 1 53 825.45 5689.78153 5689.6401 6.0 1 1 8 acs: add; not Ar 900.81 5739.37651 5739.52 6.0 1 1 16 996.15 5801.94325 5802.08 6.0 1 1 8 acs: increase 1164.90 5912.16008 5912.085 6.0 1 1 47 1190.46 5928.79197 5928.8101 6.0 1 1 20 acs: add 1211.59 5942.53151 5942.6665 6.0 1 1 7 acs: add 1299.01 5999.25967 5998.999 6.0 1 1 7 weak 1321.16 6013.6007 6013.678 6.0 1 1 6 1349.86 6032.16869 6032.127 6.0 1 1 170 1367.11 6043.31746 6043.223 6.0 1 1 67 1391.98 6059.37797 6059.373 6.0 1 1 33 1463.60 6105.53705 6105.635 6.0 1 1 19 1525.82 6145.52408 6145.441 6.0 1 1 18 1762.61 6296.77341 6296.872 6.0 1 1 13 1877.58 6369.65497 6369.575 6.0 1 1 9 1901.45 6384.73545 6384.717 6.0 1 1 33 1951.33 6416.20653 6416.307 6.0 1 1 164 2252.79 6604.83958 6604.853 6.0 1 1 24 2369.77 6677.28424 6677.282 6.0 1 1 434 2492.53 6752.83932 6752.834 6.0 1 1 331 2686.69 6871.30289 6871.289 6.0 1 1 316 2842.57 6965.43195 6965.431 6.0 1 1 56184 2950.90 7030.30309 7030.251 6.0 1 1 319 3012.82 7067.16798 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 33.35684204101562 3012.821044921875 6129.20564687681 953.5651274029659 -14.52472853512674 -1.055948731375653 0.04237858091259927 -0.06449661323829619 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,596] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,596] units Angstroms features 32 33.49 5162.29163 5162.285 6.0 1 1 23 71.37 5187.70565 5187.746 6.0 1 1 31 121.45 5221.28517 5221.271 6.0 1 1 17 348.88 5373.46504 5373.494 6.0 1 1 5 420.84 5421.4783 5421.352 6.0 1 1 8 532.53 5495.83053 5495.874 6.0 1 1 43 627.34 5558.77251 5558.702 6.0 1 1 55 699.70 5606.69876 5606.733 6.0 1 1 53 825.38 5689.67872 5689.6401 6.0 1 1 8 acs: add; not Ar 900.89 5739.37644 5739.52 6.0 1 1 16 996.16 5801.89423 5802.08 6.0 1 1 8 acs: increase 1165.04 5912.19233 5912.085 6.0 1 1 47 1190.66 5928.86168 5928.8101 6.0 1 1 20 acs: add 1211.81 5942.61272 5942.6665 6.0 1 1 7 acs: add 1298.80 5999.05486 5998.999 6.0 1 1 7 weak 1321.34 6013.64891 6013.678 6.0 1 1 6 1349.99 6032.18496 6032.127 6.0 1 1 170 1367.22 6043.31806 6043.223 6.0 1 1 67 1392.18 6059.42994 6059.373 6.0 1 1 33 1463.85 6105.61851 6105.635 6.0 1 1 19 1525.79 6145.42209 6145.441 6.0 1 1 18 1762.88 6296.84146 6296.872 6.0 1 1 13 1877.60 6369.55306 6369.575 6.0 1 1 9 1901.71 6384.78689 6384.717 6.0 1 1 33 1951.42 6416.14634 6416.307 6.0 1 1 164 2253.10 6604.9068 6604.853 6.0 1 1 24 2369.92 6677.26297 6677.282 6.0 1 1 434 2492.74 6752.86298 6752.834 6.0 1 1 331 2686.79 6871.27331 6871.289 6.0 1 1 316 2842.73 6965.44715 6965.431 6.0 1 1 56184 2950.98 7030.26878 7030.251 6.0 1 1 319 3013.00 7067.19293 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 33.49140930175781 3013.004638671875 6129.220250355496 953.5640966131759 -14.5244308081228 -1.036175453387244 0.04645859140298325 -0.07727269784372765 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,591] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,591] units Angstroms features 32 33.62 5162.28096 5162.285 6.0 1 1 23 71.52 5187.72424 5187.746 6.0 1 1 31 121.54 5221.27081 5221.271 6.0 1 1 17 348.99 5373.46733 5373.494 6.0 1 1 5 421.01 5421.50921 5421.352 6.0 1 1 8 532.71 5495.85593 5495.874 6.0 1 1 43 627.42 5558.72529 5558.702 6.0 1 1 55 699.83 5606.67077 5606.733 6.0 1 1 53 825.49 5689.63355 5689.6401 6.0 1 1 8 acs: add; not Ar 901.16 5739.42982 5739.52 6.0 1 1 16 996.37 5801.91188 5802.08 6.0 1 1 8 acs: increase 1165.18 5912.16803 5912.085 6.0 1 1 47 1190.71 5928.78702 5928.8101 6.0 1 1 20 acs: add 1211.89 5942.56011 5942.6665 6.0 1 1 7 acs: add 1298.98 5999.07396 5998.999 6.0 1 1 7 weak 1321.87 6013.89083 6013.678 6.0 1 1 6 1350.12 6032.16837 6032.127 6.0 1 1 170 1367.41 6043.34006 6043.223 6.0 1 1 67 1392.44 6059.50811 6059.373 6.0 1 1 33 1463.79 6105.49297 6105.635 6.0 1 1 19 1525.85 6145.38055 6145.441 6.0 1 1 18 1762.94 6296.8185 6296.872 6.0 1 1 13 1877.56 6369.46882 6369.575 6.0 1 1 9 1901.71 6384.73023 6384.717 6.0 1 1 33 1951.68 6416.24834 6416.307 6.0 1 1 164 2253.30 6604.94484 6604.853 6.0 1 1 24 2370.08 6677.24968 6677.282 6.0 1 1 434 2493.02 6752.90608 6752.834 6.0 1 1 331 2687.02 6871.25971 6871.289 6.0 1 1 316 2842.91 6965.4174 6965.431 6.0 1 1 56184 2951.10 7030.23406 7030.251 6.0 1 1 319 3013.19 7067.23624 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 33.61550140380859 3013.193115234375 6129.222842583097 953.5640487833252 -14.52697036058654 -1.039828133088571 0.06272718623026469 -0.04657836408152385 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,586] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,586] units Angstroms features 32 33.69 5162.269 5162.285 6.0 1 1 23 71.67 5187.73323 5187.746 6.0 1 1 31 121.72 5221.27497 5221.271 6.0 1 1 17 349.38 5373.5721 5373.494 6.0 1 1 5 421.03 5421.36871 5421.352 6.0 1 1 8 532.88 5495.82937 5495.874 6.0 1 1 43 627.62 5558.73529 5558.702 6.0 1 1 55 699.99 5606.66783 5606.733 6.0 1 1 53 825.76 5689.72156 5689.6401 6.0 1 1 8 acs: add; not Ar 901.30 5739.44581 5739.52 6.0 1 1 16 996.56 5801.96641 5802.08 6.0 1 1 8 acs: increase 1165.35 5912.21605 5912.085 6.0 1 1 47 1190.78 5928.76741 5928.8101 6.0 1 1 20 acs: add 1211.99 5942.56119 5942.6665 6.0 1 1 7 acs: add 1298.85 5998.92187 5998.999 6.0 1 1 7 weak 1322.10 6013.9801 6013.678 6.0 1 0 6 1350.26 6032.1897 6032.127 6.0 1 1 170 1367.61 6043.40443 6043.223 6.0 1 1 67 1392.50 6059.47215 6059.373 6.0 1 1 33 1463.93 6105.50467 6105.635 6.0 1 1 19 1526.19 6145.51644 6145.441 6.0 1 1 18 1763.07 6296.79746 6296.872 6.0 1 1 13 1877.92 6369.58611 6369.575 6.0 1 1 9 1901.92 6384.74603 6384.717 6.0 1 1 33 1951.91 6416.28161 6416.307 6.0 1 1 164 2253.21 6604.7853 6604.853 6.0 1 1 24 2370.20 6677.23442 6677.282 6.0 1 1 434 2493.20 6752.93596 6752.834 6.0 1 1 331 2687.15 6871.28021 6871.289 6.0 1 1 316 2843.09 6965.44432 6965.431 6.0 1 1 56184 2951.33 7030.26177 7030.251 6.0 1 1 319 3013.37 7067.19433 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 33.689208984375 3013.37451171875 6129.202082873776 953.6003391619269 -14.5400666462931 -1.052635805394833 0.06964637642788005 -0.08503618479902698 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,581] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,581] units Angstroms features 32 33.82 5162.2689 5162.285 6.0 1 1 23 71.81 5187.75606 5187.746 6.0 1 1 31 121.77 5221.24927 5221.271 6.0 1 1 17 349.49 5373.59973 5373.494 6.0 1 1 5 420.98 5421.28978 5421.352 6.0 1 1 8 533.00 5495.84989 5495.874 6.0 1 1 43 627.83 5558.79393 5558.702 6.0 1 1 55 700.16 5606.69204 5606.733 6.0 1 1 53 825.95 5689.74025 5689.6401 6.0 1 1 8 acs: add; not Ar 901.34 5739.35205 5739.52 6.0 1 1 16 996.83 5802.01325 5802.08 6.0 1 1 8 acs: increase 1165.44 5912.1313 5912.085 6.0 1 1 47 1190.94 5928.72845 5928.8101 6.0 1 1 20 acs: add 1212.26 5942.58941 5942.6665 6.0 1 1 7 acs: add 1299.17 5998.98397 5998.999 6.0 1 1 7 weak 1322.21 6013.89793 6013.678 6.0 1 1 6 1350.38 6032.12269 6032.127 6.0 1 1 170 1367.71 6043.31878 6043.223 6.0 1 1 67 1392.44 6059.28802 6059.373 6.0 1 1 33 1464.32 6105.61466 6105.635 6.0 1 1 19 1526.42 6145.52372 6145.441 6.0 1 1 18 1763.39 6296.88299 6296.872 6.0 1 1 13 1878.02 6369.54177 6369.575 6.0 1 1 9 1902.06 6384.73371 6384.717 6.0 1 1 33 1952.04 6416.26122 6416.307 6.0 1 1 164 2253.32 6604.76961 6604.853 6.0 1 1 24 2370.38 6677.26438 6677.282 6.0 1 1 434 2493.30 6752.921 6752.834 6.0 1 1 331 2687.31 6871.28122 6871.289 6.0 1 1 316 2843.26 6965.44818 6965.431 6.0 1 1 56184 2951.53 7030.26968 7030.251 6.0 1 1 319 3013.55 7067.18586 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 33.82333374023437 3013.547607421875 6129.205231350856 953.590008386444 -14.52191407669799 -1.063697587581361 0.04406448214187564 -0.0678280258234175 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,576] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,576] units Angstroms features 32 34.04 5162.27712 5162.285 6.0 1 1 23 71.95 5187.73191 5187.746 6.0 1 1 31 121.98 5221.3019 5221.271 6.0 1 1 17 349.24 5373.38602 5373.494 6.0 1 1 5 421.32 5421.46605 5421.352 6.0 1 1 8 533.12 5495.86337 5495.874 6.0 1 1 43 627.94 5558.7931 5558.702 6.0 1 1 55 700.32 5606.70716 5606.733 6.0 1 1 53 826.04 5689.68927 5689.6401 6.0 1 1 8 acs: add; not Ar 901.45 5739.30688 5739.52 6.0 1 1 16 997.23 5802.14597 5802.08 6.0 1 1 8 acs: increase 1165.54 5912.06402 5912.085 6.0 1 1 47 1191.15 5928.72413 5928.8101 6.0 1 1 20 acs: add 1212.47 5942.5905 5942.6665 6.0 1 1 7 acs: add 1299.62 5999.14169 5998.999 6.0 1 1 7 weak 1322.24 6013.78329 6013.678 6.0 1 1 6 1350.53 6032.08495 6032.127 6.0 1 1 170 1367.82 6043.26215 6043.223 6.0 1 1 67 1392.64 6059.28965 6059.373 6.0 1 1 33 1464.61 6105.67845 6105.635 6.0 1 1 19 1526.62 6145.53303 6145.441 6.0 1 1 18 1763.53 6296.87263 6296.872 6.0 1 1 13 1878.05 6369.47186 6369.575 6.0 1 1 9 1902.19 6384.7294 6384.717 6.0 1 1 33 1952.23 6416.29997 6416.307 6.0 1 1 164 2253.53 6604.81432 6604.853 6.0 1 1 24 2370.58 6677.29379 6677.282 6.0 1 1 434 2493.43 6752.88887 6752.834 6.0 1 1 331 2687.49 6871.26896 6871.289 6.0 1 1 316 2843.45 6965.4409 6965.431 6.0 1 1 56184 2951.67 7030.25527 7030.251 6.0 1 1 319 3013.72 7067.20712 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 34.04451751708985 3013.71630859375 6129.230753424674 953.559934188912 -14.51743956111349 -1.058212956402574 0.0288085988154165 -0.036721619533087 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,571] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,571] units Angstroms features 32 34.15 5162.2622 5162.285 6.0 1 1 23 72.03 5187.68885 5187.746 6.0 1 1 31 122.25 5221.36645 5221.271 6.0 1 1 17 349.46 5373.39644 5373.494 6.0 1 1 5 421.56 5421.49068 5421.352 6.0 1 1 8 533.29 5495.85225 5495.874 6.0 1 1 43 628.11 5558.77897 5558.702 6.0 1 1 55 700.47 5606.68984 5606.733 6.0 1 1 53 826.09 5689.61906 5689.6401 6.0 1 1 8 acs: add; not Ar 901.68 5739.35819 5739.52 6.0 1 1 16 997.32 5802.10535 5802.08 6.0 1 1 8 acs: increase 1165.81 5912.13873 5912.085 6.0 1 1 47 1191.32 5928.74336 5928.8101 6.0 1 1 20 acs: add 1212.62 5942.59076 5942.6665 6.0 1 1 7 acs: add 1299.64 5999.05214 5998.999 6.0 1 1 7 weak 1322.35 6013.75825 6013.678 6.0 1 1 6 1350.69 6032.08738 6032.127 6.0 1 1 170 1368.05 6043.30409 6043.223 6.0 1 1 67 1392.94 6059.37968 6059.373 6.0 1 1 33 1464.79 6105.68261 6105.635 6.0 1 1 19 1526.80 6145.54024 6145.441 6.0 1 1 18 1763.51 6296.73323 6296.872 6.0 1 1 13 1878.39 6369.55442 6369.575 6.0 1 1 9 1902.40 6384.72748 6384.717 6.0 1 1 33 1952.39 6416.26617 6416.307 6.0 1 1 164 2253.86 6604.89343 6604.853 6.0 1 1 24 2370.71 6677.25894 6677.282 6.0 1 1 434 2493.56 6752.85844 6752.834 6.0 1 1 331 2687.67 6871.27444 6871.289 6.0 1 1 316 2843.62 6965.43441 6965.431 6.0 1 1 56184 2951.99 7030.31067 7030.251 6.0 1 1 319 3013.90 7067.16656 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 34.14897918701172 3013.898681640625 6129.203707975582 953.5726150940169 -14.52073981001233 -1.063175497480944 0.03141290968768405 -0.05725569732702895 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,566] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,566] units Angstroms features 32 34.27 5162.26567 5162.285 6.0 1 1 23 72.17 5187.67872 5187.746 6.0 1 1 31 122.37 5221.32191 5221.271 6.0 1 1 17 350.10 5373.66139 5373.494 6.0 1 1 5 421.57 5421.33773 5421.352 6.0 1 1 8 533.40 5495.78382 5495.874 6.0 1 1 43 628.28 5558.77182 5558.702 6.0 1 1 55 700.62 5606.68272 5606.733 6.0 1 1 53 826.16 5689.5796 5689.6401 6.0 1 1 8 acs: add; not Ar 901.86 5739.40317 5739.52 6.0 1 1 16 997.36 5802.07606 5802.08 6.0 1 1 8 acs: increase 1165.94 5912.17836 5912.085 6.0 1 1 47 1191.46 5928.78992 5928.8101 6.0 1 1 20 acs: add 1212.73 5942.61612 5942.6665 6.0 1 1 7 acs: add 1299.67 5999.0251 5998.999 6.0 1 1 7 weak 1322.19 6013.60579 6013.678 6.0 1 1 6 1350.88 6032.16504 6032.127 6.0 1 1 170 1368.24 6043.38257 6043.223 6.0 1 1 67 1393.04 6059.39663 6059.373 6.0 1 1 33 1464.75 6105.60464 6105.635 6.0 1 1 19 1526.87 6145.52701 6145.441 6.0 1 1 18 1763.75 6296.8018 6296.872 6.0 1 1 13 1878.60 6369.59061 6369.575 6.0 1 1 9 1902.52 6384.70083 6384.717 6.0 1 1 33 1952.53 6416.24766 6416.307 6.0 1 1 164 2253.97 6604.84543 6604.853 6.0 1 1 24 2370.87 6677.24051 6677.282 6.0 1 1 434 2493.76 6752.87146 6752.834 6.0 1 1 331 2687.88 6871.3046 6871.289 6.0 1 1 316 2843.81 6965.44437 6965.431 6.0 1 1 56184 2952.18 7030.31345 7030.251 6.0 1 1 319 3014.09 7067.1492 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 34.27214050292969 3014.08984375 6129.198743023001 953.592209213453 -14.5454501617875 -1.063640023198194 0.0541420352269336 -0.08680825539672096 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,561] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,561] units Angstroms features 32 34.53 5162.32251 5162.285 6.0 1 1 23 72.34 5187.66944 5187.746 6.0 1 1 31 122.46 5221.25693 5221.271 6.0 1 1 17 350.30 5373.67043 5373.494 6.0 1 1 5 421.73 5421.32766 5421.352 6.0 1 1 8 533.55 5495.77023 5495.874 6.0 1 1 43 628.44 5558.77786 5558.702 6.0 1 1 55 700.79 5606.69793 5606.733 6.0 1 1 53 826.27 5689.56426 5689.6401 6.0 1 1 8 acs: add; not Ar 902.07 5739.45685 5739.52 6.0 1 1 16 997.63 5802.16388 5802.08 6.0 1 1 8 acs: increase 1166.03 5912.15012 5912.085 6.0 1 1 47 1191.55 5928.75508 5928.8101 6.0 1 1 20 acs: add 1212.76 5942.54265 5942.6665 6.0 1 1 7 acs: add 1299.76 5998.98908 5998.999 6.0 1 1 7 weak 1322.45 6013.67291 6013.678 6.0 1 1 6 1351.05 6032.16979 6032.127 6.0 1 1 170 1368.38 6043.3664 6043.223 6.0 1 1 67 1393.19 6059.38861 6059.373 6.0 1 1 33 1464.83 6105.54148 6105.635 6.0 1 1 19 1527.05 6145.52155 6145.441 6.0 1 1 18 1764.18 6296.93562 6296.872 6.0 1 1 13 1878.65 6369.4785 6369.575 6.0 1 1 9 1902.86 6384.77678 6384.717 6.0 1 1 33 1952.76 6416.24532 6416.307 6.0 1 1 164 2254.18 6604.83074 6604.853 6.0 1 1 24 2371.11 6677.2497 6677.282 6.0 1 1 434 2493.94 6752.85378 6752.834 6.0 1 1 331 2688.06 6871.30652 6871.289 6.0 1 1 316 2844.00 6965.4653 6965.431 6.0 1 1 56184 2952.25 7030.26985 7030.251 6.0 1 1 319 3014.28 7067.17593 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 34.53002548217773 3014.280517578125 6129.22938534633 953.5678948435215 -14.53841564723183 -1.041009536697463 0.05825062952542833 -0.1001748989645955 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,556] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,556] units Angstroms features 32 34.67 5162.30153 5162.285 6.0 1 1 23 72.51 5187.6765 5187.746 6.0 1 1 31 122.66 5221.2999 5221.271 6.0 1 1 17 350.23 5373.5463 5373.494 6.0 1 1 5 421.94 5421.3885 5421.352 6.0 1 1 8 533.80 5495.84462 5495.874 6.0 1 1 43 628.58 5558.76816 5558.702 6.0 1 1 55 700.94 5606.68937 5606.733 6.0 1 1 53 826.37 5689.50289 5689.6401 6.0 1 1 8 acs: add; not Ar 902.28 5739.45886 5739.52 6.0 1 1 16 997.96 5802.241 5802.08 6.0 1 1 8 acs: increase 1166.22 5912.121 5912.085 6.0 1 1 47 1191.67 5928.68014 5928.8101 6.0 1 1 20 acs: add 1213.01 5942.55423 5942.6665 6.0 1 1 7 acs: add 1300.18 5999.10871 5998.999 6.0 1 1 7 weak 1322.68 6013.67098 6013.678 6.0 1 1 6 1351.18 6032.10513 6032.127 6.0 1 1 170 1368.53 6043.3172 6043.223 6.0 1 1 67 1393.46 6059.41229 6059.373 6.0 1 1 33 1465.03 6105.52501 6105.635 6.0 1 1 19 1527.40 6145.60285 6145.441 6.0 1 1 18 1764.30 6296.88655 6296.872 6.0 1 1 13 1878.81 6369.45861 6369.575 6.0 1 1 9 1903.08 6384.79031 6384.717 6.0 1 1 33 1952.94 6416.24199 6416.307 6.0 1 1 164 2254.41 6604.86123 6604.853 6.0 1 1 24 2371.30 6677.25805 6677.282 6.0 1 1 434 2494.10 6752.83828 6752.834 6.0 1 1 331 2688.27 6871.30592 6871.289 6.0 1 1 316 2844.18 6965.43972 6965.431 6.0 1 1 56184 2952.55 7030.30783 7030.251 6.0 1 1 319 3014.48 7067.16001 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 34.6739501953125 3014.478515625 6129.219211087094 953.5617249471926 -14.53000028605256 -1.047409869975981 0.04155876037482825 -0.08507533316425698 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,551] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,551] units Angstroms features 32 34.75 5162.21634 5162.285 6.0 1 1 23 72.74 5187.7172 5187.746 6.0 1 1 31 122.91 5221.37042 5221.271 6.0 1 1 17 350.27 5373.5146 5373.494 6.0 1 1 5 422.08 5421.41633 5421.352 6.0 1 1 8 533.90 5495.84592 5495.874 6.0 1 1 43 628.71 5558.77705 5558.702 6.0 1 1 55 701.05 5606.67986 5606.733 6.0 1 1 53 826.50 5689.49348 5689.6401 6.0 1 1 8 acs: add; not Ar 902.42 5739.44867 5739.52 6.0 1 1 16 997.91 5802.10172 5802.08 6.0 1 1 8 acs: increase 1166.40 5912.12479 5912.085 6.0 1 1 47 1191.92 5928.72743 5928.8101 6.0 1 1 20 acs: add 1213.13 5942.52124 5942.6665 6.0 1 1 7 acs: add 1300.42 5999.14743 5998.999 6.0 1 1 7 weak 1323.18 6013.88262 6013.678 6.0 1 1 6 1351.36 6032.11022 6032.127 6.0 1 1 170 1368.70 6043.31186 6043.223 6.0 1 1 67 1393.68 6059.4436 6059.373 6.0 1 1 33 1465.21 6105.53557 6105.635 6.0 1 1 19 1527.36 6145.47028 6145.441 6.0 1 1 18 1764.23 6296.75112 6296.872 6.0 1 1 13 1879.09 6369.5466 6369.575 6.0 1 1 9 1903.16 6384.75599 6384.717 6.0 1 1 33 1953.15 6416.2951 6416.307 6.0 1 1 164 2254.47 6604.82081 6604.853 6.0 1 1 24 2371.46 6677.26768 6677.282 6.0 1 1 434 2494.28 6752.85461 6752.834 6.0 1 1 331 2688.47 6871.31739 6871.289 6.0 1 1 316 2844.37 6965.43297 6965.431 6.0 1 1 56184 2952.75 7030.30601 7030.251 6.0 1 1 319 3014.69 7067.15877 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 34.74592590332031 3014.68505859375 6129.207101084612 953.5872958735742 -14.54385393027842 -1.048180843800515 0.02430586457833205 -0.06790086005868946 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,546] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,546] units Angstroms features 32 34.95 5162.23463 5162.285 6.0 1 1 23 72.89 5187.7026 5187.746 6.0 1 1 31 123.05 5221.35686 5221.271 6.0 1 1 17 350.47 5373.55308 5373.494 6.0 1 1 5 422.17 5421.38645 5421.352 6.0 1 1 8 534.01 5495.82607 5495.874 6.0 1 1 43 628.89 5558.8014 5558.702 6.0 1 1 55 701.21 5606.68653 5606.733 6.0 1 1 53 826.71 5689.53348 5689.6401 6.0 1 1 8 acs: add; not Ar 902.50 5739.40375 5739.52 6.0 1 1 16 997.97 5802.04496 5802.08 6.0 1 1 8 acs: increase 1166.62 5912.1788 5912.085 6.0 1 1 47 1192.19 5928.81765 5928.8101 6.0 1 1 20 acs: add 1213.16 5942.44786 5942.6665 6.0 1 1 7 acs: add 1300.60 5999.18559 5998.999 6.0 1 1 7 weak 1323.70 6014.14085 6013.678 6.0 1 0 6 1351.58 6032.17132 6032.127 6.0 1 1 170 1368.92 6043.37261 6043.223 6.0 1 1 67 1393.88 6059.48855 6059.373 6.0 1 1 33 1465.31 6105.51932 6105.635 6.0 1 1 19 1527.51 6145.49803 6145.441 6.0 1 1 18 1764.43 6296.80728 6296.872 6.0 1 1 13 1878.97 6369.40406 6369.575 6.0 1 1 9 1903.25 6384.7412 6384.717 6.0 1 1 33 1953.30 6416.31247 6416.307 6.0 1 1 164 2254.78 6604.91676 6604.853 6.0 1 1 24 2371.56 6677.22315 6677.282 6.0 1 1 434 2494.51 6752.87331 6752.834 6.0 1 1 331 2688.67 6871.30527 6871.289 6.0 1 1 316 2844.57 6965.43554 6965.431 6.0 1 1 56184 2952.84 7030.26441 7030.251 6.0 1 1 319 3014.87 7067.19269 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 34.95469665527344 3014.8671875 6129.233577548336 953.5726526318247 -14.55701665672577 -1.040789586604415 0.03709991481847191 -0.05283328728309418 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,541] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,541] units Angstroms features 32 35.18 5162.25313 5162.285 6.0 1 1 23 73.02 5187.67686 5187.746 6.0 1 1 31 123.18 5221.34823 5221.271 6.0 1 1 17 350.59 5373.55342 5373.494 6.0 1 1 5 422.35 5421.41457 5421.352 6.0 1 1 8 534.22 5495.86026 5495.874 6.0 1 1 43 629.08 5558.80299 5558.702 6.0 1 1 55 701.39 5606.66657 5606.733 6.0 1 1 53 827.03 5689.58638 5689.6401 6.0 1 1 8 acs: add; not Ar 902.59 5739.29241 5739.52 6.0 1 1 16 998.19 5802.00599 5802.08 6.0 1 1 8 acs: increase 1166.86 5912.15106 5912.085 6.0 1 1 47 1192.29 5928.69957 5928.8101 6.0 1 1 20 acs: add 1213.43 5942.44828 5942.6665 6.0 1 1 7 acs: add 1301.04 5999.29659 5998.999 6.0 1 1 7 weak 1323.71 6013.9734 6013.678 6.0 1 1 6 1351.73 6032.09694 6032.127 6.0 1 1 170 1369.20 6043.39138 6043.223 6.0 1 1 67 1394.06 6059.44286 6059.373 6.0 1 1 33 1465.48 6105.47748 6105.635 6.0 1 1 19 1527.76 6145.50791 6145.441 6.0 1 1 18 1764.57 6296.78243 6296.872 6.0 1 1 13 1879.06 6369.36067 6369.575 6.0 1 1 9 1903.38 6384.72928 6384.717 6.0 1 1 33 1953.45 6416.3148 6416.307 6.0 1 1 164 2254.85 6604.86985 6604.853 6.0 1 1 24 2371.82 6677.28753 6677.282 6.0 1 1 434 2494.72 6752.89363 6752.834 6.0 1 1 331 2688.87 6871.30089 6871.289 6.0 1 1 316 2844.77 6965.42434 6965.431 6.0 1 1 56184 2952.99 7030.24071 7030.251 6.0 1 1 319 3015.05 7067.21331 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 35.17974472045898 3015.048828125 6129.246581248788 953.5538653233988 -14.53906163122138 -1.054189554137874 0.02569788512421627 -0.01958627728454518 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,536] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,536] units Angstroms features 32 35.37 5162.28202 5162.285 6.0 1 1 23 73.16 5187.64402 5187.746 6.0 1 1 31 123.34 5221.29935 5221.271 6.0 1 1 17 351.22 5373.76719 5373.494 6.0 1 1 5 422.57 5421.36142 5421.352 6.0 1 1 8 534.40 5495.78591 5495.874 6.0 1 1 43 629.22 5558.72201 5558.702 6.0 1 1 55 701.52 5606.58925 5606.733 6.0 1 1 53 827.31 5689.63094 5689.6401 6.0 1 1 8 acs: add; not Ar 902.83 5739.32317 5739.52 6.0 1 1 16 998.51 5802.10337 5802.08 6.0 1 1 8 acs: increase 1167.03 5912.1644 5912.085 6.0 1 1 47 1192.46 5928.71627 5928.8101 6.0 1 1 20 acs: add 1213.78 5942.57759 5942.6665 6.0 1 1 7 acs: add 1301.02 5999.18912 5998.999 6.0 1 1 7 weak 1323.60 6013.81115 6013.678 6.0 1 1 6 1351.91 6032.12397 6032.127 6.0 1 1 170 1369.29 6043.35462 6043.223 6.0 1 1 67 1394.18 6059.42901 6059.373 6.0 1 1 33 1465.66 6105.49439 6105.635 6.0 1 1 19 1527.92 6145.51167 6145.441 6.0 1 1 18 1764.90 6296.87892 6296.872 6.0 1 1 13 1879.27 6369.36821 6369.575 6.0 1 1 9 1903.60 6384.74668 6384.717 6.0 1 1 33 1953.65 6416.31254 6416.307 6.0 1 1 164 2254.88 6604.76626 6604.853 6.0 1 1 24 2372.04 6677.30541 6677.282 6.0 1 1 434 2494.93 6752.91174 6752.834 6.0 1 1 331 2689.05 6871.31241 6871.289 6.0 1 1 316 2844.96 6965.43228 6965.431 6.0 1 1 56184 2953.24 7030.25805 7030.251 6.0 1 1 319 3015.27 7067.19035 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 35.37097549438477 3015.2705078125 6129.245277327579 953.5756929929052 -14.55361896332516 -1.07095239980706 0.04452596575004006 -0.05057852407979955 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,531] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,531] units Angstroms features 32 35.51 5162.30595 5162.285 6.0 1 1 23 73.26 5187.65211 5187.746 6.0 1 1 31 123.48 5221.34618 5221.271 6.0 1 1 17 351.44 5373.89652 5373.494 6.0 1 0 5 422.58 5421.34874 5421.352 6.0 1 1 8 534.57 5495.88383 5495.874 6.0 1 1 43 629.41 5558.81815 5558.702 6.0 1 1 55 701.66 5606.648 5606.733 6.0 1 1 53 827.42 5689.65569 5689.6401 6.0 1 1 8 acs: add; not Ar 902.98 5739.36413 5739.52 6.0 1 1 16 998.66 5802.124 5802.08 6.0 1 1 8 acs: increase 1167.17 5912.14455 5912.085 6.0 1 1 47 1192.71 5928.76508 5928.8101 6.0 1 1 20 acs: add 1214.03 5942.62342 5942.6665 6.0 1 1 7 acs: add 1300.91 5998.98129 5998.999 6.0 1 1 7 weak 1323.74 6013.76326 6013.678 6.0 1 1 6 1352.12 6032.11739 6032.127 6.0 1 1 170 1369.45 6043.31001 6043.223 6.0 1 1 67 1394.34 6059.37961 6059.373 6.0 1 1 33 1465.94 6105.51312 6105.635 6.0 1 1 19 1528.18 6145.51033 6145.441 6.0 1 1 18 1765.30 6296.94698 6296.872 6.0 1 1 13 1879.82 6369.52927 6369.575 6.0 1 1 9 1903.88 6384.73188 6384.717 6.0 1 1 33 1953.86 6416.25979 6416.307 6.0 1 1 164 2255.22 6604.80882 6604.853 6.0 1 1 24 2372.19 6677.24347 6677.282 6.0 1 1 434 2495.14 6752.90554 6752.834 6.0 1 1 331 2689.21 6871.29396 6871.289 6.0 1 1 316 2845.15 6965.43598 6965.431 6.0 1 1 56184 2953.44 7030.25789 7030.251 6.0 1 1 319 3015.51 7067.20129 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 35.50926589965821 3015.507080078125 6129.261877124718 953.5448305805391 -14.52187806419223 -1.041233363223956 0.01362419943600839 -0.05592548023806159 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,526] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,526] units Angstroms features 32 35.68 5162.29961 5162.285 6.0 1 1 23 73.43 5187.63938 5187.746 6.0 1 1 31 123.70 5221.35804 5221.271 6.0 1 1 17 351.07 5373.51957 5373.494 6.0 1 1 5 422.77 5421.35034 5421.352 6.0 1 1 8 534.74 5495.87726 5495.874 6.0 1 1 43 629.57 5558.82449 5558.702 6.0 1 1 55 701.84 5606.67159 5606.733 6.0 1 1 53 827.47 5689.60002 5689.6401 6.0 1 1 8 acs: add; not Ar 903.16 5739.40089 5739.52 6.0 1 1 16 998.58 5801.99635 5802.08 6.0 1 1 8 acs: increase 1167.36 5912.18835 5912.085 6.0 1 1 47 1192.84 5928.76144 5928.8101 6.0 1 1 20 acs: add 1214.16 5942.62105 5942.6665 6.0 1 1 7 acs: add 1301.40 5999.20631 5998.999 6.0 1 1 7 weak 1323.66 6013.61641 6013.678 6.0 1 1 6 1352.28 6032.11926 6032.127 6.0 1 1 170 1369.65 6043.33995 6043.223 6.0 1 1 67 1394.55 6059.41378 6059.373 6.0 1 1 33 1466.06 6105.48321 6105.635 6.0 1 1 19 1528.33 6145.48926 6145.441 6.0 1 1 18 1765.41 6296.87039 6296.872 6.0 1 1 13 1880.19 6369.61202 6369.575 6.0 1 1 9 1904.13 6384.73753 6384.717 6.0 1 1 33 1954.04 6416.21498 6416.307 6.0 1 1 164 2255.52 6604.84262 6604.853 6.0 1 1 24 2372.37 6677.21108 6677.282 6.0 1 1 434 2495.31 6752.8786 6752.834 6.0 1 1 331 2689.46 6871.32916 6871.289 6.0 1 1 316 2845.35 6965.44955 6965.431 6.0 1 1 56184 2953.58 7030.24096 7030.251 6.0 1 1 319 3015.69 7067.20025 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 35.67757415771484 3015.69482421875 6129.255388692261 953.544722186846 -14.52261082477809 -1.017729463020126 0.0171501303089877 -0.07667199686696507 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,521] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,521] units Angstroms features 32 35.78 5162.26429 5162.285 6.0 1 1 23 73.62 5187.66548 5187.746 6.0 1 1 31 123.88 5221.38916 5221.271 6.0 1 1 17 351.14 5373.47164 5373.494 6.0 1 1 5 422.95 5421.37263 5421.352 6.0 1 1 8 534.90 5495.88375 5495.874 6.0 1 1 43 629.71 5558.80532 5558.702 6.0 1 1 55 702.01 5606.67266 5606.733 6.0 1 1 53 827.60 5689.56961 5689.6401 6.0 1 1 8 acs: add; not Ar 903.38 5739.42976 5739.52 6.0 1 1 16 998.86 5802.06897 5802.08 6.0 1 1 8 acs: increase 1167.50 5912.18564 5912.085 6.0 1 1 47 1192.98 5928.76556 5928.8101 6.0 1 1 20 acs: add 1214.18 5942.5489 5942.6665 6.0 1 1 7 acs: add 1301.58 5999.24249 5998.999 6.0 1 1 7 weak 1323.70 6013.56302 6013.678 6.0 1 1 6 1352.39 6032.12012 6032.127 6.0 1 1 170 1369.73 6043.32358 6043.223 6.0 1 1 67 1394.69 6059.43983 6059.373 6.0 1 1 33 1466.12 6105.46274 6105.635 6.0 1 1 19 1528.52 6145.5638 6145.441 6.0 1 1 18 1765.39 6296.83207 6296.872 6.0 1 1 13 1880.08 6369.51668 6369.575 6.0 1 1 9 1904.22 6384.76815 6384.717 6.0 1 1 33 1954.19 6416.28492 6416.307 6.0 1 1 164 2255.60 6604.83568 6604.853 6.0 1 1 24 2372.55 6677.2475 6677.282 6.0 1 1 434 2495.41 6752.84613 6752.834 6.0 1 1 331 2689.67 6871.33931 6871.289 6.0 1 1 316 2845.53 6965.43842 6965.431 6.0 1 1 56184 2953.76 7030.23805 7030.251 6.0 1 1 319 3015.85 7067.20784 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 35.77971649169922 3015.849609375 6129.24904872601 953.5596121506978 -14.54579749509004 -1.034759091268183 0.03281213891631918 -0.05308094568697986 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,516] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,516] units Angstroms features 32 35.95 5162.29255 5162.285 6.0 1 1 23 73.74 5187.6491 5187.746 6.0 1 1 31 123.98 5221.34773 5221.271 6.0 1 1 17 351.42 5373.53154 5373.494 6.0 1 1 5 423.14 5421.37577 5421.352 6.0 1 1 8 535.05 5495.86116 5495.874 6.0 1 1 43 629.88 5558.80826 5558.702 6.0 1 1 55 702.14 5606.65434 5606.733 6.0 1 1 53 827.74 5689.57651 5689.6401 6.0 1 1 8 acs: add; not Ar 903.52 5739.43713 5739.52 6.0 1 1 16 998.97 5802.06686 5802.08 6.0 1 1 8 acs: increase 1167.58 5912.16974 5912.085 6.0 1 1 47 1193.10 5928.77844 5928.8101 6.0 1 1 20 acs: add 1214.34 5942.58843 5942.6665 6.0 1 1 7 acs: add 1301.77 5999.30608 5998.999 6.0 1 0 7 weak 1323.89 6013.62614 6013.678 6.0 1 1 6 1352.52 6032.14635 6032.127 6.0 1 1 170 1369.87 6043.35355 6043.223 6.0 1 1 67 1394.74 6059.40875 6059.373 6.0 1 1 33 1466.32 6105.53507 6105.635 6.0 1 1 19 1528.73 6145.64027 6145.441 6.0 1 1 18 1765.55 6296.87006 6296.872 6.0 1 1 13 1880.05 6369.43275 6369.575 6.0 1 1 9 1904.30 6384.7552 6384.717 6.0 1 1 33 1954.35 6416.32028 6416.307 6.0 1 1 164 2255.63 6604.78588 6604.853 6.0 1 1 24 2372.68 6677.25787 6677.282 6.0 1 1 434 2495.57 6752.87365 6752.834 6.0 1 1 331 2689.78 6871.32649 6871.289 6.0 1 1 316 2845.71 6965.45213 6965.431 6.0 1 1 56184 2953.97 7030.25975 7030.251 6.0 1 1 319 3016.01 7067.18295 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 35.94944000244141 3016.009521484375 6129.264771796567 953.5580745126258 -14.56882992156864 -1.049050205381555 0.04180949126786775 -0.06382610902181895 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,511] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,511] units Angstroms features 32 36.12 5162.31314 5162.285 6.0 1 1 23 73.84 5187.61775 5187.746 6.0 1 1 31 124.17 5221.36336 5221.271 6.0 1 1 17 351.53 5373.48624 5373.494 6.0 1 1 5 423.38 5421.41812 5421.352 6.0 1 1 8 535.21 5495.85571 5495.874 6.0 1 1 43 630.01 5558.78395 5558.702 6.0 1 1 55 702.33 5606.67831 5606.733 6.0 1 1 53 828.03 5689.66916 5689.6401 6.0 1 1 8 acs: add; not Ar 903.65 5739.43068 5739.52 6.0 1 1 16 998.93 5801.9448 5802.08 6.0 1 1 8 acs: increase 1167.75 5912.18991 5912.085 6.0 1 1 47 1193.23 5928.76803 5928.8101 6.0 1 1 20 acs: add 1214.37 5942.51266 5942.6665 6.0 1 1 7 acs: add 1301.95 5999.3284 5998.999 6.0 1 0 7 weak 1324.10 6013.67064 6013.678 6.0 1 1 6 1352.74 6032.19013 6032.127 6.0 1 1 170 1370.08 6043.39116 6043.223 6.0 1 1 67 1394.97 6059.4586 6059.373 6.0 1 1 33 1466.57 6105.59376 6105.635 6.0 1 1 19 1528.70 6145.51646 6145.441 6.0 1 1 18 1765.64 6296.81092 6296.872 6.0 1 1 13 1880.45 6369.56241 6369.575 6.0 1 1 9 1904.43 6384.71335 6384.717 6.0 1 1 33 1954.49 6416.28329 6416.307 6.0 1 1 164 2255.84 6604.78435 6604.853 6.0 1 1 24 2372.89 6677.25841 6677.282 6.0 1 1 434 2495.80 6752.88856 6752.834 6.0 1 1 331 2689.95 6871.31268 6871.289 6.0 1 1 316 2845.90 6965.45284 6965.431 6.0 1 1 56184 2954.18 7030.26293 7030.251 6.0 1 1 319 3016.22 7067.18237 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 36.12197875976563 3016.22021484375 6129.272888134803 953.5543836483461 -14.5723820832458 -1.044223781575568 0.04724716524532547 -0.07554299228578316 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,506] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,506] units Angstroms features 32 36.12 5162.25017 5162.285 6.0 1 1 23 74.05 5187.7011 5187.746 6.0 1 1 31 124.30 5221.38773 5221.271 6.0 1 1 17 351.53 5373.40698 5373.494 6.0 1 1 5 423.47 5421.3873 5421.352 6.0 1 1 8 535.37 5495.86264 5495.874 6.0 1 1 43 630.17 5558.77604 5558.702 6.0 1 1 55 702.58 5606.71883 5606.733 6.0 1 1 53 828.37 5689.75439 5689.6401 6.0 1 1 8 acs: add; not Ar 903.83 5739.40225 5739.52 6.0 1 1 16 999.27 5802.01377 5802.08 6.0 1 1 8 acs: increase 1167.96 5912.15862 5912.085 6.0 1 1 47 1193.45 5928.74312 5928.8101 6.0 1 1 20 acs: add 1214.61 5942.5001 5942.6665 6.0 1 1 7 acs: add 1302.22 5999.33152 5998.999 6.0 1 0 7 weak 1324.32 6013.63962 6013.678 6.0 1 1 6 1352.94 6032.14211 6032.127 6.0 1 1 170 1370.30 6043.36201 6043.223 6.0 1 1 67 1395.20 6059.43555 6059.373 6.0 1 1 33 1466.92 6105.64333 6105.635 6.0 1 1 19 1529.02 6145.54344 6145.441 6.0 1 1 18 1765.93 6296.81929 6296.872 6.0 1 1 13 1880.84 6369.64038 6369.575 6.0 1 1 9 1904.61 6384.6602 6384.717 6.0 1 1 33 1954.73 6416.26827 6416.307 6.0 1 1 164 2256.11 6604.80324 6604.853 6.0 1 1 24 2373.13 6677.26114 6677.282 6.0 1 1 434 2496.03 6752.88714 6752.834 6.0 1 1 331 2690.15 6871.29145 6871.289 6.0 1 1 316 2846.12 6965.44903 6965.431 6.0 1 1 56184 2954.41 7030.26694 7030.251 6.0 1 1 319 3016.46 7067.18847 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 36.1165771484375 3016.458251953125 6129.217590644543 953.5908973038385 -14.5359285785225 -1.050121390577555 0.03766011478378911 -0.07162326954679831 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,501] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,501] units Angstroms features 32 36.35 5162.27961 5162.285 6.0 1 1 23 74.24 5187.69474 5187.746 6.0 1 1 31 124.42 5221.33517 5221.271 6.0 1 1 17 351.95 5373.53244 5373.494 6.0 1 1 5 423.60 5421.3192 5421.352 6.0 1 1 8 535.54 5495.81641 5495.874 6.0 1 1 43 630.41 5558.78158 5558.702 6.0 1 1 55 702.79 5606.70659 5606.733 6.0 1 1 53 828.45 5689.65866 5689.6401 6.0 1 1 8 acs: add; not Ar 904.13 5739.45333 5739.52 6.0 1 1 16 999.66 5802.12544 5802.08 6.0 1 1 8 acs: increase 1168.19 5912.17174 5912.085 6.0 1 1 47 1193.75 5928.79861 5928.8101 6.0 1 1 20 acs: add 1214.84 5942.51059 5942.6665 6.0 1 1 7 acs: add 1302.06 5999.09202 5998.999 6.0 1 1 7 weak 1324.37 6013.53038 6013.678 6.0 1 1 6 1353.13 6032.13429 6032.127 6.0 1 1 170 1370.49 6043.34496 6043.223 6.0 1 1 67 1395.35 6059.39506 6059.373 6.0 1 1 33 1466.96 6105.53217 6105.635 6.0 1 1 19 1529.23 6145.54631 6145.441 6.0 1 1 18 1766.16 6296.82739 6296.872 6.0 1 1 13 1881.06 6369.63836 6369.575 6.0 1 1 9 1904.93 6384.71996 6384.717 6.0 1 1 33 1955.01 6416.30314 6416.307 6.0 1 1 164 2256.32 6604.76975 6604.853 6.0 1 1 24 2373.41 6677.26742 6677.282 6.0 1 1 434 2496.31 6752.88764 6752.834 6.0 1 1 331 2690.43 6871.28623 6871.289 6.0 1 1 316 2846.39 6965.43501 6965.431 6.0 1 1 56184 2954.72 7030.28464 7030.251 6.0 1 1 319 3016.72 7067.18482 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 36.34658813476562 3016.71728515625 6129.221982834203 953.5752366832742 -14.5404099889837 -1.05242098167647 0.05064198526410567 -0.07020673380969419 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,496] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,496] units Angstroms features 32 36.62 5162.32742 5162.285 6.0 1 1 23 74.36 5187.65953 5187.746 6.0 1 1 31 124.52 5221.30166 5221.271 6.0 1 1 17 352.07 5373.52926 5373.494 6.0 1 1 5 423.74 5421.32116 5421.352 6.0 1 1 8 535.79 5495.87405 5495.874 6.0 1 1 43 630.66 5558.82584 5558.702 6.0 1 1 55 702.98 5606.6969 5606.733 6.0 1 1 53 828.56 5689.57308 5689.6401 6.0 1 1 8 acs: add; not Ar 904.37 5739.44463 5739.52 6.0 1 1 16 999.85 5802.07316 5802.08 6.0 1 1 8 acs: increase 1168.44 5912.15157 5912.085 6.0 1 1 47 1193.94 5928.73918 5928.8101 6.0 1 1 20 acs: add 1215.36 5942.66683 5942.6665 6.0 1 1 7 acs: add 1302.22 5999.01403 5998.999 6.0 1 1 7 weak 1324.40 6013.37284 6013.678 6.0 1 0 6 1353.41 6032.13195 6032.127 6.0 1 1 170 1370.73 6043.32252 6043.223 6.0 1 1 67 1395.66 6059.41955 6059.373 6.0 1 1 33 1467.19 6105.5122 6105.635 6.0 1 1 19 1529.44 6145.50898 6145.441 6.0 1 1 18 1766.41 6296.84093 6296.872 6.0 1 1 13 1881.17 6369.56511 6369.575 6.0 1 1 9 1905.21 6384.75577 6384.717 6.0 1 1 33 1955.22 6416.29531 6416.307 6.0 1 1 164 2256.58 6604.79233 6604.853 6.0 1 1 24 2373.66 6677.27226 6677.282 6.0 1 1 434 2496.56 6752.87697 6752.834 6.0 1 1 331 2690.75 6871.30247 6871.289 6.0 1 1 316 2846.65 6965.415 6965.431 6.0 1 1 56184 2955.00 7030.28614 7030.251 6.0 1 1 319 3016.98 7067.18991 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 36.61536407470704 3016.97998046875 6129.246632300825 953.5332326752993 -14.52847933594124 -1.057485044561325 0.04050938773038953 -0.04450129069313923 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,491] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,491] units Angstroms features 32 36.66 5162.28498 5162.285 6.0 1 1 23 74.56 5187.70878 5187.746 6.0 1 1 31 124.71 5221.32418 5221.271 6.0 1 1 17 352.14 5373.45048 5373.494 6.0 1 1 5 423.95 5421.34004 5421.352 6.0 1 1 8 535.99 5495.89251 5495.874 6.0 1 1 43 630.81 5558.816 5558.702 6.0 1 1 55 703.14 5606.69769 5606.733 6.0 1 1 53 828.79 5689.62629 5689.6401 6.0 1 1 8 acs: add; not Ar 904.48 5739.41659 5739.52 6.0 1 1 16 1000.09 5802.13905 5802.08 6.0 1 1 8 acs: increase 1168.64 5912.18494 5912.085 6.0 1 1 47 1194.03 5928.69982 5928.8101 6.0 1 1 20 acs: add 1215.36 5942.57008 5942.6665 6.0 1 1 7 acs: add 1302.72 5999.23189 5998.999 6.0 1 0 7 weak 1324.98 6013.64079 6013.678 6.0 1 1 6 1353.62 6032.16104 6032.127 6.0 1 1 170 1370.88 6043.314 6043.223 6.0 1 1 67 1395.80 6059.40136 6059.373 6.0 1 1 33 1467.53 6105.61171 6105.635 6.0 1 1 19 1529.59 6145.49249 6145.441 6.0 1 1 18 1766.69 6296.88469 6296.872 6.0 1 1 13 1881.48 6369.62739 6369.575 6.0 1 1 9 1905.24 6384.63859 6384.717 6.0 1 1 33 1955.38 6416.2602 6416.307 6.0 1 1 164 2256.96 6604.90959 6604.853 6.0 1 1 24 2373.77 6677.23155 6677.282 6.0 1 1 434 2496.66 6752.84087 6752.834 6.0 1 1 331 2690.85 6871.28598 6871.289 6.0 1 1 316 2846.83 6965.45068 6965.431 6.0 1 1 56184 2955.12 7030.27019 7030.251 6.0 1 1 319 3017.16 7067.19216 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 36.66286849975586 3017.156494140625 6129.214252577799 953.5748117500556 -14.51586752100841 -1.056117422497573 0.04018443197688049 -0.06510791226723054 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,486] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,486] units Angstroms features 32 36.86 5162.28292 5162.285 6.0 1 1 23 74.75 5187.70434 5187.746 6.0 1 1 31 124.87 5221.30396 5221.271 6.0 1 1 17 352.39 5373.49884 5373.494 6.0 1 1 5 424.22 5421.40172 5421.352 6.0 1 1 8 536.11 5495.85435 5495.874 6.0 1 1 43 630.96 5558.80156 5558.702 6.0 1 1 55 703.26 5606.66196 5606.733 6.0 1 1 53 828.92 5689.6065 5689.6401 6.0 1 1 8 acs: add; not Ar 904.58 5739.38118 5739.52 6.0 1 1 16 1000.23 5802.13014 5802.08 6.0 1 1 8 acs: increase 1168.76 5912.17167 5912.085 6.0 1 1 47 1194.28 5928.77159 5928.8101 6.0 1 1 20 acs: add 1215.35 5942.47214 5942.6665 6.0 1 1 7 acs: add 1302.80 5999.19903 5998.999 6.0 1 1 7 weak 1325.18 6013.68691 6013.678 6.0 1 1 6 1353.75 6032.16379 6032.127 6.0 1 1 170 1371.01 6043.31228 6043.223 6.0 1 1 67 1395.85 6059.35096 6059.373 6.0 1 1 33 1467.54 6105.53939 6105.635 6.0 1 1 19 1529.72 6145.49238 6145.441 6.0 1 1 18 1766.86 6296.91608 6296.872 6.0 1 1 13 1881.58 6369.6174 6369.575 6.0 1 1 9 1905.23 6384.55665 6384.717 6.0 1 1 33 1955.55 6416.29396 6416.307 6.0 1 1 164 2257.04 6604.87713 6604.853 6.0 1 1 24 2373.97 6677.27018 6677.282 6.0 1 1 434 2496.82 6752.85666 6752.834 6.0 1 1 331 2690.98 6871.27829 6871.289 6.0 1 1 316 2846.99 6965.45094 6965.431 6.0 1 1 56184 2955.27 7030.26443 7030.251 6.0 1 1 319 3017.32 7067.19438 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 36.85712432861328 3017.321533203125 6129.229368956766 953.580105602082 -14.53339767890534 -1.060073330555074 0.04267732507565925 -0.06430187168915171 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,481] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,481] units Angstroms features 32 37.16 5162.31941 5162.285 6.0 1 1 23 74.96 5187.68668 5187.746 6.0 1 1 31 124.99 5221.24003 5221.271 6.0 1 1 17 352.73 5373.60792 5373.494 6.0 1 1 5 424.35 5421.37681 5421.352 6.0 1 1 8 536.27 5495.84965 5495.874 6.0 1 1 43 631.09 5558.7705 5558.702 6.0 1 1 55 703.45 5606.67557 5606.733 6.0 1 1 53 829.13 5689.62159 5689.6401 6.0 1 1 8 acs: add; not Ar 904.72 5739.35309 5739.52 6.0 1 1 16 1000.28 5802.03331 5802.08 6.0 1 1 8 acs: increase 1168.89 5912.11956 5912.085 6.0 1 1 47 1194.46 5928.75851 5928.8101 6.0 1 1 20 acs: add 1215.93 5942.71415 5942.6665 6.0 1 1 7 acs: add 1302.90 5999.12819 5998.999 6.0 1 1 7 weak 1325.44 6013.72174 6013.678 6.0 1 1 6 1353.87 6032.10725 6032.127 6.0 1 1 170 1371.25 6043.33247 6043.223 6.0 1 1 67 1396.11 6059.38043 6059.373 6.0 1 1 33 1467.69 6105.50631 6105.635 6.0 1 1 19 1529.90 6145.47509 6145.441 6.0 1 1 18 1767.02 6296.89264 6296.872 6.0 1 1 13 1881.77 6369.61589 6369.575 6.0 1 1 9 1905.53 6384.62509 6384.717 6.0 1 1 33 1955.78 6416.31649 6416.307 6.0 1 1 164 2257.07 6604.77918 6604.853 6.0 1 1 24 2374.16 6677.26971 6677.282 6.0 1 1 434 2497.04 6752.87236 6752.834 6.0 1 1 331 2691.26 6871.31945 6871.289 6.0 1 1 316 2847.20 6965.43515 6965.431 6.0 1 1 56184 2955.56 7030.28868 7030.251 6.0 1 1 319 3017.54 7067.17084 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 37.16185760498047 3017.53564453125 6129.263702829136 953.5406899048883 -14.54739825105527 -1.057662335395142 0.02881948313688753 -0.0573135682135218 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,476] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,476] units Angstroms features 32 37.30 5162.30581 5162.285 6.0 1 1 23 75.15 5187.68059 5187.746 6.0 1 1 31 125.27 5221.26731 5221.271 6.0 1 1 17 353.13 5373.68639 5373.494 6.0 1 1 5 424.49 5421.28384 5421.352 6.0 1 1 8 536.46 5495.81316 5495.874 6.0 1 1 43 631.26 5558.73666 5558.702 6.0 1 1 55 703.71 5606.71335 5606.733 6.0 1 1 53 829.33 5689.64527 5689.6401 6.0 1 1 8 acs: add; not Ar 904.98 5739.4231 5739.52 6.0 1 1 16 1000.36 5802.00026 5802.08 6.0 1 1 8 acs: increase 1169.12 5912.1901 5912.085 6.0 1 1 47 1194.75 5928.86296 5928.8101 6.0 1 1 20 acs: add 1216.00 5942.67689 5942.6665 6.0 1 1 7 acs: add 1302.88 5999.02759 5998.999 6.0 1 1 7 weak 1325.19 6013.46463 6013.678 6.0 1 1 6 1354.05 6032.12437 6032.127 6.0 1 1 170 1371.44 6043.35763 6043.223 6.0 1 1 67 1396.46 6059.50522 6059.373 6.0 1 1 33 1467.94 6105.55404 6105.635 6.0 1 1 19 1530.01 6145.42921 6145.441 6.0 1 1 18 1767.12 6296.79821 6296.872 6.0 1 1 13 1882.23 6369.73002 6369.575 6.0 1 1 9 1905.95 6384.71675 6384.717 6.0 1 1 33 1956.00 6416.27933 6416.307 6.0 1 1 164 2257.37 6604.7863 6604.853 6.0 1 1 24 2374.32 6677.20248 6677.282 6.0 1 1 434 2497.26 6752.85346 6752.834 6.0 1 1 331 2691.51 6871.34255 6871.289 6.0 1 1 316 2847.43 6965.4594 6965.431 6.0 1 1 56184 2955.79 7030.29462 7030.251 6.0 1 1 319 3017.76 7067.15221 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 37.30261993408203 3017.75634765625 6129.23695402186 953.5615318353674 -14.55376860370407 -1.043171255885369 0.04582188209593991 -0.09516158741690068 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,471] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,471] units Angstroms features 32 37.35 5162.26077 5162.285 6.0 1 1 23 75.38 5187.74925 5187.746 6.0 1 1 31 125.37 5221.24015 5221.271 6.0 1 1 17 353.32 5373.68785 5373.494 6.0 1 1 5 424.75 5421.32463 5421.352 6.0 1 1 8 536.62 5495.77961 5495.874 6.0 1 1 43 631.48 5558.74544 5558.702 6.0 1 1 55 703.90 5606.70262 5606.733 6.0 1 1 53 829.44 5689.58276 5689.6401 6.0 1 1 8 acs: add; not Ar 905.21 5739.44125 5739.52 6.0 1 1 16 1000.64 5802.0488 5802.08 6.0 1 1 8 acs: increase 1169.31 5912.17864 5912.085 6.0 1 1 47 1195.01 5928.89618 5928.8101 6.0 1 1 20 acs: add 1216.11 5942.61353 5942.6665 6.0 1 1 7 acs: add 1303.10 5999.03548 5998.999 6.0 1 1 7 weak 1325.52 6013.54319 6013.678 6.0 1 1 6 1354.29 6032.14771 6032.127 6.0 1 1 170 1371.65 6043.35864 6043.223 6.0 1 1 67 1396.51 6059.40495 6059.373 6.0 1 1 33 1468.16 6105.56038 6105.635 6.0 1 1 19 1530.29 6145.47289 6145.441 6.0 1 1 18 1767.35 6296.80658 6296.872 6.0 1 1 13 1882.27 6369.61288 6369.575 6.0 1 1 9 1906.28 6384.77985 6384.717 6.0 1 1 33 1956.23 6416.27882 6416.307 6.0 1 1 164 2257.67 6604.823 6604.853 6.0 1 1 24 2374.52 6677.17652 6677.282 6.0 1 1 434 2497.53 6752.86651 6752.834 6.0 1 1 331 2691.75 6871.34395 6871.289 6.0 1 1 316 2847.66 6965.45698 6965.431 6.0 1 1 56184 2955.98 7030.2817 7030.251 6.0 1 1 319 3017.98 7067.1622 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 37.35095596313477 3017.981689453125 6129.192471606872 953.5956993667372 -14.53787105394357 -1.047207726928204 0.0568834432347005 -0.09777448465336506 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,466] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,466] units Angstroms features 32 37.49 5162.24095 5162.285 6.0 1 1 23 75.57 5187.7746 5187.746 6.0 1 1 31 125.49 5221.23524 5221.271 6.0 1 1 17 353.33 5373.62435 5373.494 6.0 1 1 5 424.95 5421.39089 5421.352 6.0 1 1 8 536.80 5495.82252 5495.874 6.0 1 1 43 631.64 5558.76345 5558.702 6.0 1 1 55 704.07 5606.71551 5606.733 6.0 1 1 53 829.45 5689.47587 5689.6401 6.0 1 1 8 acs: add; not Ar 905.31 5739.38396 5739.52 6.0 1 1 16 1000.94 5802.11461 5802.08 6.0 1 1 8 acs: increase 1169.49 5912.1571 5912.085 6.0 1 1 47 1195.04 5928.77894 5928.8101 6.0 1 1 20 acs: add 1216.37 5942.64242 5942.6665 6.0 1 1 7 acs: add 1303.73 5999.29873 5998.999 6.0 1 0 7 weak 1326.13 6013.79819 6013.678 6.0 1 1 6 1354.49 6032.13655 6032.127 6.0 1 1 170 1371.83 6043.33334 6043.223 6.0 1 1 67 1396.69 6059.37801 6059.373 6.0 1 1 33 1468.36 6105.54827 6105.635 6.0 1 1 19 1530.61 6145.54075 6145.441 6.0 1 1 18 1767.53 6296.7987 6296.872 6.0 1 1 13 1882.34 6369.53867 6369.575 6.0 1 1 9 1906.37 6384.71588 6384.717 6.0 1 1 33 1956.45 6416.29622 6416.307 6.0 1 1 164 2257.90 6604.85168 6604.853 6.0 1 1 24 2374.78 6677.21409 6677.282 6.0 1 1 434 2497.73 6752.8632 6752.834 6.0 1 1 331 2691.97 6871.33758 6871.289 6.0 1 1 316 2847.88 6965.44939 6965.431 6.0 1 1 56184 2956.19 7030.26781 7030.251 6.0 1 1 319 3018.23 7067.17595 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 37.49459457397461 3018.22802734375 6129.199199825258 953.59517655322 -14.53435620783796 -1.047534983553567 0.04360595945151707 -0.08014220276685245 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,461] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,461] units Angstroms features 32 37.78 5162.25291 5162.285 6.0 1 1 23 75.70 5187.69569 5187.746 6.0 1 1 31 125.85 5221.31731 5221.271 6.0 1 1 17 353.55 5373.64591 5373.494 6.0 1 1 5 425.07 5421.34101 5421.352 6.0 1 1 8 537.03 5495.84586 5495.874 6.0 1 1 43 631.79 5558.73171 5558.702 6.0 1 1 55 704.25 5606.70245 5606.733 6.0 1 1 53 829.75 5689.52918 5689.6401 6.0 1 1 8 acs: add; not Ar 905.64 5739.45411 5739.52 6.0 1 1 16 1000.92 5801.94957 5802.08 6.0 1 1 8 acs: increase 1169.74 5912.16399 5912.085 6.0 1 1 47 1195.26 5928.76889 5928.8101 6.0 1 1 20 acs: add 1216.78 5942.75338 5942.6665 6.0 1 1 7 acs: add 1303.74 5999.15507 5998.999 6.0 1 1 7 weak 1326.21 6013.69563 6013.678 6.0 1 1 6 1354.68 6032.10383 6032.127 6.0 1 1 170 1372.00 6043.29249 6043.223 6.0 1 1 67 1396.95 6059.39822 6059.373 6.0 1 1 33 1468.69 6105.60753 6105.635 6.0 1 1 19 1530.65 6145.41625 6145.441 6.0 1 1 18 1767.68 6296.74819 6296.872 6.0 1 1 13 1882.64 6369.59062 6369.575 6.0 1 1 9 1906.69 6384.78708 6384.717 6.0 1 1 33 1956.67 6416.30661 6416.307 6.0 1 1 164 2257.94 6604.75368 6604.853 6.0 1 1 24 2375.02 6677.24048 6677.282 6.0 1 1 434 2497.98 6752.88925 6752.834 6.0 1 1 331 2692.18 6871.33233 6871.289 6.0 1 1 316 2848.13 6965.45246 6965.431 6.0 1 1 56184 2956.46 7030.27113 7030.251 6.0 1 1 319 3018.50 7067.17088 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 37.77768325805664 3018.4951171875 6129.231154706007 953.5821785592124 -14.54564515018517 -1.049822280353322 0.02638618770552075 -0.07337339505322825 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,456] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,456] units Angstroms features 32 38.01 5162.25069 5162.285 6.0 1 1 23 75.95 5187.71522 5187.746 6.0 1 1 31 126.07 5221.32523 5221.271 6.0 1 1 17 353.60 5373.5576 5373.494 6.0 1 1 5 425.22 5421.32725 5421.352 6.0 1 1 8 537.26 5495.87866 5495.874 6.0 1 1 43 632.06 5558.7828 5558.702 6.0 1 1 55 704.46 5606.70874 5606.733 6.0 1 1 53 830.02 5689.57079 5689.6401 6.0 1 1 8 acs: add; not Ar 905.90 5739.48545 5739.52 6.0 1 1 16 1001.09 5801.91951 5802.08 6.0 1 1 8 acs: increase 1169.96 5912.16218 5912.085 6.0 1 1 47 1195.51 5928.78697 5928.8101 6.0 1 1 20 acs: add 1216.81 5942.63104 5942.6665 6.0 1 1 7 acs: add 1303.86 5999.09203 5998.999 6.0 1 1 7 weak 1326.48 6013.72742 6013.678 6.0 1 1 6 1354.94 6032.13183 6032.127 6.0 1 1 170 1372.30 6043.34617 6043.223 6.0 1 1 67 1397.11 6059.35896 6059.373 6.0 1 1 33 1468.89 6105.60116 6105.635 6.0 1 1 19 1530.87 6145.42025 6145.441 6.0 1 1 18 1767.91 6296.76886 6296.872 6.0 1 1 13 1882.98 6369.68261 6369.575 6.0 1 1 9 1906.85 6384.75913 6384.717 6.0 1 1 33 1956.88 6416.30996 6416.307 6.0 1 1 164 2258.05 6604.68761 6604.853 6.0 1 1 24 2375.24 6677.23413 6677.282 6.0 1 1 434 2498.24 6752.90136 6752.834 6.0 1 1 331 2692.49 6871.35408 6871.289 6.0 1 1 316 2848.40 6965.44166 6965.431 6.0 1 1 56184 2956.74 7030.2783 7030.251 6.0 1 1 319 3018.75 7067.16605 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 38.01305770874023 3018.746337890625 6129.244074969087 953.5657594252006 -14.55841900272957 -1.048407082512181 0.0227134322946714 -0.05967534151132838 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,451] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,451] units Angstroms features 32 38.15 5162.25117 5162.285 6.0 1 1 23 76.11 5187.73163 5187.746 6.0 1 1 31 126.24 5221.35232 5221.271 6.0 1 1 17 353.53 5373.42465 5373.494 6.0 1 1 5 425.36 5421.32786 5421.352 6.0 1 1 8 537.42 5495.89093 5495.874 6.0 1 1 43 632.29 5558.83997 5558.702 6.0 1 1 55 704.65 5606.73312 5606.733 6.0 1 1 53 830.23 5689.60068 5689.6401 6.0 1 1 8 acs: add; not Ar 906.01 5739.44717 5739.52 6.0 1 1 16 1001.46 5802.04838 5802.08 6.0 1 1 8 acs: increase 1170.19 5912.18889 5912.085 6.0 1 1 47 1195.65 5928.75087 5928.8101 6.0 1 1 20 acs: add 1216.95 5942.59283 5942.6665 6.0 1 1 7 acs: add 1304.39 5999.29971 5998.999 6.0 1 0 7 weak 1326.55 6013.63729 6013.678 6.0 1 1 6 1355.20 6032.1642 6032.127 6.0 1 1 170 1372.51 6043.34437 6043.223 6.0 1 1 67 1397.30 6059.34195 6059.373 6.0 1 1 33 1469.05 6105.56599 6105.635 6.0 1 1 19 1531.22 6145.50053 6145.441 6.0 1 1 18 1768.42 6296.93972 6296.872 6.0 1 1 13 1883.07 6369.58069 6369.575 6.0 1 1 9 1907.04 6384.72345 6384.717 6.0 1 1 33 1957.05 6416.25943 6416.307 6.0 1 1 164 2258.49 6604.78844 6604.853 6.0 1 1 24 2375.54 6677.24531 6677.282 6.0 1 1 434 2498.51 6752.89721 6752.834 6.0 1 1 331 2692.66 6871.29264 6871.289 6.0 1 1 316 2848.65 6965.43734 6965.431 6.0 1 1 56184 2957.00 7030.2844 7030.251 6.0 1 1 319 3019.00 7067.18128 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 38.1529426574707 3018.999267578125 6129.238631558 953.5557263775948 -14.54495790889266 -1.033919766031797 0.02255158846233612 -0.05675360376010116 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,446] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,446] units Angstroms features 32 38.30 5162.24781 5162.285 6.0 1 1 23 76.27 5187.72183 5187.746 6.0 1 1 31 126.42 5221.34861 5221.271 6.0 1 1 17 353.81 5373.45538 5373.494 6.0 1 1 5 425.71 5421.4007 5421.352 6.0 1 1 8 537.62 5495.85132 5495.874 6.0 1 1 43 632.50 5558.80506 5558.702 6.0 1 1 55 704.84 5606.68665 5606.733 6.0 1 1 53 830.47 5689.59025 5689.6401 6.0 1 1 8 acs: add; not Ar 906.18 5739.38877 5739.52 6.0 1 1 16 1001.79 5802.09184 5802.08 6.0 1 1 8 acs: increase 1170.39 5912.15563 5912.085 6.0 1 1 47 1196.02 5928.82557 5928.8101 6.0 1 1 20 acs: add 1217.31 5942.66283 5942.6665 6.0 1 1 7 acs: add 1304.50 5999.21137 5998.999 6.0 1 1 7 weak 1326.61 6013.51922 6013.678 6.0 1 1 6 1355.35 6032.10566 6032.127 6.0 1 1 170 1372.71 6043.31581 6043.223 6.0 1 1 67 1397.60 6059.38179 6059.373 6.0 1 1 33 1469.12 6105.45188 6105.635 6.0 1 1 19 1531.49 6145.51994 6145.441 6.0 1 1 18 1768.74 6296.99315 6296.872 6.0 1 1 13 1883.24 6369.5368 6369.575 6.0 1 1 9 1907.18 6384.6584 6384.717 6.0 1 1 33 1957.26 6416.24093 6416.307 6.0 1 1 164 2258.92 6604.90267 6604.853 6.0 1 1 24 2375.78 6677.2426 6677.282 6.0 1 1 434 2498.72 6752.86814 6752.834 6.0 1 1 331 2692.89 6871.27874 6871.289 6.0 1 1 316 2848.87 6965.42457 6965.431 6.0 1 1 56184 2957.26 7030.29904 7030.251 6.0 1 1 319 3019.23 7067.18074 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 38.3001594543457 3019.234863281251 6129.21033437531 953.5721340299136 -14.53056601708706 -1.046626255108779 0.03450499395784112 -0.05903986117673534 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,441] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,441] units Angstroms features 32 38.50 5162.27316 5162.285 6.0 1 1 23 76.41 5187.70878 5187.746 6.0 1 1 31 126.56 5221.33818 5221.271 6.0 1 1 17 353.87 5373.37678 5373.494 6.0 1 1 5 426.00 5421.46618 5421.352 6.0 1 1 8 537.88 5495.89579 5495.874 6.0 1 1 43 632.68 5558.78196 5558.702 6.0 1 1 55 705.01 5606.65293 5606.733 6.0 1 1 53 830.83 5689.67341 5689.6401 6.0 1 1 8 acs: add; not Ar 906.36 5739.35115 5739.52 6.0 1 1 16 1002.00 5802.07809 5802.08 6.0 1 1 8 acs: increase 1170.58 5912.12809 5912.085 6.0 1 1 47 1196.30 5928.86001 5928.8101 6.0 1 1 20 acs: add 1217.57 5942.68646 5942.6665 6.0 1 1 7 acs: add 1304.52 5999.08139 5998.999 6.0 1 1 7 weak 1326.93 6013.58383 6013.678 6.0 1 1 6 1355.50 6032.06139 6032.127 6.0 1 1 170 1372.90 6043.30111 6043.223 6.0 1 1 67 1397.82 6059.38647 6059.373 6.0 1 1 33 1469.40 6105.50049 6105.635 6.0 1 1 19 1531.80 6145.59574 6145.441 6.0 1 1 18 1768.78 6296.90913 6296.872 6.0 1 1 13 1883.33 6369.49257 6369.575 6.0 1 1 9 1907.48 6384.74793 6384.717 6.0 1 1 33 1957.44 6416.24919 6416.307 6.0 1 1 164 2259.06 6604.88319 6604.853 6.0 1 1 24 2375.98 6677.25176 6677.282 6.0 1 1 434 2498.90 6752.85834 6752.834 6.0 1 1 331 2693.13 6871.29017 6871.289 6.0 1 1 316 2849.11 6965.42615 6965.431 6.0 1 1 56184 2957.47 7030.2828 7030.251 6.0 1 1 319 3019.48 7067.1911 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 38.49862670898437 3019.4755859375 6129.22411625438 953.5704628895486 -14.52918914211017 -1.06647143433033 0.03720581091759703 -0.04502151251656523 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,436] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,436] units Angstroms features 32 38.69 5162.28622 5162.285 6.0 1 1 23 76.53 5187.67635 5187.746 6.0 1 1 31 126.79 5221.37146 5221.271 6.0 1 1 17 353.98 5373.32501 5373.494 6.0 1 1 5 426.23 5421.49426 5421.352 6.0 1 1 8 538.07 5495.88774 5495.874 6.0 1 1 43 632.84 5558.7495 5558.702 6.0 1 1 55 705.26 5606.68158 5606.733 6.0 1 1 53 831.20 5689.7759 5689.6401 6.0 1 1 8 acs: add; not Ar 906.64 5739.39505 5739.52 6.0 1 1 16 1002.10 5801.99691 5802.08 6.0 1 1 8 acs: increase 1170.82 5912.14097 5912.085 6.0 1 1 47 1196.28 5928.70459 5928.8101 6.0 1 1 20 acs: add 1217.67 5942.61086 5942.6665 6.0 1 1 7 acs: add 1304.91 5999.1978 5998.999 6.0 1 1 7 weak 1327.09 6013.55257 6013.678 6.0 1 1 6 1355.78 6032.10441 6032.127 6.0 1 1 170 1373.13 6043.31251 6043.223 6.0 1 1 67 1398.03 6059.38314 6059.373 6.0 1 1 33 1469.66 6105.5353 6105.635 6.0 1 1 19 1532.05 6145.62201 6145.441 6.0 1 1 18 1768.94 6296.88493 6296.872 6.0 1 1 13 1883.52 6369.48766 6369.575 6.0 1 1 9 1907.69 6384.75825 6384.717 6.0 1 1 33 1957.68 6416.28336 6416.307 6.0 1 1 164 2259.09 6604.78587 6604.853 6.0 1 1 24 2376.21 6677.27694 6677.282 6.0 1 1 434 2499.18 6752.90772 6752.834 6.0 1 1 331 2693.32 6871.27011 6871.289 6.0 1 1 316 2849.36 6965.4248 6965.431 6.0 1 1 56184 2957.78 7030.30564 7030.251 6.0 1 1 319 3019.74 7067.1743 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 38.69116973876953 3019.73583984375 6129.234353365082 953.5716511499489 -14.53609312200534 -1.08298348760276 0.03199883907261286 -0.04462414881882894 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,431] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,431] units Angstroms features 32 38.91 5162.30162 5162.285 6.0 1 1 23 76.72 5187.67102 5187.746 6.0 1 1 31 126.98 5221.37078 5221.271 6.0 1 1 17 354.13 5373.29416 5373.494 6.0 1 1 5 426.43 5421.49306 5421.352 6.0 1 1 8 538.25 5495.87757 5495.874 6.0 1 1 43 633.05 5558.76192 5558.702 6.0 1 1 55 705.48 5606.69484 5606.733 6.0 1 1 53 831.40 5689.78306 5689.6401 6.0 1 1 8 acs: add; not Ar 906.84 5739.39851 5739.52 6.0 1 1 16 1002.40 5802.06896 5802.08 6.0 1 1 8 acs: increase 1171.01 5912.13756 5912.085 6.0 1 1 47 1196.40 5928.65157 5928.8101 6.0 1 1 20 acs: add 1217.69 5942.48752 5942.6665 6.0 1 1 7 acs: add 1305.19 5999.2459 5998.999 6.0 1 1 7 weak 1327.38 6013.60795 6013.678 6.0 1 1 6 1356.03 6032.13115 6032.127 6.0 1 1 170 1373.33 6043.30351 6043.223 6.0 1 1 67 1398.39 6059.48436 6059.373 6.0 1 1 33 1469.85 6105.51813 6105.635 6.0 1 1 19 1532.03 6145.46769 6145.441 6.0 1 1 18 1769.17 6296.87718 6296.872 6.0 1 1 13 1883.94 6369.60188 6369.575 6.0 1 1 9 1907.80 6384.66843 6384.717 6.0 1 1 33 1958.00 6416.3241 6416.307 6.0 1 1 164 2259.42 6604.82239 6604.853 6.0 1 1 24 2376.44 6677.24563 6677.282 6.0 1 1 434 2499.44 6752.89529 6752.834 6.0 1 1 331 2693.61 6871.2791 6871.289 6.0 1 1 316 2849.60 6965.41392 6965.431 6.0 1 1 56184 2958.01 7030.2955 7030.251 6.0 1 1 319 3020.00 7067.18945 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 38.91362762451172 3019.99609375 6129.242921280054 953.5577797803626 -14.53595756808493 -1.069895550689414 0.03857215426596996 -0.04397202810299009 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,426] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,426] units Angstroms features 32 39.13 5162.30534 5162.285 6.0 1 1 23 76.96 5187.6866 5187.746 6.0 1 1 31 127.13 5221.33009 5221.271 6.0 1 1 17 354.48 5373.40035 5373.494 6.0 1 1 5 426.47 5421.39356 5421.352 6.0 1 1 8 538.45 5495.88657 5495.874 6.0 1 1 43 633.25 5558.77132 5558.702 6.0 1 1 55 705.70 5606.71798 5606.733 6.0 1 1 53 831.54 5689.74579 5689.6401 6.0 1 1 8 acs: add; not Ar 907.03 5739.39981 5739.52 6.0 1 1 16 1002.56 5802.04896 5802.08 6.0 1 1 8 acs: increase 1171.21 5912.13613 5912.085 6.0 1 1 47 1196.59 5928.64675 5928.8101 6.0 1 1 20 acs: add 1217.92 5942.51056 5942.6665 6.0 1 1 7 acs: add 1305.25 5999.15363 5998.999 6.0 1 1 7 weak 1327.75 6013.71305 6013.678 6.0 1 1 6 1356.23 6032.13017 6032.127 6.0 1 1 170 1373.53 6043.3021 6043.223 6.0 1 1 67 1398.69 6059.54142 6059.373 6.0 1 1 33 1470.08 6105.53408 6105.635 6.0 1 1 19 1532.15 6145.40719 6145.441 6.0 1 1 18 1769.43 6296.90019 6296.872 6.0 1 1 13 1884.05 6369.52055 6369.575 6.0 1 1 9 1908.07 6384.69118 6384.717 6.0 1 1 33 1958.23 6416.31892 6416.307 6.0 1 1 164 2259.77 6604.87359 6604.853 6.0 1 1 24 2376.70 6677.24032 6677.282 6.0 1 1 434 2499.69 6752.87708 6752.834 6.0 1 1 331 2693.90 6871.28743 6871.289 6.0 1 1 316 2849.87 6965.41398 6965.431 6.0 1 1 56184 2958.21 7030.27232 7030.251 6.0 1 1 319 3020.25 7067.20669 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 39.13365173339843 3020.25 6129.251506667653 953.5453311356014 -14.53819562473417 -1.054259207796822 0.04270541857228459 -0.04039606297764492 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,421] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,421] units Angstroms features 32 39.34 5162.27688 5162.285 6.0 1 1 23 77.24 5187.69862 5187.746 6.0 1 1 31 127.36 5221.29619 5221.271 6.0 1 1 17 355.07 5373.60776 5373.494 6.0 1 1 5 426.63 5421.32246 5421.352 6.0 1 1 8 538.64 5495.84969 5495.874 6.0 1 1 43 633.45 5558.76396 5558.702 6.0 1 1 55 705.90 5606.71955 5606.733 6.0 1 1 53 831.54 5689.63053 5689.6401 6.0 1 1 8 acs: add; not Ar 907.21 5739.40328 5739.52 6.0 1 1 16 1002.63 5801.98062 5802.08 6.0 1 1 8 acs: increase 1171.50 5912.21779 5912.085 6.0 1 1 47 1196.82 5928.68393 5928.8101 6.0 1 1 20 acs: add 1218.19 5942.56797 5942.6665 6.0 1 1 7 acs: add 1305.37 5999.10347 5998.999 6.0 1 1 7 weak 1328.41 6014.0127 6013.678 6.0 1 0 6 1356.46 6032.15041 6032.127 6.0 1 1 170 1373.76 6043.32535 6043.223 6.0 1 1 67 1398.78 6059.47085 6059.373 6.0 1 1 33 1470.33 6105.55202 6105.635 6.0 1 1 19 1532.65 6145.58189 6145.441 6.0 1 1 18 1769.56 6296.81378 6296.872 6.0 1 1 13 1884.30 6369.5001 6369.575 6.0 1 1 9 1908.33 6384.68151 6384.717 6.0 1 1 33 1958.50 6416.31052 6416.307 6.0 1 1 164 2259.99 6604.85308 6604.853 6.0 1 1 24 2376.93 6677.24031 6677.282 6.0 1 1 434 2499.89 6752.87857 6752.834 6.0 1 1 331 2694.10 6871.30322 6871.289 6.0 1 1 316 2850.10 6965.44193 6965.431 6.0 1 1 56184 2958.49 7030.29071 7030.251 6.0 1 1 319 3020.49 7067.16878 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 39.33785247802734 3020.494140625 6129.243608529041 953.5659556593995 -14.55353102740998 -1.047180430646956 0.03275194510770262 -0.07282394293263049 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,416] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,416] units Angstroms features 32 39.59 5162.29247 5162.285 6.0 1 1 23 77.41 5187.66683 5187.746 6.0 1 1 31 127.58 5221.31581 5221.271 6.0 1 1 17 355.03 5373.47352 5373.494 6.0 1 1 5 426.99 5421.46281 5421.352 6.0 1 1 8 538.81 5495.86062 5495.874 6.0 1 1 43 633.77 5558.87091 5558.702 6.0 1 1 55 706.05 5606.71164 5606.733 6.0 1 1 53 831.50 5689.48446 5689.6401 6.0 1 1 8 acs: add; not Ar 907.37 5739.38639 5739.52 6.0 1 1 16 1002.79 5801.95805 5802.08 6.0 1 1 8 acs: increase 1171.72 5912.21157 5912.085 6.0 1 1 47 1197.14 5928.74179 5928.8101 6.0 1 1 20 acs: add 1218.26 5942.46651 5942.6665 6.0 1 1 7 acs: add 1305.50 5999.03286 5998.999 6.0 1 1 7 weak 1328.48 6013.90823 6013.678 6.0 1 1 6 1356.68 6032.13278 6032.127 6.0 1 1 170 1373.98 6043.30814 6043.223 6.0 1 1 67 1398.97 6059.43293 6059.373 6.0 1 1 33 1470.67 6105.60932 6105.635 6.0 1 1 19 1532.94 6145.60437 6145.441 6.0 1 1 18 1769.82 6296.81472 6296.872 6.0 1 1 13 1884.50 6369.46973 6369.575 6.0 1 1 9 1908.58 6384.6771 6384.717 6.0 1 1 33 1958.73 6416.30193 6416.307 6.0 1 1 164 2260.14 6604.80577 6604.853 6.0 1 1 24 2377.15 6677.24445 6677.282 6.0 1 1 434 2500.13 6752.90019 6752.834 6.0 1 1 331 2694.34 6871.32439 6871.289 6.0 1 1 316 2850.34 6965.45685 6965.431 6.0 1 1 56184 2958.68 7030.26217 7030.251 6.0 1 1 319 3020.75 7067.17437 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 39.59101867675782 3020.7490234375 6129.270836915987 953.5506155262405 -14.54815728139114 -1.037524377604285 0.01074228298670672 -0.07213937133047929 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,411] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,411] units Angstroms features 32 39.75 5162.25721 5162.285 6.0 1 1 23 77.60 5187.65501 5187.746 6.0 1 1 31 127.88 5221.37274 5221.271 6.0 1 1 17 355.39 5373.5577 5373.494 6.0 1 1 5 427.15 5421.40711 5421.352 6.0 1 1 8 539.00 5495.81578 5495.874 6.0 1 1 43 634.02 5558.85227 5558.702 6.0 1 1 55 706.28 5606.67642 5606.733 6.0 1 1 53 831.76 5689.46898 5689.6401 6.0 1 1 8 acs: add; not Ar 907.67 5739.39073 5739.52 6.0 1 1 16 1003.22 5802.05068 5802.08 6.0 1 1 8 acs: increase 1171.87 5912.13241 5912.085 6.0 1 1 47 1197.31 5928.67995 5928.8101 6.0 1 1 20 acs: add 1218.71 5942.58949 5942.6665 6.0 1 1 7 acs: add 1305.88 5999.12006 5998.999 6.0 1 1 7 weak 1328.83 6013.97165 6013.678 6.0 1 1 6 1356.87 6032.09929 6032.127 6.0 1 1 170 1374.25 6043.32526 6043.223 6.0 1 1 67 1399.21 6059.43437 6059.373 6.0 1 1 33 1470.80 6105.54602 6105.635 6.0 1 1 19 1533.04 6145.52915 6145.441 6.0 1 1 18 1769.90 6296.74436 6296.872 6.0 1 1 13 1884.57 6369.39653 6369.575 6.0 1 1 9 1908.97 6384.8067 6384.717 6.0 1 1 33 1958.89 6416.28147 6416.307 6.0 1 1 164 2260.44 6604.86127 6604.853 6.0 1 1 24 2377.41 6677.25809 6677.282 6.0 1 1 434 2500.38 6752.89048 6752.834 6.0 1 1 331 2694.60 6871.29949 6871.289 6.0 1 1 316 2850.62 6965.43647 6965.431 6.0 1 1 56184 2958.98 7030.27424 7030.251 6.0 1 1 319 3021.03 7067.18232 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 39.74896240234375 3021.02734375 6129.250242258588 953.5749836969662 -14.55402050149004 -1.057689301537903 0.02354132609948257 -0.05474104138197924 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,406] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,406] units Angstroms features 32 39.95 5162.26704 5162.285 6.0 1 1 23 77.78 5187.64974 5187.746 6.0 1 1 31 128.11 5221.39782 5221.271 6.0 1 1 17 355.56 5373.52687 5373.494 6.0 1 1 5 427.25 5421.32278 5421.352 6.0 1 1 8 539.32 5495.86878 5495.874 6.0 1 1 43 634.19 5558.80234 5558.702 6.0 1 1 55 706.61 5606.72398 5606.733 6.0 1 1 53 832.13 5689.54146 5689.6401 6.0 1 1 8 acs: add; not Ar 907.88 5739.35548 5739.52 6.0 1 1 16 1003.59 5802.12342 5802.08 6.0 1 1 8 acs: increase 1172.08 5912.10026 5912.085 6.0 1 1 47 1197.65 5928.73132 5928.8101 6.0 1 1 20 acs: add 1219.10 5942.66603 5942.6665 6.0 1 1 7 acs: add 1306.25 5999.18605 5998.999 6.0 1 1 7 weak 1328.87 6013.82901 6013.678 6.0 1 1 6 1357.11 6032.08686 6032.127 6.0 1 1 170 1374.50 6043.31836 6043.223 6.0 1 1 67 1399.28 6059.3124 6059.373 6.0 1 1 33 1471.02 6105.51927 6105.635 6.0 1 1 19 1533.22 6145.47977 6145.441 6.0 1 1 18 1770.21 6296.77618 6296.872 6.0 1 1 13 1885.20 6369.63235 6369.575 6.0 1 1 9 1909.08 6384.71114 6384.717 6.0 1 1 33 1959.11 6416.26213 6416.307 6.0 1 1 164 2260.70 6604.85578 6604.853 6.0 1 1 24 2377.70 6677.26401 6677.282 6.0 1 1 434 2500.61 6752.85521 6752.834 6.0 1 1 331 2694.90 6871.30397 6871.289 6.0 1 1 316 2850.87 6965.42077 6965.431 6.0 1 1 56184 2959.28 7030.28885 7030.251 6.0 1 1 319 3021.28 7067.18426 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 39.95217132568359 3021.284423828125 6129.237931047102 953.5693601436807 -14.54240057851624 -1.062152343492163 0.03011809443307911 -0.04859978442371459 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,401] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,401] units Angstroms features 32 40.16 5162.29653 5162.285 6.0 1 1 23 77.98 5187.66039 5187.746 6.0 1 1 31 128.30 5221.38993 5221.271 6.0 1 1 17 355.53 5373.35562 5373.494 6.0 1 1 5 427.54 5421.37409 5421.352 6.0 1 1 8 539.57 5495.9043 5495.874 6.0 1 1 43 634.37 5558.799 5558.702 6.0 1 1 55 706.84 5606.76194 5606.733 6.0 1 1 53 832.43 5689.63532 5689.6401 6.0 1 1 8 acs: add; not Ar 908.12 5739.41965 5739.52 6.0 1 1 16 1003.73 5802.11733 5802.08 6.0 1 1 8 acs: increase 1172.37 5912.19909 5912.085 6.0 1 1 47 1197.90 5928.7996 5928.8101 6.0 1 1 20 acs: add 1218.94 5942.47258 5942.6665 6.0 1 1 7 acs: add 1306.26 5999.09848 5998.999 6.0 1 1 7 weak 1328.46 6013.46218 6013.678 6.0 1 1 6 1357.35 6032.13874 6032.127 6.0 1 1 170 1374.74 6043.37217 6043.223 6.0 1 1 67 1399.50 6059.35118 6059.373 6.0 1 1 33 1471.33 6105.61487 6105.635 6.0 1 1 19 1533.39 6145.47168 6145.441 6.0 1 1 18 1770.66 6296.9298 6296.872 6.0 1 1 13 1885.36 6369.586 6369.575 6.0 1 1 9 1909.39 6384.75906 6384.717 6.0 1 1 33 1959.47 6416.33266 6416.307 6.0 1 1 164 2260.73 6604.70954 6604.853 6.0 1 1 24 2377.94 6677.25273 6677.282 6.0 1 1 434 2500.87 6752.86589 6752.834 6.0 1 1 331 2695.19 6871.3427 6871.289 6.0 1 1 316 2851.12 6965.43294 6965.431 6.0 1 1 56184 2959.50 7030.27644 7030.251 6.0 1 1 319 3021.54 7067.18128 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 40.16231155395508 3021.537353515625 6129.252413043756 953.5608364859875 -14.55318232606013 -1.051314627578837 0.03967513718170492 -0.06714860263727018 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,396] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,396] units Angstroms features 32 40.39 5162.26686 5162.285 6.0 1 1 23 78.28 5187.67021 5187.746 6.0 1 1 31 128.50 5221.32185 5221.271 6.0 1 1 17 356.34 5373.69314 5373.494 6.0 1 1 5 427.74 5421.30536 5421.352 6.0 1 1 8 539.70 5495.80087 5495.874 6.0 1 1 43 634.62 5558.7862 5558.702 6.0 1 1 55 706.93 5606.65479 5606.733 6.0 1 1 53 832.65 5689.61854 5689.6401 6.0 1 1 8 acs: add; not Ar 908.29 5739.37738 5739.52 6.0 1 1 16 1003.87 5802.06152 5802.08 6.0 1 1 8 acs: increase 1172.70 5912.26386 5912.085 6.0 1 1 47 1198.13 5928.80531 5928.8101 6.0 1 1 20 acs: add 1219.16 5942.46777 5942.6665 6.0 1 1 7 acs: add 1306.70 5999.23814 5998.999 6.0 1 1 7 weak 1328.59 6013.40401 6013.678 6.0 1 1 6 1357.60 6032.15491 6032.127 6.0 1 1 170 1374.94 6043.3545 6043.223 6.0 1 1 67 1399.86 6059.43567 6059.373 6.0 1 1 33 1471.57 6105.62005 6105.635 6.0 1 1 19 1533.66 6145.50113 6145.441 6.0 1 1 18 1770.82 6296.87637 6296.872 6.0 1 1 13 1885.61 6369.59402 6369.575 6.0 1 1 9 1909.57 6384.72346 6384.717 6.0 1 1 33 1959.64 6416.29006 6416.307 6.0 1 1 164 2260.92 6604.69289 6604.853 6.0 1 1 24 2378.10 6677.22462 6677.282 6.0 1 1 434 2501.15 6752.91193 6752.834 6.0 1 1 331 2695.40 6871.35391 6871.289 6.0 1 1 316 2851.40 6965.46486 6965.431 6.0 1 1 56184 2959.77 7030.27923 7030.251 6.0 1 1 319 3021.79 7067.15029 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 40.39316940307617 3021.78759765625 6129.244938744624 953.5861696210716 -14.57130760290755 -1.060136365961149 0.03494238894766183 -0.0843156579852897 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,391] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,391] units Angstroms features 32 40.63 5162.27489 5162.285 6.0 1 1 23 78.45 5187.64951 5187.746 6.0 1 1 31 128.67 5221.32494 5221.271 6.0 1 1 17 356.52 5373.72592 5373.494 6.0 1 1 5 427.88 5421.30694 5421.352 6.0 1 1 8 539.88 5495.80606 5495.874 6.0 1 1 43 634.79 5558.7639 5558.702 6.0 1 1 55 707.17 5606.6584 5606.733 6.0 1 1 53 832.86 5689.58218 5689.6401 6.0 1 1 8 acs: add; not Ar 908.52 5739.33628 5739.52 6.0 1 1 16 1004.23 5802.09701 5802.08 6.0 1 1 8 acs: increase 1172.86 5912.15691 5912.085 6.0 1 1 47 1198.31 5928.71347 5928.8101 6.0 1 1 20 acs: add 1219.56 5942.51596 5942.6665 6.0 1 1 7 acs: add 1307.16 5999.32431 5998.999 6.0 1 1 7 weak 1329.80 6013.97654 6013.678 6.0 1 1 6 1357.83 6032.09992 6032.127 6.0 1 1 170 1375.13 6043.27402 6043.223 6.0 1 1 67 1399.96 6059.29766 6059.373 6.0 1 1 33 1471.58 6105.42701 6105.635 6.0 1 1 19 1533.95 6145.49393 6145.441 6.0 1 1 18 1770.93 6296.78507 6296.872 6.0 1 1 13 1885.96 6369.66728 6369.575 6.0 1 1 9 1909.79 6384.719 6384.717 6.0 1 1 33 1959.86 6416.28826 6416.307 6.0 1 1 164 2261.17 6604.71431 6604.853 6.0 1 1 24 2378.34 6677.23722 6677.282 6.0 1 1 434 2501.40 6752.92382 6752.834 6.0 1 1 331 2695.63 6871.32779 6871.289 6.0 1 1 316 2851.67 6965.4668 6965.431 6.0 1 1 56184 2959.97 7030.25217 7030.251 6.0 1 1 319 3022.05 7067.17623 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 40.63467407226563 3022.046142578125 6129.25698713743 953.5705707829299 -14.54769137323694 -1.067258449222179 0.01626630798694536 -0.05264138533929014 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,386] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,386] units Angstroms features 32 40.69 5162.23383 5162.285 6.0 1 1 23 78.65 5187.69919 5187.746 6.0 1 1 31 128.87 5221.35855 5221.271 6.0 1 1 17 356.52 5373.59881 5373.494 6.0 1 1 5 428.18 5421.37074 5421.352 6.0 1 1 8 540.08 5495.80231 5495.874 6.0 1 1 43 634.93 5558.72148 5558.702 6.0 1 1 55 707.40 5606.67718 5606.733 6.0 1 1 53 833.16 5689.6537 5689.6401 6.0 1 1 8 acs: add; not Ar 908.81 5739.40688 5739.52 6.0 1 1 16 1004.26 5802.0044 5802.08 6.0 1 1 8 acs: increase 1173.01 5912.15436 5912.085 6.0 1 1 47 1198.56 5928.77271 5928.8101 6.0 1 1 20 acs: add 1219.98 5942.6915 5942.6665 6.0 1 1 7 acs: add 1307.30 5999.32102 5998.999 6.0 1 0 7 weak 1329.80 6013.87823 6013.678 6.0 1 1 6 1358.04 6032.13999 6032.127 6.0 1 1 170 1375.39 6043.34136 6043.223 6.0 1 1 67 1400.16 6059.33074 6059.373 6.0 1 1 33 1471.77 6105.45349 6105.635 6.0 1 1 19 1534.13 6145.51407 6145.441 6.0 1 1 18 1771.30 6296.90957 6296.872 6.0 1 1 13 1885.96 6369.54747 6369.575 6.0 1 1 9 1909.77 6384.58654 6384.717 6.0 1 1 33 1960.13 6416.33496 6416.307 6.0 1 1 164 2261.63 6604.8477 6604.853 6.0 1 1 24 2378.65 6677.26007 6677.282 6.0 1 1 434 2501.62 6752.88085 6752.834 6.0 1 1 331 2695.89 6871.30217 6871.289 6.0 1 1 316 2851.91 6965.44414 6965.431 6.0 1 1 56184 2960.19 7030.23813 7030.251 6.0 1 1 319 3022.33 7067.20958 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 40.68678665161133 3022.329345703125 6129.231488918547 953.607038333893 -14.55504288193586 -1.066755862299048 0.04525891358701059 -0.05240312344892625 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,381] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,381] units Angstroms features 32 40.87 5162.20216 5162.285 6.0 1 1 23 78.99 5187.77131 5187.746 6.0 1 1 31 129.04 5221.32066 5221.271 6.0 1 1 17 356.70 5373.55691 5373.494 6.0 1 1 5 428.48 5421.41226 5421.352 6.0 1 1 8 540.29 5495.78918 5495.874 6.0 1 1 43 635.23 5558.76869 5558.702 6.0 1 1 55 707.57 5606.64172 5606.733 6.0 1 1 53 833.34 5689.62874 5689.6401 6.0 1 1 8 acs: add; not Ar 909.07 5739.43472 5739.52 6.0 1 1 16 1004.54 5802.04433 5802.08 6.0 1 1 8 acs: increase 1173.20 5912.13317 5912.085 6.0 1 1 47 1198.78 5928.7679 5928.8101 6.0 1 1 20 acs: add 1220.02 5942.57687 5942.6665 6.0 1 1 7 acs: add 1307.60 5999.36745 5998.999 6.0 1 0 7 weak 1329.96 6013.83902 6013.678 6.0 1 1 6 1358.29 6032.15368 6032.127 6.0 1 1 170 1375.63 6043.35387 6043.223 6.0 1 1 67 1400.53 6059.42277 6059.373 6.0 1 1 33 1472.19 6105.57675 6105.635 6.0 1 1 19 1534.31 6145.48287 6145.441 6.0 1 1 18 1771.40 6296.82039 6296.872 6.0 1 1 13 1886.34 6369.62922 6369.575 6.0 1 1 9 1909.89 6384.50119 6384.717 6.0 1 1 33 1960.30 6416.28129 6416.307 6.0 1 1 164 2262.13 6604.98287 6604.853 6.0 1 1 24 2378.90 6677.2389 6677.282 6.0 1 1 434 2501.86 6752.84668 6752.834 6.0 1 1 331 2696.17 6871.2968 6871.289 6.0 1 1 316 2852.16 6965.41615 6965.431 6.0 1 1 56184 2960.55 7030.27553 7030.251 6.0 1 1 319 3022.60 7067.1981 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 40.86678314208984 3022.604248046875 6129.214679562151 953.6145178177767 -14.56499753743125 -1.062918746476349 0.05044969352290967 -0.05362696680111074 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,376] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,376] units Angstroms features 32 41.06 5162.20053 5162.285 6.0 1 1 23 79.13 5187.74456 5187.746 6.0 1 1 31 129.32 5221.39879 5221.271 6.0 1 1 17 356.56 5373.38175 5373.494 6.0 1 1 5 428.66 5421.44237 5421.352 6.0 1 1 8 540.54 5495.85239 5495.874 6.0 1 1 43 635.50 5558.83755 5558.702 6.0 1 1 55 707.81 5606.6841 5606.733 6.0 1 1 53 833.43 5689.55696 5689.6401 6.0 1 1 8 acs: add; not Ar 909.29 5739.44035 5739.52 6.0 1 1 16 1004.84 5802.09685 5802.08 6.0 1 1 8 acs: increase 1173.49 5912.17515 5912.085 6.0 1 1 47 1198.88 5928.68576 5928.8101 6.0 1 1 20 acs: add 1220.08 5942.46426 5942.6665 6.0 1 1 7 acs: add 1307.37 5999.07331 5998.999 6.0 1 1 7 weak 1330.12 6013.79467 6013.678 6.0 1 1 6 1358.56 6032.17797 6032.127 6.0 1 1 170 1375.83 6043.33448 6043.223 6.0 1 1 67 1400.76 6059.42514 6059.373 6.0 1 1 33 1472.43 6105.58951 6105.635 6.0 1 1 19 1534.55 6145.49503 6145.441 6.0 1 1 18 1771.59 6296.8063 6296.872 6.0 1 1 13 1886.47 6369.57782 6369.575 6.0 1 1 9 1910.42 6384.70324 6384.717 6.0 1 1 33 1960.44 6416.23554 6416.307 6.0 1 1 164 2262.15 6604.85564 6604.853 6.0 1 1 24 2379.18 6677.25792 6677.282 6.0 1 1 434 2502.19 6752.88496 6752.834 6.0 1 1 331 2696.51 6871.31711 6871.289 6.0 1 1 316 2852.43 6965.39034 6965.431 6.0 1 1 56184 2960.88 7030.29302 7030.251 6.0 1 1 319 3022.87 7067.19035 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 41.06425857543945 3022.873291015625 6129.22229452836 953.5908074162235 -14.57059021345795 -1.062365996326046 0.04373366125832676 -0.03353406249695828 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,371] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,371] units Angstroms features 32 41.24 5162.20446 5162.285 6.0 1 1 23 79.33 5187.72584 5187.746 6.0 1 1 31 129.55 5221.36463 5221.271 6.0 1 1 17 357.24 5373.58821 5373.494 6.0 1 1 5 428.93 5421.38596 5421.352 6.0 1 1 8 540.75 5495.77509 5495.874 6.0 1 1 43 635.69 5558.77008 5558.702 6.0 1 1 55 708.07 5606.67806 5606.733 6.0 1 1 53 833.72 5689.59264 5689.6401 6.0 1 1 8 acs: add; not Ar 909.51 5739.44548 5739.52 6.0 1 1 16 1004.96 5802.03955 5802.08 6.0 1 1 8 acs: increase 1173.77 5912.21397 5912.085 6.0 1 1 47 1199.14 5928.711 5928.8101 6.0 1 1 20 acs: add 1220.43 5942.54191 5942.6665 6.0 1 1 7 acs: add 1307.51 5998.99911 5998.999 6.0 1 1 7 weak 1330.53 6013.89497 6013.678 6.0 1 1 6 1358.79 6032.15432 6032.127 6.0 1 1 170 1376.12 6043.34629 6043.223 6.0 1 1 67 1400.94 6059.36165 6059.373 6.0 1 1 33 1472.62 6105.51337 6105.635 6.0 1 1 19 1534.87 6145.48675 6145.441 6.0 1 1 18 1772.07 6296.85788 6296.872 6.0 1 1 13 1887.01 6369.65928 6369.575 6.0 1 1 9 1910.89 6384.73333 6384.717 6.0 1 1 33 1960.79 6416.19324 6416.307 6.0 1 1 164 2262.38 6604.77457 6604.853 6.0 1 1 24 2379.45 6677.23499 6677.282 6.0 1 1 434 2502.42 6752.87997 6752.834 6.0 1 1 331 2696.70 6871.33835 6871.289 6.0 1 1 316 2852.71 6965.46191 6965.431 6.0 1 1 56184 2961.09 7030.27669 7030.251 6.0 1 1 319 3023.15 7067.16014 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 41.24316787719726 3023.146240234375 6129.187564989416 953.6323863880401 -14.54563266792426 -1.055422591779928 0.04036713285163381 -0.09911990015533467 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,366] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,366] units Angstroms features 32 41.51 5162.24179 5162.285 6.0 1 1 23 79.50 5187.69468 5187.746 6.0 1 1 31 129.69 5221.31405 5221.271 6.0 1 1 17 357.59 5373.67288 5373.494 6.0 1 1 5 429.20 5421.41015 5421.352 6.0 1 1 8 540.99 5495.7797 5495.874 6.0 1 1 43 635.89 5558.73848 5558.702 6.0 1 1 55 708.27 5606.64631 5606.733 6.0 1 1 53 833.95 5689.57591 5689.6401 6.0 1 1 8 acs: add; not Ar 909.70 5739.39206 5739.52 6.0 1 1 16 1005.20 5802.01212 5802.08 6.0 1 1 8 acs: increase 1173.98 5912.15549 5912.085 6.0 1 1 47 1199.50 5928.74752 5928.8101 6.0 1 1 20 acs: add 1220.85 5942.61701 5942.6665 6.0 1 1 7 acs: add 1308.12 5999.19538 5998.999 6.0 1 1 7 weak 1330.81 6013.87163 6013.678 6.0 1 1 6 1359.01 6032.09478 6032.127 6.0 1 1 170 1376.38 6043.31134 6043.223 6.0 1 1 67 1401.18 6059.31516 6059.373 6.0 1 1 33 1473.04 6105.57821 6105.635 6.0 1 1 19 1535.26 6145.53529 6145.441 6.0 1 1 18 1772.12 6296.68517 6296.872 6.0 1 1 13 1887.32 6369.65193 6369.575 6.0 1 1 9 1911.21 6384.73299 6384.717 6.0 1 1 33 1961.18 6416.23781 6416.307 6.0 1 1 164 2262.73 6604.8114 6604.853 6.0 1 1 24 2379.74 6677.24372 6677.282 6.0 1 1 434 2502.68 6752.87814 6752.834 6.0 1 1 331 2696.90 6871.31166 6871.289 6.0 1 1 316 2852.98 6965.47326 6965.431 6.0 1 1 56184 2961.37 7030.285 7030.251 6.0 1 1 319 3023.42 7067.15265 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 41.50845336914062 3023.41552734375 6129.190080989962 953.6166509414334 -14.5207744042981 -1.056785662357479 0.02791664854823374 -0.1044351855536037 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,361] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,361] units Angstroms features 32 41.68 5162.24648 5162.285 6.0 1 1 23 79.69 5187.72273 5187.746 6.0 1 1 31 129.85 5221.33518 5221.271 6.0 1 1 17 357.42 5373.48701 5373.494 6.0 1 1 5 429.30 5421.40502 5421.352 6.0 1 1 8 541.22 5495.85631 5495.874 6.0 1 1 43 636.06 5558.77144 5558.702 6.0 1 1 55 708.47 5606.68929 5606.733 6.0 1 1 53 834.22 5689.6467 5689.6401 6.0 1 1 8 acs: add; not Ar 909.82 5739.36274 5739.52 6.0 1 1 16 1005.36 5802.00253 5802.08 6.0 1 1 8 acs: increase 1174.28 5912.2287 5912.085 6.0 1 1 47 1199.67 5928.74047 5928.8101 6.0 1 1 20 acs: add 1221.25 5942.75563 5942.6665 6.0 1 1 7 acs: add 1308.21 5999.13212 5998.999 6.0 1 1 7 weak 1330.42 6013.50147 6013.678 6.0 1 1 6 1359.30 6032.16151 6032.127 6.0 1 1 170 1376.55 6043.30023 6043.223 6.0 1 1 67 1401.36 6059.30251 6059.373 6.0 1 1 33 1473.36 6105.66234 6105.635 6.0 1 1 19 1535.43 6145.51795 6145.441 6.0 1 1 18 1772.38 6296.72491 6296.872 6.0 1 1 13 1887.61 6369.70668 6369.575 6.0 1 1 9 1911.35 6384.69693 6384.717 6.0 1 1 33 1961.42 6416.258 6416.307 6.0 1 1 164 2263.04 6604.84769 6604.853 6.0 1 1 24 2379.96 6677.21149 6677.282 6.0 1 1 434 2502.99 6752.88953 6752.834 6.0 1 1 331 2697.18 6871.28833 6871.289 6.0 1 1 316 2853.25 6965.44775 6965.431 6.0 1 1 56184 2961.68 7030.29988 7030.251 6.0 1 1 319 3023.69 7067.16415 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 41.68377685546875 3023.69091796875 6129.203673665465 953.5885751032843 -14.52771483208817 -1.044090772730611 0.02935793601183849 -0.08564912810551927 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,356] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,356] units Angstroms features 32 41.87 5162.21727 5162.285 6.0 1 1 23 79.99 5187.7692 5187.746 6.0 1 1 31 130.08 5221.33537 5221.271 6.0 1 1 17 357.71 5373.52116 5373.494 6.0 1 1 5 429.43 5421.3267 5421.352 6.0 1 1 8 541.45 5495.83444 5495.874 6.0 1 1 43 636.31 5558.75731 5558.702 6.0 1 1 55 708.72 5606.67647 5606.733 6.0 1 1 53 834.60 5689.72669 5689.6401 6.0 1 1 8 acs: add; not Ar 910.06 5739.35142 5739.52 6.0 1 1 16 1005.75 5802.09676 5802.08 6.0 1 1 8 acs: increase 1174.47 5912.20814 5912.085 6.0 1 1 47 1199.86 5928.71913 5928.8101 6.0 1 1 20 acs: add 1221.49 5942.77338 5942.6665 6.0 1 1 7 acs: add 1308.27 5999.03968 5998.999 6.0 1 1 7 weak 1330.69 6013.54157 6013.678 6.0 1 1 6 1359.49 6032.15502 6032.127 6.0 1 1 170 1376.80 6043.33216 6043.223 6.0 1 1 67 1401.65 6059.36943 6059.373 6.0 1 1 33 1473.48 6105.62247 6105.635 6.0 1 1 19 1535.40 6145.388 6145.441 6.0 1 1 18 1772.52 6296.71583 6296.872 6.0 1 1 13 1887.79 6369.71757 6369.575 6.0 1 1 9 1911.57 6384.72816 6384.717 6.0 1 1 33 1961.63 6416.28346 6416.307 6.0 1 1 164 2263.37 6604.91206 6604.853 6.0 1 1 24 2380.17 6677.18722 6677.282 6.0 1 1 434 2503.24 6752.86467 6752.834 6.0 1 1 331 2697.51 6871.28862 6871.289 6.0 1 1 316 2853.53 6965.4208 6965.431 6.0 1 1 56184 2961.97 7030.30083 7030.251 6.0 1 1 319 3023.97 7067.18271 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 41.874267578125 3023.966552734375 6129.195804433655 953.6024590801733 -14.54866276513994 -1.052395640869322 0.05284451953628653 -0.06734352924369131 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,351] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,351] units Angstroms features 32 42.22 5162.24007 5162.285 6.0 1 1 23 80.21 5187.71419 5187.746 6.0 1 1 31 130.33 5221.30382 5221.271 6.0 1 1 17 358.32 5373.75589 5373.494 6.0 1 1 5 429.52 5421.22314 5421.352 6.0 1 1 8 541.69 5495.83396 5495.874 6.0 1 1 43 636.55 5558.76222 5558.702 6.0 1 1 55 708.92 5606.65317 5606.733 6.0 1 1 53 834.71 5689.65066 5689.6401 6.0 1 1 8 acs: add; not Ar 910.30 5739.36243 5739.52 6.0 1 1 16 1005.80 5801.98629 5802.08 6.0 1 1 8 acs: increase 1174.66 5912.19282 5912.085 6.0 1 1 47 1200.14 5928.76413 5928.8101 6.0 1 1 20 acs: add 1221.36 5942.55063 5942.6665 6.0 1 1 7 acs: add 1308.69 5999.17719 5998.999 6.0 1 1 7 weak 1331.15 6013.708 6013.678 6.0 1 1 6 1359.66 6032.1386 6032.127 6.0 1 1 170 1377.06 6043.37479 6043.223 6.0 1 1 67 1402.00 6059.46859 6059.373 6.0 1 1 33 1473.59 6105.56928 6105.635 6.0 1 1 19 1535.79 6145.51292 6145.441 6.0 1 1 18 1772.64 6296.67383 6296.872 6.0 1 1 13 1887.79 6369.59909 6369.575 6.0 1 1 9 1911.52 6384.58192 6384.717 6.0 1 1 33 1961.91 6416.34283 6416.307 6.0 1 1 164 2263.57 6604.90875 6604.853 6.0 1 1 24 2380.50 6677.25166 6677.282 6.0 1 1 434 2503.50 6752.88111 6752.834 6.0 1 1 331 2697.77 6871.2947 6871.289 6.0 1 1 316 2853.79 6965.42183 6965.431 6.0 1 1 56184 2962.17 7030.26478 7030.251 6.0 1 1 319 3024.25 7067.2004 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 42.22138214111328 3024.24609375 6129.243106686824 953.5894185519468 -14.57766637289626 -1.049752407242142 0.05479433188272817 -0.05950118786743424 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,346] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,346] units Angstroms features 32 42.49 5162.2815 5162.285 6.0 1 1 23 80.40 5187.69264 5187.746 6.0 1 1 31 130.53 5221.28837 5221.271 6.0 1 1 17 358.42 5373.66848 5373.494 6.0 1 1 5 429.85 5421.29656 5421.352 6.0 1 1 8 541.87 5495.81706 5495.874 6.0 1 1 43 636.74 5558.75218 5558.702 6.0 1 1 55 709.17 5606.69189 5606.733 6.0 1 1 53 834.88 5689.63991 5689.6401 6.0 1 1 8 acs: add; not Ar 910.72 5739.5125 5739.52 6.0 1 1 16 1005.79 5801.85493 5802.08 6.0 1 1 8 acs: increase 1174.91 5912.22849 5912.085 6.0 1 1 47 1200.43 5928.81839 5928.8101 6.0 1 1 20 acs: add 1221.54 5942.53927 5942.6665 6.0 1 1 7 acs: add 1308.76 5999.08643 5998.999 6.0 1 1 7 weak 1331.24 6013.62432 6013.678 6.0 1 1 6 1359.92 6032.15989 6032.127 6.0 1 1 170 1377.30 6043.38219 6043.223 6.0 1 1 67 1402.17 6059.42652 6059.373 6.0 1 1 33 1473.91 6105.62291 6105.635 6.0 1 1 19 1536.01 6145.49638 6145.441 6.0 1 1 18 1773.09 6296.78229 6296.872 6.0 1 1 13 1887.97 6369.53213 6369.575 6.0 1 1 9 1911.92 6384.64935 6384.717 6.0 1 1 33 1962.17 6416.32095 6416.307 6.0 1 1 164 2263.82 6604.88344 6604.853 6.0 1 1 24 2380.78 6677.25166 6677.282 6.0 1 1 434 2503.76 6752.87124 6752.834 6.0 1 1 331 2698.03 6871.2954 6871.289 6.0 1 1 316 2854.07 6965.43862 6965.431 6.0 1 1 56184 2962.43 7030.26082 7030.251 6.0 1 1 319 3024.53 7067.19699 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 42.49442291259766 3024.533447265624 6129.266319928523 953.570272218269 -14.57885734802596 -1.036390577641678 0.05178262381107807 -0.07613297720819693 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,341] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,341] units Angstroms features 32 42.66 5162.25597 5162.285 6.0 1 1 23 80.62 5187.71005 5187.746 6.0 1 1 31 130.72 5221.28675 5221.271 6.0 1 1 17 358.54 5373.62187 5373.494 6.0 1 1 5 430.22 5421.41006 5421.352 6.0 1 1 8 542.07 5495.80688 5495.874 6.0 1 1 43 637.01 5558.78323 5558.702 6.0 1 1 55 709.42 5606.69648 5606.733 6.0 1 1 53 834.88 5689.47075 5689.6401 6.0 1 1 8 acs: add; not Ar 910.96 5739.49293 5739.52 6.0 1 1 16 1006.22 5801.94915 5802.08 6.0 1 1 8 acs: increase 1175.07 5912.13098 5912.085 6.0 1 1 47 1200.63 5928.75181 5928.8101 6.0 1 1 20 acs: add 1222.01 5942.64137 5942.6665 6.0 1 1 7 acs: add 1309.08 5999.08444 5998.999 6.0 1 1 7 weak 1331.83 6013.80317 6013.678 6.0 1 1 6 1360.24 6032.16308 6032.127 6.0 1 1 170 1377.47 6043.28984 6043.223 6.0 1 1 67 1402.47 6059.41928 6059.373 6.0 1 1 33 1474.19 6105.59959 6105.635 6.0 1 1 19 1536.38 6145.53479 6145.441 6.0 1 1 18 1773.34 6296.74939 6296.872 6.0 1 1 13 1888.38 6369.60934 6369.575 6.0 1 1 9 1912.24 6384.67467 6384.717 6.0 1 1 33 1962.37 6416.2689 6416.307 6.0 1 1 164 2263.93 6604.80452 6604.853 6.0 1 1 24 2381.00 6677.25188 6677.282 6.0 1 1 434 2503.98 6752.87768 6752.834 6.0 1 1 331 2698.30 6871.32581 6871.289 6.0 1 1 316 2854.36 6965.45541 6965.431 6.0 1 1 56184 2962.78 7030.28667 7030.251 6.0 1 1 319 3024.81 7067.15695 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 42.66286468505859 3024.812255859375 6129.248017028972 953.5825158185516 -14.56534324286625 -1.055214058945347 0.02378496804723295 -0.07681076297684029 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,336] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,336] units Angstroms features 32 42.87 5162.24478 5162.285 6.0 1 1 23 80.84 5187.70068 5187.746 6.0 1 1 31 131.02 5221.3234 5221.271 6.0 1 1 17 358.80 5373.62304 5373.494 6.0 1 1 5 430.41 5421.35438 5421.352 6.0 1 1 8 542.39 5495.83661 5495.874 6.0 1 1 43 637.27 5558.77499 5558.702 6.0 1 1 55 709.66 5606.67368 5606.733 6.0 1 1 53 835.32 5689.57489 5689.6401 6.0 1 1 8 acs: add; not Ar 911.21 5739.48192 5739.52 6.0 1 1 16 1006.42 5801.90436 5802.08 6.0 1 1 8 acs: increase 1175.31 5912.11417 5912.085 6.0 1 1 47 1200.97 5928.79959 5928.8101 6.0 1 1 20 acs: add 1222.34 5942.68697 5942.6665 6.0 1 1 7 acs: add 1309.40 5999.12749 5998.999 6.0 1 1 7 weak 1331.79 6013.61357 6013.678 6.0 1 1 6 1360.49 6032.16375 6032.127 6.0 1 1 170 1377.70 6043.27035 6043.223 6.0 1 1 67 1402.78 6059.45478 6059.373 6.0 1 1 33 1474.34 6105.53185 6105.635 6.0 1 1 19 1536.71 6145.58479 6145.441 6.0 1 1 18 1773.78 6296.87525 6296.872 6.0 1 1 13 1888.55 6369.56484 6369.575 6.0 1 1 9 1912.51 6384.69945 6384.717 6.0 1 1 33 1962.61 6416.27552 6416.307 6.0 1 1 164 2264.00 6604.70943 6604.853 6.0 1 1 24 2381.28 6677.27948 6677.282 6.0 1 1 434 2504.20 6752.87016 6752.834 6.0 1 1 331 2698.60 6871.35346 6871.289 6.0 1 1 316 2854.65 6965.46562 6965.431 6.0 1 1 56184 2963.07 7030.28089 7030.251 6.0 1 1 319 3025.10 7067.14955 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 42.87264251708985 3025.104736328125 6129.244060232938 953.6019652559091 -14.57135174203802 -1.073052348821376 0.02445982918083725 -0.07652844078275824 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,331] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,331] units Angstroms features 32 43.15 5162.25257 5162.285 6.0 1 1 23 81.09 5187.67793 5187.746 6.0 1 1 31 131.33 5221.33382 5221.271 6.0 1 1 17 359.19 5373.67057 5373.494 6.0 1 1 5 430.68 5421.32838 5421.352 6.0 1 1 8 542.69 5495.84386 5495.874 6.0 1 1 43 637.46 5558.71391 5558.702 6.0 1 1 55 709.86 5606.63188 5606.733 6.0 1 1 53 835.71 5689.67085 5689.6401 6.0 1 1 8 acs: add; not Ar 911.47 5739.49836 5739.52 6.0 1 1 16 1006.58 5801.86369 5802.08 6.0 1 1 8 acs: increase 1175.65 5912.1954 5912.085 6.0 1 1 47 1201.10 5928.74378 5928.8101 6.0 1 1 20 acs: add 1222.60 5942.70975 5942.6665 6.0 1 1 7 acs: add 1309.39 5998.97864 5998.999 6.0 1 1 7 weak 1331.62 6013.35389 6013.678 6.0 1 0 6 1360.75 6032.18129 6032.127 6.0 1 1 170 1378.03 6043.33685 6043.223 6.0 1 1 67 1403.05 6059.48237 6059.373 6.0 1 1 33 1474.61 6105.55069 6105.635 6.0 1 1 19 1536.74 6145.44634 6145.441 6.0 1 1 18 1774.18 6296.95216 6296.872 6.0 1 1 13 1888.72 6369.49063 6369.575 6.0 1 1 9 1912.90 6384.7517 6384.717 6.0 1 1 33 1962.89 6416.26136 6416.307 6.0 1 1 164 2264.39 6604.75161 6604.853 6.0 1 1 24 2381.56 6677.25994 6677.282 6.0 1 1 434 2504.48 6752.84927 6752.834 6.0 1 1 331 2698.90 6871.36009 6871.289 6.0 1 1 316 2854.94 6965.47429 6965.431 6.0 1 1 56184 2963.32 7030.2663 7030.251 6.0 1 1 319 3025.41 7067.15742 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 43.14865875244141 3025.40869140625 6129.248837045163 953.6078851328599 -14.58148645532648 -1.06101944146582 0.03764393749588129 -0.09444000332013298 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,326] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,326] units Angstroms features 32 43.35 5162.23548 5162.285 6.0 1 1 23 81.34 5187.70491 5187.746 6.0 1 1 31 131.52 5221.324 5221.271 6.0 1 1 17 359.36 5373.65534 5373.494 6.0 1 1 5 430.94 5421.3669 5421.352 6.0 1 1 8 542.90 5495.84227 5495.874 6.0 1 1 43 637.70 5558.72363 5558.702 6.0 1 1 55 710.09 5606.62837 5606.733 6.0 1 1 53 835.78 5689.55282 5689.6401 6.0 1 1 8 acs: add; not Ar 911.57 5739.39515 5739.52 6.0 1 1 16 1007.18 5802.08204 5802.08 6.0 1 1 8 acs: increase 1176.03 5912.26904 5912.085 6.0 1 1 47 1201.42 5928.78167 5928.8101 6.0 1 1 20 acs: add 1222.67 5942.58799 5942.6665 6.0 1 1 7 acs: add 1309.73 5999.03066 5998.999 6.0 1 1 7 weak 1332.79 6013.94677 6013.678 6.0 1 0 6 1360.96 6032.15183 6032.127 6.0 1 1 170 1378.29 6043.34459 6043.223 6.0 1 1 67 1403.22 6059.43014 6059.373 6.0 1 1 33 1475.00 6105.6464 6105.635 6.0 1 1 19 1536.90 6145.39434 6145.441 6.0 1 1 18 1774.28 6296.87592 6296.872 6.0 1 1 13 1888.99 6369.51988 6369.575 6.0 1 1 9 1913.01 6384.68625 6384.717 6.0 1 1 33 1963.15 6416.28546 6416.307 6.0 1 1 164 2264.75 6604.81705 6604.853 6.0 1 1 24 2381.85 6677.26938 6677.282 6.0 1 1 434 2504.81 6752.87608 6752.834 6.0 1 1 331 2699.13 6871.3084 6871.289 6.0 1 1 316 2855.22 6965.4526 6965.431 6.0 1 1 56184 2963.61 7030.27194 7030.251 6.0 1 1 319 3025.69 7067.17515 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 43.35044860839844 3025.6884765625 6129.244340889185 953.6065126808589 -14.58185543235411 -1.062648277381906 0.04282949694905699 -0.07403346634659127 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,321] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,321] units Angstroms features 32 43.47 5162.20112 5162.285 6.0 1 1 23 81.56 5187.75316 5187.746 6.0 1 1 31 131.65 5221.33291 5221.271 6.0 1 1 17 359.23 5373.50247 5373.494 6.0 1 1 5 431.25 5421.50245 5421.352 6.0 1 1 8 543.06 5495.84448 5495.874 6.0 1 1 43 637.91 5558.73963 5558.702 6.0 1 1 55 710.37 5606.67371 5606.733 6.0 1 1 53 835.93 5689.482 5689.6401 6.0 1 1 8 acs: add; not Ar 911.83 5739.38195 5739.52 6.0 1 1 16 1007.47 5802.07403 5802.08 6.0 1 1 8 acs: increase 1176.21 5912.18803 5912.085 6.0 1 1 47 1201.83 5928.8456 5928.8101 6.0 1 1 20 acs: add 1222.78 5942.45355 5942.6665 6.0 1 1 7 acs: add 1310.17 5999.11572 5998.999 6.0 1 1 7 weak 1333.14 6013.97613 6013.678 6.0 1 1 6 1361.21 6032.12034 6032.127 6.0 1 1 170 1378.56 6043.32259 6043.223 6.0 1 1 67 1403.30 6059.28873 6059.373 6.0 1 1 33 1475.15 6105.557 6105.635 6.0 1 1 19 1537.45 6145.57535 6145.441 6.0 1 1 18 1774.27 6296.72334 6296.872 6.0 1 1 13 1889.31 6369.58402 6369.575 6.0 1 1 9 1913.12 6384.61967 6384.717 6.0 1 1 33 1963.37 6416.29566 6416.307 6.0 1 1 164 2264.99 6604.83551 6604.853 6.0 1 1 24 2382.15 6677.30621 6677.282 6.0 1 1 434 2505.11 6752.89314 6752.834 6.0 1 1 331 2699.41 6871.28686 6871.289 6.0 1 1 316 2855.49 6965.42443 6965.431 6.0 1 1 56184 2963.90 7030.27013 7030.251 6.0 1 1 319 3025.97 7067.19378 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 43.47101211547851 3025.969482421875 6129.22836045241 953.6088501342978 -14.5619440635119 -1.076041302494436 0.03103276423948054 -0.03647513065527834 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,316] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,316] units Angstroms features 32 43.69 5162.23888 5162.285 6.0 1 1 23 81.74 5187.74317 5187.746 6.0 1 1 31 131.80 5221.2845 5221.271 6.0 1 1 17 359.56 5373.54538 5373.494 6.0 1 1 5 431.47 5421.47451 5421.352 6.0 1 1 8 543.24 5495.80455 5495.874 6.0 1 1 43 638.19 5558.77398 5558.702 6.0 1 1 55 710.61 5606.69066 5606.733 6.0 1 1 53 836.14 5689.4922 5689.6401 6.0 1 1 8 acs: add; not Ar 912.07 5739.41469 5739.52 6.0 1 1 16 1007.71 5802.10931 5802.08 6.0 1 1 8 acs: increase 1176.42 5912.18513 5912.085 6.0 1 1 47 1201.91 5928.75316 5928.8101 6.0 1 1 20 acs: add 1223.02 5942.46912 5942.6665 6.0 1 1 7 acs: add 1310.51 5999.17799 5998.999 6.0 1 1 7 weak 1333.02 6013.73627 6013.678 6.0 1 1 6 1361.53 6032.15952 6032.127 6.0 1 1 170 1378.91 6043.37986 6043.223 6.0 1 1 67 1403.62 6059.32451 6059.373 6.0 1 1 33 1475.33 6105.49062 6105.635 6.0 1 1 19 1537.77 6145.582 6145.441 6.0 1 1 18 1774.87 6296.86833 6296.872 6.0 1 1 13 1889.80 6369.65033 6369.575 6.0 1 1 9 1913.62 6384.68757 6384.717 6.0 1 1 33 1963.60 6416.18671 6416.307 6.0 1 1 164 2265.26 6604.76578 6604.853 6.0 1 1 24 2382.40 6677.24934 6677.282 6.0 1 1 434 2505.42 6752.89505 6752.834 6.0 1 1 331 2699.76 6871.34448 6871.289 6.0 1 1 316 2855.79 6965.4517 6965.431 6.0 1 1 56184 2964.17 7030.25755 7030.251 6.0 1 1 319 3026.29 7067.17685 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 43.69049453735352 3026.2861328125 6129.22432734315 953.6039072261572 -14.54412083920323 -1.058464479398261 0.02765812948831064 -0.07645757358438998 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,311] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,311] units Angstroms features 32 43.97 5162.26769 5162.285 6.0 1 1 23 81.91 5187.67321 5187.746 6.0 1 1 31 132.15 5221.29922 5221.271 6.0 1 1 17 360.19 5373.70478 5373.494 6.0 1 1 5 431.75 5421.40958 5421.352 6.0 1 1 8 543.50 5495.74552 5495.874 6.0 1 1 43 638.43 5558.72926 5558.702 6.0 1 1 55 710.78 5606.61659 5606.733 6.0 1 1 53 836.46 5689.54136 5689.6401 6.0 1 1 8 acs: add; not Ar 912.42 5739.49701 5739.52 6.0 1 1 16 1007.94 5802.13019 5802.08 6.0 1 1 8 acs: increase 1176.66 5912.22571 5912.085 6.0 1 1 47 1202.00 5928.69521 5928.8101 6.0 1 1 20 acs: add 1223.19 5942.46077 5942.6665 6.0 1 1 7 acs: add 1310.66 5999.15859 5998.999 6.0 1 1 7 weak 1333.00 6013.60409 6013.678 6.0 1 1 6 1361.73 6032.16929 6032.127 6.0 1 1 170 1379.15 6043.4151 6043.223 6.0 1 1 67 1404.12 6059.51665 6059.373 6.0 1 1 33 1475.55 6105.50119 6105.635 6.0 1 1 19 1537.75 6145.42414 6145.441 6.0 1 1 18 1775.13 6296.85725 6296.872 6.0 1 1 13 1890.08 6369.63464 6369.575 6.0 1 1 9 1914.02 6384.75001 6384.717 6.0 1 1 33 1964.01 6416.25109 6416.307 6.0 1 1 164 2265.47 6604.69415 6604.853 6.0 1 1 24 2382.70 6677.23821 6677.282 6.0 1 1 434 2505.75 6752.91376 6752.834 6.0 1 1 331 2700.02 6871.34079 6871.289 6.0 1 1 316 2856.10 6965.47365 6965.431 6.0 1 1 56184 2964.49 7030.26684 7030.251 6.0 1 1 319 3026.59 7067.15815 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 43.97324752807618 3026.593994140625 6129.227791172378 953.6158770099893 -14.56632209951961 -1.055041588214087 0.05144910750115886 -0.1156055437386702 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,306] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,306] units Angstroms features 32 44.22 5162.27332 5162.285 6.0 1 1 23 82.13 5187.67949 5187.746 6.0 1 1 31 132.37 5221.32991 5221.271 6.0 1 1 17 360.01 5373.49373 5373.494 6.0 1 1 5 432.04 5421.49932 5421.352 6.0 1 1 8 543.79 5495.82397 5495.874 6.0 1 1 43 638.66 5558.74617 5558.702 6.0 1 1 55 711.06 5606.65432 5606.733 6.0 1 1 53 836.74 5689.56552 5689.6401 6.0 1 1 8 acs: add; not Ar 912.57 5739.42286 5739.52 6.0 1 1 16 1008.15 5802.09275 5802.08 6.0 1 1 8 acs: increase 1176.90 5912.21145 5912.085 6.0 1 1 47 1202.38 5928.78257 5928.8101 6.0 1 1 20 acs: add 1223.41 5942.44617 5942.6665 6.0 1 1 7 acs: add 1310.75 5999.06431 5998.999 6.0 1 1 7 weak 1333.15 6013.55983 6013.678 6.0 1 1 6 1362.01 6032.20932 6032.127 6.0 1 1 170 1379.43 6043.45721 6043.223 6.0 1 1 67 1404.37 6059.54608 6059.373 6.0 1 1 33 1475.87 6105.58118 6105.635 6.0 1 1 19 1537.95 6145.4435 6145.441 6.0 1 1 18 1775.07 6296.74005 6296.872 6.0 1 1 13 1889.94 6369.47713 6369.575 6.0 1 1 9 1914.14 6384.75546 6384.717 6.0 1 1 33 1964.26 6416.33513 6416.307 6.0 1 1 164 2265.88 6604.84234 6604.853 6.0 1 1 24 2382.93 6677.24426 6677.282 6.0 1 1 434 2506.00 6752.89925 6752.834 6.0 1 1 331 2700.29 6871.2903 6871.289 6.0 1 1 316 2856.39 6965.43399 6965.431 6.0 1 1 56184 2964.82 7030.27712 7030.251 6.0 1 1 319 3026.89 7067.18573 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 44.22192001342774 3026.893798828125 6129.260814921001 953.5943733134212 -14.58960093567018 -1.069313387201133 0.05830749001615821 -0.06885557518152685 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,301] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,301] units Angstroms features 32 44.53 5162.29137 5162.285 6.0 1 1 23 82.44 5187.71964 5187.746 6.0 1 1 31 132.51 5221.27473 5221.271 6.0 1 1 17 360.10 5373.43961 5373.494 6.0 1 1 5 432.15 5421.46015 5421.352 6.0 1 1 8 544.07 5495.8819 5495.874 6.0 1 1 43 638.92 5558.78399 5558.702 6.0 1 1 55 711.39 5606.72563 5606.733 6.0 1 1 53 836.99 5689.5645 5689.6401 6.0 1 1 8 acs: add; not Ar 912.68 5739.32532 5739.52 6.0 1 1 16 1008.56 5802.17649 5802.08 6.0 1 1 8 acs: increase 1177.07 5912.12252 5912.085 6.0 1 1 47 1202.72 5928.79885 5928.8101 6.0 1 1 20 acs: add 1223.75 5942.46236 5942.6665 6.0 1 1 7 acs: add 1311.20 5999.14893 5998.999 6.0 1 1 7 weak 1333.44 6013.53714 6013.678 6.0 1 1 6 1362.25 6032.15687 6032.127 6.0 1 1 170 1379.62 6043.37213 6043.223 6.0 1 1 67 1404.49 6059.41765 6059.373 6.0 1 1 33 1476.38 6105.70195 6105.635 6.0 1 1 19 1538.38 6145.51319 6145.441 6.0 1 1 18 1775.41 6296.76825 6296.872 6.0 1 1 13 1890.16 6369.43912 6369.575 6.0 1 1 9 1914.51 6384.81324 6384.717 6.0 1 1 33 1964.50 6416.31363 6416.307 6.0 1 1 164 2266.08 6604.81599 6604.853 6.0 1 1 24 2383.18 6677.25612 6677.282 6.0 1 1 434 2506.22 6752.88804 6752.834 6.0 1 1 331 2700.55 6871.29313 6871.289 6.0 1 1 316 2856.68 6965.4422 6965.431 6.0 1 1 56184 2965.11 7030.27359 7030.251 6.0 1 1 319 3027.20 7067.18549 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 44.52843856811524 3027.203369140625 6129.29348639698 953.5734865742389 -14.58235703542578 -1.070881759713118 0.02729889602761559 -0.05554533367850993 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,296] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,296] units Angstroms features 32 44.72 5162.2527 5162.285 6.0 1 1 23 82.67 5187.71269 5187.746 6.0 1 1 31 132.80 5221.32699 5221.271 6.0 1 1 17 360.38 5373.49153 5373.494 6.0 1 1 5 432.37 5421.46368 5421.352 6.0 1 1 8 544.26 5495.84407 5495.874 6.0 1 1 43 639.15 5558.75272 5558.702 6.0 1 1 55 711.59 5606.66453 5606.733 6.0 1 1 53 837.29 5689.55135 5689.6401 6.0 1 1 8 acs: add; not Ar 913.06 5739.34906 5739.52 6.0 1 1 16 1008.95 5802.19701 5802.08 6.0 1 1 8 acs: increase 1177.39 5912.0977 5912.085 6.0 1 1 47 1203.01 5928.75034 5928.8101 6.0 1 1 20 acs: add 1224.32 5942.59751 5942.6665 6.0 1 1 7 acs: add 1311.69 5999.23711 5998.999 6.0 1 1 7 weak 1334.21 6013.80564 6013.678 6.0 1 1 6 1362.51 6032.09097 6032.127 6.0 1 1 170 1379.88 6043.30624 6043.223 6.0 1 1 67 1404.71 6059.33191 6059.373 6.0 1 1 33 1476.42 6105.50708 6105.635 6.0 1 1 19 1538.66 6145.47743 6145.441 6.0 1 1 18 1775.75 6296.79403 6296.872 6.0 1 1 13 1890.52 6369.48023 6369.575 6.0 1 1 9 1914.84 6384.83595 6384.717 6.0 1 1 33 1964.75 6416.29769 6416.307 6.0 1 1 164 2266.30 6604.78176 6604.853 6.0 1 1 24 2383.53 6677.28941 6677.282 6.0 1 1 434 2506.53 6752.89177 6752.834 6.0 1 1 331 2700.88 6871.29359 6871.289 6.0 1 1 316 2856.98 6965.42683 6965.431 6.0 1 1 56184 2965.40 7030.26474 7030.251 6.0 1 1 319 3027.50 7067.19939 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 44.72437286376954 3027.49755859375 6129.266416295071 953.5834925076803 -14.55851271234573 -1.080534803187577 0.01814361649890445 -0.02961282794579115 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,291] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,291] units Angstroms features 32 44.95 5162.22492 5162.285 6.0 1 1 23 82.96 5187.73374 5187.746 6.0 1 1 31 133.06 5221.33701 5221.271 6.0 1 1 17 360.59 5373.4801 5373.494 6.0 1 1 5 432.61 5421.47277 5421.352 6.0 1 1 8 544.51 5495.85778 5495.874 6.0 1 1 43 639.41 5558.77285 5558.702 6.0 1 1 55 711.80 5606.64376 5606.733 6.0 1 1 53 837.56 5689.55793 5689.6401 6.0 1 1 8 acs: add; not Ar 913.40 5739.40159 5739.52 6.0 1 1 16 1008.98 5802.0365 5802.08 6.0 1 1 8 acs: increase 1177.75 5912.13318 5912.085 6.0 1 1 47 1203.26 5928.71976 5928.8101 6.0 1 1 20 acs: add 1224.66 5942.61952 5942.6665 6.0 1 1 7 acs: add 1312.04 5999.25508 5998.999 6.0 1 1 7 weak 1334.66 6013.89081 6013.678 6.0 1 1 6 1362.81 6032.08008 6032.127 6.0 1 1 170 1380.15 6043.27396 6043.223 6.0 1 1 67 1404.95 6059.27376 6059.373 6.0 1 1 33 1476.77 6105.51724 6105.635 6.0 1 1 19 1539.22 6145.62072 6145.441 6.0 1 1 18 1776.05 6296.75886 6296.872 6.0 1 1 13 1890.85 6369.46392 6369.575 6.0 1 1 9 1915.13 6384.79269 6384.717 6.0 1 1 33 1965.00 6416.22366 6416.307 6.0 1 1 164 2266.89 6604.92041 6604.853 6.0 1 1 24 2383.83 6677.25736 6677.282 6.0 1 1 434 2506.79 6752.83573 6752.834 6.0 1 1 331 2701.26 6871.32323 6871.289 6.0 1 1 316 2857.29 6965.4191 6965.431 6.0 1 1 56184 2965.73 7030.27681 7030.251 6.0 1 1 319 3027.79 7067.18886 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 44.94925689697266 3027.794677734375 6129.241973282766 953.574128101749 -14.54304823594606 -1.063184962212629 0.007963357823465719 -0.02897283847360928 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,286] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,286] units Angstroms features 32 45.23 5162.27955 5162.285 6.0 1 1 23 83.21 5187.73594 5187.746 6.0 1 1 31 133.22 5221.24282 5221.271 6.0 1 1 17 361.13 5373.5846 5373.494 6.0 1 1 5 432.87 5421.4004 5421.352 6.0 1 1 8 544.77 5495.81297 5495.874 6.0 1 1 43 639.71 5558.7711 5558.702 6.0 1 1 55 712.13 5606.68279 5606.733 6.0 1 1 53 837.89 5689.63024 5689.6401 6.0 1 1 8 acs: add; not Ar 913.64 5739.42722 5739.52 6.0 1 1 16 1009.03 5801.95579 5802.08 6.0 1 1 8 acs: increase 1178.05 5912.21938 5912.085 6.0 1 1 47 1203.51 5928.76924 5928.8101 6.0 1 1 20 acs: add 1224.79 5942.59016 5942.6665 6.0 1 1 7 acs: add 1311.96 5999.08813 5998.999 6.0 1 1 7 weak 1334.73 6013.81587 6013.678 6.0 1 1 6 1363.01 6032.08779 6032.127 6.0 1 1 170 1380.48 6043.36245 6043.223 6.0 1 1 67 1405.09 6059.23623 6059.373 6.0 1 1 33 1477.14 6105.6146 6105.635 6.0 1 1 19 1539.28 6145.50402 6145.441 6.0 1 1 18 1776.49 6296.83899 6296.872 6.0 1 1 13 1891.24 6369.48999 6369.575 6.0 1 1 9 1915.62 6384.87804 6384.717 6.0 1 1 33 1965.30 6416.18656 6416.307 6.0 1 1 164 2267.14 6604.84627 6604.853 6.0 1 1 24 2384.14 6677.23362 6677.282 6.0 1 1 434 2507.13 6752.85265 6752.834 6.0 1 1 331 2701.52 6871.32865 6871.289 6.0 1 1 316 2857.60 6965.45745 6965.431 6.0 1 1 56184 2965.97 7030.25107 7030.251 6.0 1 1 319 3028.12 7067.18913 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 45.22689819335938 3028.122802734375 6129.252938727949 953.5839941469086 -14.5497742306028 -1.048925874303821 0.03117101989496771 -0.08027793495389501 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,281] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,281] units Angstroms features 32 45.50 5162.30202 5162.285 6.0 1 1 23 83.38 5187.67808 5187.746 6.0 1 1 31 133.56 5221.28047 5221.271 6.0 1 1 17 361.46 5373.60009 5373.494 6.0 1 1 5 433.16 5421.38581 5421.352 6.0 1 1 8 545.06 5495.80045 5495.874 6.0 1 1 43 640.00 5558.76747 5558.702 6.0 1 1 55 712.39 5606.66685 5606.733 6.0 1 1 53 838.30 5689.71828 5689.6401 6.0 1 1 8 acs: add; not Ar 913.89 5739.41795 5739.52 6.0 1 1 16 1009.22 5801.91509 5802.08 6.0 1 1 8 acs: increase 1178.24 5912.19054 5912.085 6.0 1 1 47 1203.74 5928.76623 5928.8101 6.0 1 1 20 acs: add 1224.86 5942.48479 5942.6665 6.0 1 1 7 acs: add 1312.24 5999.12473 5998.999 6.0 1 1 7 weak 1334.95 6013.80685 6013.678 6.0 1 1 6 1363.33 6032.14951 6032.127 6.0 1 1 170 1380.70 6043.35973 6043.223 6.0 1 1 67 1405.52 6059.36678 6059.373 6.0 1 1 33 1477.40 6105.64009 6105.635 6.0 1 1 19 1539.35 6145.40983 6145.441 6.0 1 1 18 1776.50 6296.6977 6296.872 6.0 1 1 13 1891.77 6369.67512 6369.575 6.0 1 1 9 1915.75 6384.81366 6384.717 6.0 1 1 33 1965.62 6416.23276 6416.307 6.0 1 1 164 2267.26 6604.75239 6604.853 6.0 1 1 24 2384.45 6677.25142 6677.282 6.0 1 1 434 2507.48 6752.88643 6752.834 6.0 1 1 331 2701.85 6871.33114 6871.289 6.0 1 1 316 2857.93 6965.45399 6965.431 6.0 1 1 56184 2966.31 7030.24564 7030.251 6.0 1 1 319 3028.48 7067.19184 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 45.50357818603515 3028.4833984375 6129.274356734266 953.593210219972 -14.57466342179275 -1.062113990468192 0.04723651679617895 -0.08618686277280417 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,276] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,276] units Angstroms features 32 45.69 5162.23065 5162.285 6.0 1 1 23 83.67 5187.67188 5187.746 6.0 1 1 31 133.99 5221.36551 5221.271 6.0 1 1 17 361.89 5373.68717 5373.494 6.0 1 1 5 433.40 5421.34607 5421.352 6.0 1 1 8 545.33 5495.78397 5495.874 6.0 1 1 43 640.27 5558.75936 5558.702 6.0 1 1 55 712.62 5606.63365 5606.733 6.0 1 1 53 838.47 5689.64918 5689.6401 6.0 1 1 8 acs: add; not Ar 914.10 5739.37765 5739.52 6.0 1 1 16 1009.60 5801.98386 5802.08 6.0 1 1 8 acs: increase 1178.54 5912.20573 5912.085 6.0 1 1 47 1203.97 5928.74186 5928.8101 6.0 1 1 20 acs: add 1225.17 5942.50805 5942.6665 6.0 1 1 7 acs: add 1312.63 5999.19586 5998.999 6.0 1 1 7 weak 1335.23 6013.80852 6013.678 6.0 1 1 6 1363.61 6032.14687 6032.127 6.0 1 1 170 1380.95 6043.34255 6043.223 6.0 1 1 67 1405.83 6059.38787 6059.373 6.0 1 1 33 1477.65 6105.61628 6105.635 6.0 1 1 19 1539.63 6145.40315 6145.441 6.0 1 1 18 1776.96 6296.80644 6296.872 6.0 1 1 13 1892.01 6369.64701 6369.575 6.0 1 1 9 1915.76 6384.64075 6384.717 6.0 1 1 33 1965.98 6416.28627 6416.307 6.0 1 1 164 2267.56 6604.77974 6604.853 6.0 1 1 24 2384.69 6677.24524 6677.282 6.0 1 1 434 2507.70 6752.87452 6752.834 6.0 1 1 331 2702.09 6871.33398 6871.289 6.0 1 1 316 2858.24 6965.47718 6965.431 6.0 1 1 56184 2966.65 7030.26904 7030.251 6.0 1 1 319 3028.76 7067.15785 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 45.69475936889648 3028.757568359375 6129.241528511494 953.6293951232565 -14.58464863007137 -1.07003301323604 0.03736835133257056 -0.0957628689496644 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,271] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,271] units Angstroms features 32 45.94 5162.22919 5162.285 6.0 1 1 23 83.88 5187.66547 5187.746 6.0 1 1 31 134.20 5221.3768 5221.271 6.0 1 1 17 362.04 5373.68011 5373.494 6.0 1 1 5 433.58 5421.35044 5421.352 6.0 1 1 8 545.53 5495.78831 5495.874 6.0 1 1 43 640.55 5558.79686 5558.702 6.0 1 1 55 712.81 5606.59702 5606.733 6.0 1 1 53 838.61 5689.55741 5689.6401 6.0 1 1 8 acs: add; not Ar 914.41 5739.386 5739.52 6.0 1 1 16 1010.11 5802.10544 5802.08 6.0 1 1 8 acs: increase 1178.81 5912.15824 5912.085 6.0 1 1 47 1204.31 5928.73595 5928.8101 6.0 1 1 20 acs: add 1225.57 5942.53927 5942.6665 6.0 1 1 7 acs: add 1312.97 5999.18256 5998.999 6.0 1 1 7 weak 1335.76 6013.92622 6013.678 6.0 1 1 6 1363.90 6032.105 6032.127 6.0 1 1 170 1381.19 6043.26666 6043.223 6.0 1 1 67 1406.17 6059.37862 6059.373 6.0 1 1 33 1477.93 6105.56585 6105.635 6.0 1 1 19 1540.02 6145.43093 6145.441 6.0 1 1 18 1777.49 6296.93565 6296.872 6.0 1 1 13 1892.16 6369.53815 6369.575 6.0 1 1 9 1916.01 6384.59719 6384.717 6.0 1 1 33 1966.32 6416.29731 6416.307 6.0 1 1 164 2267.93 6604.81837 6604.853 6.0 1 1 24 2385.02 6677.25938 6677.282 6.0 1 1 434 2508.02 6752.87498 6752.834 6.0 1 1 331 2702.39 6871.31809 6871.289 6.0 1 1 316 2858.54 6965.46756 6965.431 6.0 1 1 56184 2966.95 7030.26623 7030.251 6.0 1 1 319 3029.06 7067.16846 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 45.93753814697266 3029.055908203125 6129.236784237376 953.6092929742426 -14.55626466308828 -1.065249350113058 0.01830636220793968 -0.07440570287032546 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,266] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,266] units Angstroms features 32 46.23 5162.24331 5162.285 6.0 1 1 23 84.16 5187.69449 5187.746 6.0 1 1 31 134.39 5221.36559 5221.271 6.0 1 1 17 361.98 5373.53007 5373.494 6.0 1 1 5 433.80 5421.38689 5421.352 6.0 1 1 8 545.78 5495.83486 5495.874 6.0 1 1 43 640.72 5558.78036 5558.702 6.0 1 1 55 713.08 5606.63191 5606.733 6.0 1 1 53 838.94 5689.62214 5689.6401 6.0 1 1 8 acs: add; not Ar 914.77 5739.45632 5739.52 6.0 1 1 16 1010.32 5802.07814 5802.08 6.0 1 1 8 acs: increase 1179.01 5912.11432 5912.085 6.0 1 1 47 1204.63 5928.76716 5928.8101 6.0 1 1 20 acs: add 1225.83 5942.53789 5942.6665 6.0 1 1 7 acs: add 1313.15 5999.13442 5998.999 6.0 1 1 7 weak 1335.78 6013.76765 6013.678 6.0 1 1 6 1364.20 6032.13409 6032.127 6.0 1 1 170 1381.44 6043.25913 6043.223 6.0 1 1 67 1406.36 6059.33386 6059.373 6.0 1 1 33 1478.21 6105.58874 6105.635 6.0 1 1 19 1540.49 6145.57568 6145.441 6.0 1 1 18 1777.67 6296.90468 6296.872 6.0 1 1 13 1892.41 6369.56027 6369.575 6.0 1 1 9 1916.15 6384.54243 6384.717 6.0 1 1 33 1966.62 6416.34694 6416.307 6.0 1 1 164 2268.17 6604.80399 6604.853 6.0 1 1 24 2385.37 6677.28939 6677.282 6.0 1 1 434 2508.38 6752.88918 6752.834 6.0 1 1 331 2702.74 6871.29795 6871.289 6.0 1 1 316 2858.86 6965.43357 6965.431 6.0 1 1 56184 2967.29 7030.26449 7030.251 6.0 1 1 319 3029.40 7067.1938 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 46.22705078125 3029.398681640625 6129.271395118123 953.5770871340261 -14.57020330237954 -1.058395095150536 0.01736624210371911 -0.04344650041526844 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,261] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,261] units Angstroms features 32 46.45 5162.21753 5162.285 6.0 1 1 23 84.46 5187.70384 5187.746 6.0 1 1 31 134.64 5221.32827 5221.271 6.0 1 1 17 362.54 5373.66454 5373.494 6.0 1 1 5 434.26 5421.45693 5421.352 6.0 1 1 8 546.06 5495.7938 5495.874 6.0 1 1 43 640.93 5558.69614 5558.702 6.0 1 1 55 713.37 5606.6077 5606.733 6.0 1 1 53 839.21 5689.59615 5689.6401 6.0 1 1 8 acs: add; not Ar 915.02 5739.43099 5739.52 6.0 1 1 16 1010.39 5801.94652 5802.08 6.0 1 1 8 acs: increase 1179.30 5912.13893 5912.085 6.0 1 1 47 1204.83 5928.7392 5928.8101 6.0 1 1 20 acs: add 1226.14 5942.58321 5942.6665 6.0 1 1 7 acs: add 1313.51 5999.21003 5998.999 6.0 1 1 7 weak 1336.16 6013.86125 6013.678 6.0 1 1 6 1364.40 6032.11256 6032.127 6.0 1 1 170 1381.83 6043.36305 6043.223 6.0 1 1 67 1406.59 6059.33611 6059.373 6.0 1 1 33 1478.54 6105.65874 6105.635 6.0 1 1 19 1540.64 6145.52596 6145.441 6.0 1 1 18 1777.73 6296.79789 6296.872 6.0 1 1 13 1892.44 6369.42818 6369.575 6.0 1 1 9 1916.45 6384.58604 6384.717 6.0 1 1 33 1966.87 6416.35518 6416.307 6.0 1 1 164 2268.50 6604.84942 6604.853 6.0 1 1 24 2385.65 6677.30006 6677.282 6.0 1 1 434 2508.64 6752.8861 6752.834 6.0 1 1 331 2703.02 6871.29376 6871.289 6.0 1 1 316 2859.18 6965.43399 6965.431 6.0 1 1 56184 2967.70 7030.30282 7030.251 6.0 1 1 319 3029.72 7067.1588 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 46.44697570800782 3029.7158203125 6129.254623732679 953.6086607045834 -14.5990669209832 -1.083357167574399 0.03260650410546143 -0.05467140834566959 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,256] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,256] units Angstroms features 32 46.68 5162.23325 5162.285 6.0 1 1 23 84.65 5187.67538 5187.746 6.0 1 1 31 134.88 5221.31854 5221.271 6.0 1 1 17 362.94 5373.73805 5373.494 6.0 1 1 5 434.55 5421.45591 5421.352 6.0 1 1 8 546.31 5495.7623 5495.874 6.0 1 1 43 641.22 5558.70412 5558.702 6.0 1 1 55 713.60 5606.58414 5606.733 6.0 1 1 53 839.31 5689.49558 5689.6401 6.0 1 1 8 acs: add; not Ar 915.25 5739.41829 5739.52 6.0 1 1 16 1010.83 5802.07243 5802.08 6.0 1 1 8 acs: increase 1179.51 5912.11774 5912.085 6.0 1 1 47 1205.10 5928.75915 5928.8101 6.0 1 1 20 acs: add 1226.64 5942.74393 5942.6665 6.0 1 1 7 acs: add 1314.06 5999.40586 5998.999 6.0 1 0 7 weak 1336.30 6013.78914 6013.678 6.0 1 1 6 1364.76 6032.177 6032.127 6.0 1 1 170 1382.06 6043.34833 6043.223 6.0 1 1 67 1406.95 6059.39975 6059.373 6.0 1 1 33 1478.76 6105.62528 6105.635 6.0 1 1 19 1540.96 6145.55348 6145.441 6.0 1 1 18 1777.89 6296.70769 6296.872 6.0 1 1 13 1892.90 6369.51804 6369.575 6.0 1 1 9 1916.97 6384.71188 6384.717 6.0 1 1 33 1967.03 6416.25435 6416.307 6.0 1 1 164 2268.81 6604.84009 6604.853 6.0 1 1 24 2385.91 6677.26968 6677.282 6.0 1 1 434 2508.92 6752.87315 6752.834 6.0 1 1 331 2703.35 6871.32435 6871.289 6.0 1 1 316 2859.48 6965.43838 6965.431 6.0 1 1 56184 2968.04 7030.3142 7030.251 6.0 1 1 319 3030.03 7067.14108 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 46.67847442626953 3030.02685546875 6129.246527533905 953.6143022651553 -14.59822142599553 -1.084491393436382 0.03885777423398423 -0.07589380449915616 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,251] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,251] units Angstroms features 32 46.95 5162.27013 5162.285 6.0 1 1 23 84.86 5187.67427 5187.746 6.0 1 1 31 135.05 5221.29619 5221.271 6.0 1 1 17 363.05 5373.6695 5373.494 6.0 1 1 5 434.72 5421.42827 5421.352 6.0 1 1 8 546.60 5495.81158 5495.874 6.0 1 1 43 641.47 5558.72153 5558.702 6.0 1 1 55 713.84 5606.59521 5606.733 6.0 1 1 53 839.60 5689.53315 5689.6401 6.0 1 1 8 acs: add; not Ar 915.53 5739.44597 5739.52 6.0 1 1 16 1011.08 5802.07491 5802.08 6.0 1 1 8 acs: increase 1179.78 5912.13616 5912.085 6.0 1 1 47 1205.35 5928.75753 5928.8101 6.0 1 1 20 acs: add 1226.90 5942.7559 5942.6665 6.0 1 1 7 acs: add 1313.90 5999.13859 5998.999 6.0 1 1 7 weak 1336.10 6013.49716 6013.678 6.0 1 1 6 1365.02 6032.1829 6032.127 6.0 1 1 170 1382.25 6043.30874 6043.223 6.0 1 1 67 1407.24 6059.42325 6059.373 6.0 1 1 33 1479.01 6105.62611 6105.635 6.0 1 1 19 1541.18 6145.53583 6145.441 6.0 1 1 18 1778.31 6296.81083 6296.872 6.0 1 1 13 1893.10 6369.48852 6369.575 6.0 1 1 9 1917.32 6384.7727 6384.717 6.0 1 1 33 1967.26 6416.23882 6416.307 6.0 1 1 164 2269.00 6604.78972 6604.853 6.0 1 1 24 2386.23 6677.2892 6677.282 6.0 1 1 434 2509.23 6752.88068 6752.834 6.0 1 1 331 2703.67 6871.32294 6871.289 6.0 1 1 316 2859.78 6965.42774 6965.431 6.0 1 1 56184 2968.32 7030.29689 7030.251 6.0 1 1 319 3030.37 7067.16275 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 46.9481086730957 3030.36962890625 6129.27730955713 953.5989872646467 -14.60138627241839 -1.083936867783752 0.0405205356963127 -0.06874023288122674 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,246] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,246] units Angstroms features 32 47.25 5162.31362 5162.285 6.0 1 1 23 85.11 5187.68551 5187.746 6.0 1 1 31 135.19 5221.22591 5221.271 6.0 1 1 17 363.27 5373.65837 5373.494 6.0 1 1 5 434.92 5421.40421 5421.352 6.0 1 1 8 546.86 5495.83634 5495.874 6.0 1 1 43 641.73 5558.73939 5558.702 6.0 1 1 55 714.12 5606.62731 5606.733 6.0 1 1 53 839.92 5689.59072 5689.6401 6.0 1 1 8 acs: add; not Ar 915.76 5739.44004 5739.52 6.0 1 1 16 1011.27 5802.03552 5802.08 6.0 1 1 8 acs: increase 1180.13 5912.18076 5912.085 6.0 1 1 47 1205.65 5928.76711 5928.8101 6.0 1 1 20 acs: add 1227.06 5942.67007 5942.6665 6.0 1 1 7 acs: add 1313.85 5998.91322 5998.999 6.0 1 1 7 weak 1336.11 6013.3073 6013.678 6.0 1 0 6 1365.28 6032.1458 6032.127 6.0 1 1 170 1382.56 6043.30285 6043.223 6.0 1 1 67 1407.57 6059.42679 6059.373 6.0 1 1 33 1479.39 6105.65462 6105.635 6.0 1 1 19 1541.52 6145.53084 6145.441 6.0 1 1 18 1778.71 6296.82574 6296.872 6.0 1 1 13 1893.90 6369.74657 6369.575 6.0 1 1 9 1917.46 6384.61214 6384.717 6.0 1 1 33 1967.69 6416.26101 6416.307 6.0 1 1 164 2269.21 6604.68579 6604.853 6.0 1 1 24 2386.55 6677.26472 6677.282 6.0 1 1 434 2509.60 6752.89702 6752.834 6.0 1 1 331 2704.04 6871.3588 6871.289 6.0 1 1 316 2860.12 6965.44704 6965.431 6.0 1 1 56184 2968.61 7030.27953 7030.251 6.0 1 1 319 3030.70 7067.15833 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 47.25330352783203 3030.6982421875 6129.290573911296 953.5682322082014 -14.58241667061984 -1.064707513062422 0.02781647733837386 -0.08116747756829273 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,241] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,241] units Angstroms features 32 47.41 5162.2363 5162.285 6.0 1 1 23 85.46 5187.7557 5187.746 6.0 1 1 31 135.48 5221.27188 5221.271 6.0 1 1 17 363.40 5373.61783 5373.494 6.0 1 1 5 435.08 5421.37154 5421.352 6.0 1 1 8 547.08 5495.82345 5495.874 6.0 1 1 43 642.08 5558.79192 5558.702 6.0 1 1 55 714.41 5606.62691 5606.733 6.0 1 1 53 840.28 5689.61299 5689.6401 6.0 1 1 8 acs: add; not Ar 915.99 5739.36637 5739.52 6.0 1 1 16 1011.70 5802.08714 5802.08 6.0 1 1 8 acs: increase 1180.39 5912.12096 5912.085 6.0 1 1 47 1206.06 5928.80522 5928.8101 6.0 1 1 20 acs: add 1227.34 5942.62739 5942.6665 6.0 1 1 7 acs: add 1314.76 5999.2799 5998.999 6.0 1 0 7 weak 1337.14 6013.75453 6013.678 6.0 1 1 6 1365.64 6032.17063 6032.127 6.0 1 1 170 1382.90 6043.30982 6043.223 6.0 1 1 67 1407.83 6059.38946 6059.373 6.0 1 1 33 1479.53 6105.54511 6105.635 6.0 1 1 19 1541.87 6145.56568 6145.441 6.0 1 1 18 1778.94 6296.81307 6296.872 6.0 1 1 13 1893.98 6369.64607 6369.575 6.0 1 1 9 1917.66 6384.59194 6384.717 6.0 1 1 33 1968.01 6416.31996 6416.307 6.0 1 1 164 2269.60 6604.77589 6604.853 6.0 1 1 24 2386.81 6677.26206 6677.282 6.0 1 1 434 2509.89 6752.89222 6752.834 6.0 1 1 331 2704.33 6871.32295 6871.289 6.0 1 1 316 2860.45 6965.43586 6965.431 6.0 1 1 56184 2968.94 7030.28101 7030.251 6.0 1 1 319 3031.01 7067.17282 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 47.40658950805664 3031.0068359375 6129.258975152835 953.5953553813131 -14.57709744159275 -1.080243069201583 0.0226816310748442 -0.0468531191347893 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,236] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,236] units Angstroms features 32 47.53 5162.1876 5162.285 6.0 1 1 23 85.71 5187.79032 5187.746 6.0 1 1 31 135.76 5221.32132 5221.271 6.0 1 1 17 363.48 5373.50551 5373.494 6.0 1 1 5 435.44 5421.44114 5421.352 6.0 1 1 8 547.37 5495.82921 5495.874 6.0 1 1 43 642.34 5558.77608 5558.702 6.0 1 1 55 714.72 5606.64187 5606.733 6.0 1 1 53 840.63 5689.64942 5689.6401 6.0 1 1 8 acs: add; not Ar 916.30 5739.37703 5739.52 6.0 1 1 16 1011.92 5802.03213 5802.08 6.0 1 1 8 acs: increase 1180.71 5912.13523 5912.085 6.0 1 1 47 1206.21 5928.70832 5928.8101 6.0 1 1 20 acs: add 1227.63 5942.61987 5942.6665 6.0 1 1 7 acs: add 1315.37 5999.4811 5998.999 6.0 1 0 7 weak 1337.61 6013.86907 6013.678 6.0 1 1 6 1365.90 6032.14511 6032.127 6.0 1 1 170 1383.16 6043.28424 6043.223 6.0 1 1 67 1408.33 6059.52312 6059.373 6.0 1 1 33 1479.83 6105.54899 6105.635 6.0 1 1 19 1542.02 6145.47958 6145.441 6.0 1 1 18 1779.23 6296.81768 6296.872 6.0 1 1 13 1894.12 6369.5556 6369.575 6.0 1 1 9 1918.03 6384.64647 6384.717 6.0 1 1 33 1968.27 6416.30641 6416.307 6.0 1 1 164 2269.93 6604.79331 6604.853 6.0 1 1 24 2387.19 6677.3006 6677.282 6.0 1 1 434 2510.20 6752.88682 6752.834 6.0 1 1 331 2704.63 6871.30503 6871.289 6.0 1 1 316 2860.77 6965.4305 6965.431 6.0 1 1 56184 2969.23 7030.26507 7030.251 6.0 1 1 319 3031.34 7067.19206 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 47.52665328979492 3031.342529296875 6129.223209980099 953.6341949126343 -14.56438464684324 -1.091361295938753 0.03100321126717021 -0.04060086331825261 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,231] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,231] units Angstroms features 32 47.91 5162.24525 5162.285 6.0 1 1 23 85.92 5187.71752 5187.746 6.0 1 1 31 136.05 5221.29537 5221.271 6.0 1 1 17 363.91 5373.56652 5373.494 6.0 1 1 5 435.80 5421.46037 5421.352 6.0 1 1 8 547.66 5495.82491 5495.874 6.0 1 1 43 642.63 5558.78963 5558.702 6.0 1 1 55 714.99 5606.64996 5606.733 6.0 1 1 53 840.94 5689.69676 5689.6401 6.0 1 1 8 acs: add; not Ar 916.46 5739.33192 5739.52 6.0 1 1 16 1011.76 5801.78274 5802.08 6.0 1 1 8 acs: increase 1181.04 5912.20071 5912.085 6.0 1 1 47 1206.43 5928.70323 5928.8101 6.0 1 1 20 acs: add 1227.96 5942.67977 5942.6665 6.0 1 1 7 acs: add 1315.18 5999.20288 5998.999 6.0 1 1 7 weak 1337.62 6013.70792 6013.678 6.0 1 1 6 1366.19 6032.16274 6032.127 6.0 1 1 170 1383.47 6043.31987 6043.223 6.0 1 1 67 1408.61 6059.53275 6059.373 6.0 1 1 33 1480.10 6105.54316 6105.635 6.0 1 1 19 1542.36 6145.50101 6145.441 6.0 1 1 18 1779.49 6296.76115 6296.872 6.0 1 1 13 1894.53 6369.58526 6369.575 6.0 1 1 9 1918.46 6384.68074 6384.717 6.0 1 1 33 1968.60 6416.27306 6416.307 6.0 1 1 164 2270.21 6604.73652 6604.853 6.0 1 1 24 2387.53 6677.29304 6677.282 6.0 1 1 434 2510.55 6752.89747 6752.834 6.0 1 1 331 2704.97 6871.33546 6871.289 6.0 1 1 316 2861.11 6965.45253 6965.431 6.0 1 1 56184 2969.56 7030.25925 7030.251 6.0 1 1 319 3031.70 7067.17423 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 47.91090393066407 3031.69970703125 6129.25829703532 953.6099685088428 -14.57774627226274 -1.072766795004599 0.02918752096040704 -0.07271182938297405 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,226] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,226] units Angstroms features 32 48.15 5162.23394 5162.285 6.0 1 1 23 86.22 5187.72738 5187.746 6.0 1 1 31 136.35 5221.28451 5221.271 6.0 1 1 17 364.45 5373.67958 5373.494 6.0 1 1 5 436.10 5421.41302 5421.352 6.0 1 1 8 547.92 5495.75266 5495.874 6.0 1 1 43 642.94 5558.75531 5558.702 6.0 1 1 55 715.29 5606.61365 5606.733 6.0 1 1 53 841.25 5689.68323 5689.6401 6.0 1 1 8 acs: add; not Ar 916.73 5739.30785 5739.52 6.0 1 1 16 1012.51 5802.09189 5802.08 6.0 1 1 8 acs: increase 1181.22 5912.15783 5912.085 6.0 1 1 47 1206.86 5928.82505 5928.8101 6.0 1 1 20 acs: add 1228.18 5942.67174 5942.6665 6.0 1 1 7 acs: add 1314.86 5998.85631 5998.999 6.0 1 1 7 weak 1337.45 6013.46614 6013.678 6.0 1 1 6 1366.47 6032.21359 6032.127 6.0 1 1 170 1383.88 6043.4539 6043.223 6.0 1 1 67 1408.77 6059.50158 6059.373 6.0 1 1 33 1480.40 6105.61182 6105.635 6.0 1 1 19 1542.70 6145.60437 6145.441 6.0 1 1 18 1779.83 6296.85839 6296.872 6.0 1 1 13 1894.42 6369.39213 6369.575 6.0 1 1 9 1918.69 6384.70734 6384.717 6.0 1 1 33 1968.96 6416.37397 6416.307 6.0 1 1 164 2270.43 6604.71611 6604.853 6.0 1 1 24 2387.79 6677.27553 6677.282 6.0 1 1 434 2510.88 6752.90397 6752.834 6.0 1 1 331 2705.37 6871.35701 6871.289 6.0 1 1 316 2861.46 6965.43384 6965.431 6.0 1 1 56184 2969.95 7030.26773 7030.251 6.0 1 1 319 3032.06 7067.17234 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 48.15230560302735 3032.0576171875 6129.255479409516 953.6407643659469 -14.61809214324546 -1.099931905168299 0.06574807761168883 -0.07163244194324265 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,221] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,221] units Angstroms features 32 48.44 5162.26237 5162.285 6.0 1 1 23 86.44 5187.70074 5187.746 6.0 1 1 31 136.59 5221.26091 5221.271 6.0 1 1 17 364.78 5373.7012 5373.494 6.0 1 1 5 436.44 5421.447 5421.352 6.0 1 1 8 548.19 5495.74359 5495.874 6.0 1 1 43 643.19 5558.74152 5558.702 6.0 1 1 55 715.60 5606.63737 5606.733 6.0 1 1 53 841.35 5689.57897 5689.6401 6.0 1 1 8 acs: add; not Ar 917.08 5739.35741 5739.52 6.0 1 1 16 1012.85 5802.1301 5802.08 6.0 1 1 8 acs: increase 1181.47 5912.12416 5912.085 6.0 1 1 47 1207.03 5928.73603 5928.8101 6.0 1 1 20 acs: add 1228.44 5942.63771 5942.6665 6.0 1 1 7 acs: add 1315.72 5999.19175 5998.999 6.0 1 1 7 weak 1337.76 6013.44452 6013.678 6.0 1 1 6 1366.70 6032.13566 6032.127 6.0 1 1 170 1384.16 6043.40547 6043.223 6.0 1 1 67 1409.02 6059.43834 6059.373 6.0 1 1 33 1480.77 6105.60887 6105.635 6.0 1 1 19 1543.09 6145.60641 6145.441 6.0 1 1 18 1780.23 6296.84149 6296.872 6.0 1 1 13 1895.22 6369.61968 6369.575 6.0 1 1 9 1918.98 6384.61142 6384.717 6.0 1 1 33 1969.26 6416.28349 6416.307 6.0 1 1 164 2270.85 6604.71253 6604.853 6.0 1 1 24 2388.13 6677.2445 6677.282 6.0 1 1 434 2511.26 6752.91453 6752.834 6.0 1 1 331 2705.71 6871.36953 6871.289 6.0 1 1 316 2861.79 6965.44164 6965.431 6.0 1 1 56184 2970.31 7030.282 7030.251 6.0 1 1 319 3032.40 7067.15281 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 48.44136810302734 3032.402587890625 6129.24744694025 953.6251059718384 -14.59391259150028 -1.082714344051499 0.05405413785518379 -0.09716910817700934 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,216] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,216] units Angstroms features 32 48.73 5162.25606 5162.285 6.0 1 1 23 86.70 5187.68639 5187.746 6.0 1 1 31 136.94 5221.32003 5221.271 6.0 1 1 17 364.83 5373.58568 5373.494 6.0 1 1 5 436.68 5421.45696 5421.352 6.0 1 1 8 548.49 5495.78947 5495.874 6.0 1 1 43 643.42 5558.73559 5558.702 6.0 1 1 55 715.89 5606.67279 5606.733 6.0 1 1 53 841.67 5689.61534 5689.6401 6.0 1 1 8 acs: add; not Ar 917.44 5739.4156 5739.52 6.0 1 1 16 1013.05 5802.07446 5802.08 6.0 1 1 8 acs: increase 1181.78 5912.11906 5912.085 6.0 1 1 47 1207.26 5928.67801 5928.8101 6.0 1 1 20 acs: add 1228.69 5942.59376 5942.6665 6.0 1 1 7 acs: add 1316.17 5999.27315 5998.999 6.0 1 1 7 weak 1338.10 6013.45224 6013.678 6.0 1 1 6 1367.05 6032.14575 6032.127 6.0 1 1 170 1384.32 6043.29288 6043.223 6.0 1 1 67 1409.29 6059.39102 6059.373 6.0 1 1 33 1481.20 6105.66174 6105.635 6.0 1 1 19 1543.52 6145.658 6145.441 6.0 1 1 18 1780.59 6296.84484 6296.872 6.0 1 1 13 1895.76 6369.73812 6369.575 6.0 1 1 9 1919.35 6384.61948 6384.717 6.0 1 1 33 1969.47 6416.19391 6416.307 6.0 1 1 164 2271.08 6604.65824 6604.853 6.0 1 1 24 2388.45 6677.25039 6677.282 6.0 1 1 434 2511.60 6752.94393 6752.834 6.0 1 1 331 2705.97 6871.35563 6871.289 6.0 1 1 316 2862.12 6965.46694 6965.431 6.0 1 1 56184 2970.58 7030.25594 7030.251 6.0 1 1 319 3032.75 7067.16232 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 48.72569274902344 3032.752685546875 6129.261085942001 953.623784466224 -14.58217751963344 -1.07186088422035 0.03028115078332162 -0.09879129180692487 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,211] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,211] units Angstroms features 32 49.05 5162.23973 5162.285 6.0 1 1 23 86.98 5187.67043 5187.746 6.0 1 1 31 137.32 5221.4011 5221.271 6.0 1 1 17 364.97 5373.5653 5373.494 6.0 1 1 5 436.63 5421.31053 5421.352 6.0 1 1 8 548.72 5495.81733 5495.874 6.0 1 1 43 643.74 5558.80287 5558.702 6.0 1 1 55 716.16 5606.69427 5606.733 6.0 1 1 53 842.09 5689.71479 5689.6401 6.0 1 1 8 acs: add; not Ar 917.77 5739.44563 5739.52 6.0 1 1 16 1013.06 5801.87959 5802.08 6.0 1 1 8 acs: increase 1182.08 5912.10952 5912.085 6.0 1 1 47 1207.63 5928.7093 5928.8101 6.0 1 1 20 acs: add 1229.17 5942.69327 5942.6665 6.0 1 1 7 acs: add 1316.14 5999.04508 5998.999 6.0 1 1 7 weak 1338.93 6013.77874 6013.678 6.0 1 1 6 1367.38 6032.15707 6032.127 6.0 1 1 170 1384.66 6043.30742 6043.223 6.0 1 1 67 1409.50 6059.32223 6059.373 6.0 1 1 33 1481.44 6105.62252 6105.635 6.0 1 1 19 1543.65 6145.54743 6145.441 6.0 1 1 18 1780.85 6296.84679 6296.872 6.0 1 1 13 1895.83 6369.62914 6369.575 6.0 1 1 9 1919.65 6384.65962 6384.717 6.0 1 1 33 1969.84 6416.27671 6416.307 6.0 1 1 164 2271.44 6604.72529 6604.853 6.0 1 1 24 2388.74 6677.26348 6677.282 6.0 1 1 434 2511.84 6752.90809 6752.834 6.0 1 1 331 2706.27 6871.328 6871.289 6.0 1 1 316 2862.47 6965.46479 6965.431 6.0 1 1 56184 2970.87 7030.2374 7030.251 6.0 1 1 319 3033.08 7067.19024 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 49.04925918579101 3033.083251953125 6129.292960307416 953.6020558448502 -14.58967576039357 -1.06537729717572 0.01170254778574868 -0.06142560963475013 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,206] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,206] units Angstroms features 32 49.31 5162.25694 5162.285 6.0 1 1 23 87.27 5187.70991 5187.746 6.0 1 1 31 137.42 5221.31444 5221.271 6.0 1 1 17 365.26 5373.58728 5373.494 6.0 1 1 5 436.99 5421.3683 5421.352 6.0 1 1 8 549.00 5495.8188 5495.874 6.0 1 1 43 644.00 5558.77965 5558.702 6.0 1 1 55 716.38 5606.641 5606.733 6.0 1 1 53 842.30 5689.64343 5689.6401 6.0 1 1 8 acs: add; not Ar 917.99 5739.38307 5739.52 6.0 1 1 16 1013.63 5802.04643 5802.08 6.0 1 1 8 acs: increase 1182.44 5912.14179 5912.085 6.0 1 1 47 1208.13 5928.83977 5928.8101 6.0 1 1 20 acs: add 1229.37 5942.62867 5942.6665 6.0 1 1 7 acs: add 1316.40 5999.02177 5998.999 6.0 1 1 7 weak 1339.53 6013.98185 6013.678 6.0 1 0 6 1367.64 6032.13789 6032.127 6.0 1 1 170 1385.04 6043.36587 6043.223 6.0 1 1 67 1409.95 6059.42849 6059.373 6.0 1 1 33 1481.68 6105.59888 6105.635 6.0 1 1 19 1543.76 6145.44351 6145.441 6.0 1 1 18 1781.09 6296.82609 6296.872 6.0 1 1 13 1895.97 6369.54385 6369.575 6.0 1 1 9 1919.83 6384.60068 6384.717 6.0 1 1 33 1970.27 6416.37466 6416.307 6.0 1 1 164 2272.01 6604.87482 6604.853 6.0 1 1 24 2389.10 6677.26583 6677.282 6.0 1 1 434 2512.10 6752.83064 6752.834 6.0 1 1 331 2706.69 6871.32717 6871.289 6.0 1 1 316 2862.82 6965.43574 6965.431 6.0 1 1 56184 2971.23 7030.23858 7030.251 6.0 1 1 319 3033.42 7067.21175 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 49.30995178222656 3033.423095703126 6129.290713978029 953.5876674198954 -14.58798660175013 -1.069198390720803 0.03161941686254838 -0.04106348698310174 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,201] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,201] units Angstroms features 32 49.53 5162.26213 5162.285 6.0 1 1 23 87.51 5187.69572 5187.746 6.0 1 1 31 137.69 5221.2865 5221.271 6.0 1 1 17 365.82 5373.67569 5373.494 6.0 1 1 5 437.52 5421.4337 5421.352 6.0 1 1 8 549.34 5495.7578 5495.874 6.0 1 1 43 644.28 5558.69741 5558.702 6.0 1 1 55 716.77 5606.63356 5606.733 6.0 1 1 53 842.60 5689.60669 5689.6401 6.0 1 1 8 acs: add; not Ar 918.31 5739.36574 5739.52 6.0 1 1 16 1014.19 5802.19633 5802.08 6.0 1 1 8 acs: increase 1182.72 5912.1174 5912.085 6.0 1 1 47 1208.31 5928.75401 5928.8101 6.0 1 1 20 acs: add 1229.60 5942.57432 5942.6665 6.0 1 1 7 acs: add 1316.68 5999.00399 5998.999 6.0 1 1 7 weak 1339.41 6013.70152 6013.678 6.0 1 1 6 1367.98 6032.15696 6032.127 6.0 1 1 170 1385.35 6043.36311 6043.223 6.0 1 1 67 1410.31 6059.45588 6059.373 6.0 1 1 33 1481.99 6105.5901 6105.635 6.0 1 1 19 1544.39 6145.63538 6145.441 6.0 1 1 18 1781.32 6296.74049 6296.872 6.0 1 1 13 1896.22 6369.46315 6369.575 6.0 1 1 9 1920.27 6384.63686 6384.717 6.0 1 1 33 1970.56 6416.31627 6416.307 6.0 1 1 164 2272.54 6604.96063 6604.853 6.0 1 1 24 2389.43 6677.23425 6677.282 6.0 1 1 434 2512.49 6752.84586 6752.834 6.0 1 1 331 2706.99 6871.30776 6871.289 6.0 1 1 316 2863.16 6965.43787 6965.431 6.0 1 1 56184 2971.64 7030.26812 7030.251 6.0 1 1 319 3033.79 7067.18852 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 49.5318603515625 3033.785400390625 6129.249120483095 953.6233284095464 -14.58027559034856 -1.086632124810719 0.05647803064085448 -0.07350102148305956 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,196] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,196] units Angstroms features 32 49.95 5162.29819 5162.285 6.0 1 1 23 87.84 5187.68784 5187.746 6.0 1 1 31 137.94 5221.23905 5221.271 6.0 1 1 17 365.99 5373.63224 5373.494 6.0 1 1 5 437.77 5421.45895 5421.352 6.0 1 1 8 549.61 5495.8044 5495.874 6.0 1 1 43 644.59 5558.76396 5558.702 6.0 1 1 55 717.01 5606.65789 5606.733 6.0 1 1 53 842.85 5689.6275 5689.6401 6.0 1 1 8 acs: add; not Ar 918.56 5739.37843 5739.52 6.0 1 1 16 1013.98 5801.90064 5802.08 6.0 1 1 8 acs: increase 1182.95 5912.09071 5912.085 6.0 1 1 47 1208.69 5928.81651 5928.8101 6.0 1 1 20 acs: add 1229.89 5942.57836 5942.6665 6.0 1 1 7 acs: add 1316.98 5999.00353 5998.999 6.0 1 1 7 weak 1339.96 6013.85853 6013.678 6.0 1 1 6 1368.34 6032.18691 6032.127 6.0 1 1 170 1385.61 6043.33119 6043.223 6.0 1 1 67 1410.67 6059.48918 6059.373 6.0 1 1 33 1482.35 6105.61162 6105.635 6.0 1 1 19 1544.58 6145.54593 6145.441 6.0 1 1 18 1781.54 6296.66477 6296.872 6.0 1 1 13 1896.87 6369.66175 6369.575 6.0 1 1 9 1920.61 6384.63905 6384.717 6.0 1 1 33 1970.82 6416.26679 6416.307 6.0 1 1 164 2272.61 6604.82157 6604.853 6.0 1 1 24 2389.70 6677.23066 6677.282 6.0 1 1 434 2512.84 6752.89762 6752.834 6.0 1 1 331 2707.28 6871.3212 6871.289 6.0 1 1 316 2863.49 6965.45431 6965.431 6.0 1 1 56184 2972.05 7030.29136 7030.251 6.0 1 1 319 3034.14 7067.15304 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 49.94787597656251 3034.1416015625 6129.307417808929 953.5825879293176 -14.59785144443055 -1.073534822392778 0.01605117640634775 -0.08162826318337689 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,191] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,191] units Angstroms features 32 50.11 5162.25514 5162.285 6.0 1 1 23 88.11 5187.72804 5187.746 6.0 1 1 31 138.23 5221.29772 5221.271 6.0 1 1 17 366.00 5373.50865 5373.494 6.0 1 1 5 437.95 5421.4357 5421.352 6.0 1 1 8 549.94 5495.8738 5495.874 6.0 1 1 43 644.83 5558.76659 5558.702 6.0 1 1 55 717.25 5606.65737 5606.733 6.0 1 1 53 843.11 5689.627 5689.6401 6.0 1 1 8 acs: add; not Ar 918.75 5739.32643 5739.52 6.0 1 1 16 1014.01 5801.73858 5802.08 6.0 1 0 8 acs: increase 1183.35 5912.16483 5912.085 6.0 1 1 47 1209.03 5928.85005 5928.8101 6.0 1 1 20 acs: add 1230.03 5942.48542 5942.6665 6.0 1 1 7 acs: add 1317.29 5999.02067 5998.999 6.0 1 1 7 weak 1340.59 6014.08408 6013.678 6.0 1 0 6 1368.59 6032.1646 6032.127 6.0 1 1 170 1385.97 6043.38267 6043.223 6.0 1 1 67 1410.97 6059.49956 6059.373 6.0 1 1 33 1482.60 6105.59243 6105.635 6.0 1 1 19 1544.70 6145.44206 6145.441 6.0 1 1 18 1782.10 6296.84207 6296.872 6.0 1 1 13 1897.09 6369.62137 6369.575 6.0 1 1 9 1920.85 6384.6162 6384.717 6.0 1 1 33 1971.12 6416.27796 6416.307 6.0 1 1 164 2272.91 6604.81733 6604.853 6.0 1 1 24 2390.10 6677.27153 6677.282 6.0 1 1 434 2513.16 6752.88258 6752.834 6.0 1 1 331 2707.60 6871.29301 6871.289 6.0 1 1 316 2863.85 6965.44517 6965.431 6.0 1 1 56184 2972.40 7030.29298 7030.251 6.0 1 1 319 3034.49 7067.16677 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 50.10801315307616 3034.486572265625 6129.288235835754 953.5941789256614 -14.59594308352378 -1.071717404964863 0.01866167061486257 -0.06664737141620563 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,186] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,186] units Angstroms features 32 50.28 5162.19369 5162.285 6.0 1 1 23 88.39 5187.73626 5187.746 6.0 1 1 31 138.60 5221.37041 5221.271 6.0 1 1 17 366.37 5373.57605 5373.494 6.0 1 1 5 438.04 5421.32037 5421.352 6.0 1 1 8 550.26 5495.90729 5495.874 6.0 1 1 43 645.09 5558.76781 5558.702 6.0 1 1 55 717.57 5606.69023 5606.733 6.0 1 1 53 843.33 5689.58827 5689.6401 6.0 1 1 8 acs: add; not Ar 919.08 5739.35552 5739.52 6.0 1 1 16 1014.52 5801.88117 5802.08 6.0 1 1 8 acs: increase 1183.77 5912.2383 5912.085 6.0 1 1 47 1209.34 5928.85181 5928.8101 6.0 1 1 20 acs: add 1230.60 5942.64986 5942.6665 6.0 1 1 7 acs: add 1317.89 5999.19432 5998.999 6.0 1 1 7 weak 1340.15 6013.58323 6013.678 6.0 1 1 6 1368.90 6032.14582 6032.127 6.0 1 1 170 1386.12 6043.2576 6043.223 6.0 1 1 67 1411.22 6059.43782 6059.373 6.0 1 1 33 1483.01 6105.62885 6105.635 6.0 1 1 19 1545.23 6145.55193 6145.441 6.0 1 1 18 1782.35 6296.75605 6296.872 6.0 1 1 13 1897.39 6369.55656 6369.575 6.0 1 1 9 1921.26 6384.61795 6384.717 6.0 1 1 33 1971.54 6416.28557 6416.307 6.0 1 1 164 2273.48 6604.92054 6604.853 6.0 1 1 24 2390.42 6677.22541 6677.282 6.0 1 1 434 2513.54 6752.88167 6752.834 6.0 1 1 331 2707.94 6871.28246 6871.289 6.0 1 1 316 2864.21 6965.45449 6965.431 6.0 1 1 56184 2972.74 7030.29175 7030.251 6.0 1 1 319 3034.83 7067.16464 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 50.27638244628905 3034.829345703126 6129.24315947203 953.6139500611779 -14.57737174003608 -1.053747337874162 0.01337724024195061 -0.07473058206648325 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,181] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,181] units Angstroms features 32 50.66 5162.23934 5162.285 6.0 1 1 23 88.66 5187.70793 5187.746 6.0 1 1 31 138.88 5221.34592 5221.271 6.0 1 1 17 366.65 5373.53569 5373.494 6.0 1 1 5 438.55 5421.43103 5421.352 6.0 1 1 8 550.50 5495.82908 5495.874 6.0 1 1 43 645.43 5558.74405 5558.702 6.0 1 1 55 717.89 5606.65187 5606.733 6.0 1 1 53 843.67 5689.56486 5689.6401 6.0 1 1 8 acs: add; not Ar 919.54 5739.41065 5739.52 6.0 1 1 16 1015.18 5802.07338 5802.08 6.0 1 1 8 acs: increase 1184.10 5912.22607 5912.085 6.0 1 1 47 1209.61 5928.80689 5928.8101 6.0 1 1 20 acs: add 1230.90 5942.62647 5942.6665 6.0 1 1 7 acs: add 1318.11 5999.12883 5998.999 6.0 1 1 7 weak 1340.57 6013.65312 6013.678 6.0 1 1 6 1369.17 6032.12051 6032.127 6.0 1 1 170 1386.36 6043.21549 6043.223 6.0 1 1 67 1411.47 6059.40951 6059.373 6.0 1 1 33 1483.19 6105.56013 6105.635 6.0 1 1 19 1545.58 6145.59992 6145.441 6.0 1 1 18 1782.66 6296.80126 6296.872 6.0 1 1 13 1897.57 6369.52921 6369.575 6.0 1 1 9 1921.42 6384.57297 6384.717 6.0 1 1 33 1971.88 6416.35927 6416.307 6.0 1 1 164 2273.74 6604.91904 6604.853 6.0 1 1 24 2390.75 6677.25664 6677.282 6.0 1 1 434 2513.84 6752.8721 6752.834 6.0 1 1 331 2708.27 6871.26181 6871.289 6.0 1 1 316 2864.57 6965.44982 6965.431 6.0 1 1 56184 2973.04 7030.26323 7030.251 6.0 1 1 319 3035.21 7067.19763 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 50.65636444091796 3035.2060546875 6129.279859541115 953.6129673150801 -14.59176939549016 -1.079713946326144 0.0303954660945781 -0.05410496205791391 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,176] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,176] units Angstroms features 32 50.96 5162.27077 5162.285 6.0 1 1 23 88.85 5187.66592 5187.746 6.0 1 1 31 139.14 5221.34992 5221.271 6.0 1 1 17 366.93 5373.53622 5373.494 6.0 1 1 5 438.87 5421.44815 5421.352 6.0 1 1 8 550.76 5495.79536 5495.874 6.0 1 1 43 645.81 5558.78377 5558.702 6.0 1 1 55 718.21 5606.65206 5606.733 6.0 1 1 53 844.03 5689.58497 5689.6401 6.0 1 1 8 acs: add; not Ar 919.84 5739.39456 5739.52 6.0 1 1 16 1015.44 5802.02875 5802.08 6.0 1 1 8 acs: increase 1184.38 5912.20384 5912.085 6.0 1 1 47 1209.94 5928.81745 5928.8101 6.0 1 1 20 acs: add 1231.17 5942.59732 5942.6665 6.0 1 1 7 acs: add 1318.26 5999.03138 5998.999 6.0 1 1 7 weak 1341.45 6014.02546 6013.678 6.0 1 0 6 1369.50 6032.14246 6032.127 6.0 1 1 170 1386.85 6043.34347 6043.223 6.0 1 1 67 1411.90 6059.49434 6059.373 6.0 1 1 33 1483.40 6105.51594 6105.635 6.0 1 1 19 1545.84 6145.58926 6145.441 6.0 1 1 18 1782.89 6296.78912 6296.872 6.0 1 1 13 1897.62 6369.40716 6369.575 6.0 1 1 9 1921.79 6384.65749 6384.717 6.0 1 1 33 1972.09 6416.33614 6416.307 6.0 1 1 164 2273.99 6604.90348 6604.853 6.0 1 1 24 2391.17 6677.32768 6677.282 6.0 1 1 434 2514.16 6752.869 6752.834 6.0 1 1 331 2708.61 6871.24828 6871.289 6.0 1 1 316 2864.92 6965.43893 6965.431 6.0 1 1 56184 2973.35 7030.2373 7030.251 6.0 1 1 319 3035.59 7067.22522 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 50.96157455444336 3035.58544921875 6129.305044023474 953.6125297145687 -14.59917520974351 -1.098188694658941 0.04212611634013572 -0.03711305242329629 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,171] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,171] units Angstroms features 32 51.30 5162.27686 5162.285 6.0 1 1 23 89.10 5187.62076 5187.746 6.0 1 1 31 139.43 5221.34834 5221.271 6.0 1 1 17 367.34 5373.65138 5373.494 6.0 1 1 5 439.02 5421.39391 5421.352 6.0 1 1 8 551.09 5495.86471 5495.874 6.0 1 1 43 646.07 5558.80362 5558.702 6.0 1 1 55 718.44 5606.64456 5606.733 6.0 1 1 53 844.15 5689.50104 5689.6401 6.0 1 1 8 acs: add; not Ar 920.01 5739.33344 5739.52 6.0 1 1 16 1015.57 5801.92992 5802.08 6.0 1 1 8 acs: increase 1184.72 5912.22795 5912.085 6.0 1 1 47 1210.21 5928.78582 5928.8101 6.0 1 1 20 acs: add 1231.27 5942.45966 5942.6665 6.0 1 1 7 acs: add 1318.73 5999.11948 5998.999 6.0 1 1 7 weak 1341.72 6013.9796 6013.678 6.0 1 1 6 1369.86 6032.15527 6032.127 6.0 1 1 170 1387.15 6043.30981 6043.223 6.0 1 1 67 1412.18 6059.44846 6059.373 6.0 1 1 33 1483.86 6105.57666 6105.635 6.0 1 1 19 1546.19 6145.57967 6145.441 6.0 1 1 18 1783.12 6296.685 6296.872 6.0 1 1 13 1898.01 6369.39764 6369.575 6.0 1 1 9 1922.40 6384.78992 6384.717 6.0 1 1 33 1972.43 6416.29884 6416.307 6.0 1 1 164 2274.13 6604.76116 6604.853 6.0 1 1 24 2391.47 6677.2975 6677.282 6.0 1 1 434 2514.58 6752.92158 6752.834 6.0 1 1 331 2709.05 6871.31759 6871.289 6.0 1 1 316 2865.29 6965.45514 6965.431 6.0 1 1 56184 2973.72 7030.2378 7030.251 6.0 1 1 319 3035.93 7067.19059 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 51.29918670654296 3035.933349609375 6129.317774061711 953.5816022090457 -14.59693025517656 -1.079124302398991 0.01287944817362631 -0.04561200048584036 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,166] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,166] units Angstroms features 32 51.57 5162.30669 5162.285 6.0 1 1 23 89.41 5187.67168 5187.746 6.0 1 1 31 139.56 5221.26431 5221.271 6.0 1 1 17 367.46 5373.53679 5373.494 6.0 1 1 5 439.41 5421.46221 5421.352 6.0 1 1 8 551.44 5495.90166 5495.874 6.0 1 1 43 646.36 5558.80445 5558.702 6.0 1 1 55 718.80 5606.69003 5606.733 6.0 1 1 53 844.44 5689.48667 5689.6401 6.0 1 1 8 acs: add; not Ar 920.36 5739.36154 5739.52 6.0 1 1 16 1015.97 5801.9864 5802.08 6.0 1 1 8 acs: increase 1185.13 5912.26823 5912.085 6.0 1 1 47 1210.42 5928.69752 5928.8101 6.0 1 1 20 acs: add 1231.62 5942.45608 5942.6665 6.0 1 1 7 acs: add 1319.01 5999.05939 5998.999 6.0 1 1 7 weak 1342.16 6014.02337 6013.678 6.0 1 1 6 1370.17 6032.11072 6032.127 6.0 1 1 170 1387.48 6043.28383 6043.223 6.0 1 1 67 1412.38 6059.33437 6059.373 6.0 1 1 33 1484.13 6105.49658 6105.635 6.0 1 1 19 1546.79 6145.7004 6145.441 6.0 1 1 18 1783.71 6296.78876 6296.872 6.0 1 1 13 1898.72 6369.57736 6369.575 6.0 1 1 9 1922.75 6384.73701 6384.717 6.0 1 1 33 1972.81 6416.27436 6416.307 6.0 1 1 164 2274.33 6604.64221 6604.853 6.0 1 1 24 2391.80 6677.27747 6677.282 6.0 1 1 434 2514.91 6752.91193 6752.834 6.0 1 1 331 2709.45 6871.36875 6871.289 6.0 1 1 316 2865.64 6965.46265 6965.431 6.0 1 1 56184 2974.16 7030.26245 7030.251 6.0 1 1 319 3036.32 7067.15784 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 51.56706237792969 3036.322998046875 6129.311950818221 953.5770012140309 -14.57361443296426 -1.085223249703652 -0.006070194724886452 -0.06620627012080062 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,161] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,161] units Angstroms features 32 51.76 5162.28865 5162.285 6.0 1 1 23 89.69 5187.71439 5187.746 6.0 1 1 31 139.84 5221.31072 5221.271 6.0 1 1 17 367.36 5373.31999 5373.494 6.0 1 1 5 439.72 5421.51033 5421.352 6.0 1 1 8 551.71 5495.90994 5495.874 6.0 1 1 43 646.62 5558.79392 5558.702 6.0 1 1 55 719.18 5606.74767 5606.733 6.0 1 1 53 844.90 5689.58584 5689.6401 6.0 1 1 8 acs: add; not Ar 920.70 5739.37406 5739.52 6.0 1 1 16 1016.40 5802.045 5802.08 6.0 1 1 8 acs: increase 1185.43 5912.23552 5912.085 6.0 1 1 47 1210.76 5928.68465 5928.8101 6.0 1 1 20 acs: add 1232.18 5942.5888 5942.6665 6.0 1 1 7 acs: add 1319.51 5999.15479 5998.999 6.0 1 1 7 weak 1342.63 6014.09674 6013.678 6.0 1 0 6 1370.49 6032.08547 6032.127 6.0 1 1 170 1387.90 6043.3186 6043.223 6.0 1 1 67 1412.77 6059.34809 6059.373 6.0 1 1 33 1484.38 6105.4244 6105.635 6.0 1 1 19 1547.01 6145.60745 6145.441 6.0 1 1 18 1784.36 6296.9659 6296.872 6.0 1 1 13 1899.17 6369.63165 6369.575 6.0 1 1 9 1923.01 6384.67118 6384.717 6.0 1 1 33 1973.21 6416.29137 6416.307 6.0 1 1 164 2274.80 6604.69744 6604.853 6.0 1 1 24 2392.17 6677.26283 6677.282 6.0 1 1 434 2515.26 6752.88416 6752.834 6.0 1 1 331 2709.81 6871.33708 6871.289 6.0 1 1 316 2866.03 6965.44394 6965.431 6.0 1 1 56184 2974.61 7030.29026 7030.251 6.0 1 1 319 3036.72 7067.1616 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 51.76336669921874 3036.715332031251 6129.288385127045 953.5777422048331 -14.5545840898399 -1.085486107538014 -0.008678523623892189 -0.05578016334094195 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,156] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,156] units Angstroms features 32 52.12 5162.26196 5162.285 6.0 1 1 23 90.08 5187.71418 5187.746 6.0 1 1 31 140.21 5221.29493 5221.271 6.0 1 1 17 368.14 5373.57964 5373.494 6.0 1 1 5 439.90 5421.36812 5421.352 6.0 1 1 8 552.03 5495.87012 5495.874 6.0 1 1 43 646.96 5558.77178 5558.702 6.0 1 1 55 719.48 5606.70449 5606.733 6.0 1 1 53 845.17 5689.52841 5689.6401 6.0 1 1 8 acs: add; not Ar 921.08 5739.38978 5739.52 6.0 1 1 16 1016.68 5802.00141 5802.08 6.0 1 1 8 acs: increase 1185.74 5912.22155 5912.085 6.0 1 1 47 1211.16 5928.73307 5928.8101 6.0 1 1 20 acs: add 1232.71 5942.72035 5942.6665 6.0 1 1 7 acs: add 1319.78 5999.11999 5998.999 6.0 1 1 7 weak 1342.87 6014.04302 6013.678 6.0 1 0 6 1370.85 6032.11036 6032.127 6.0 1 1 170 1388.25 6043.33946 6043.223 6.0 1 1 67 1413.16 6059.39506 6059.373 6.0 1 1 33 1484.86 6105.52705 6105.635 6.0 1 1 19 1547.09 6145.46333 6145.441 6.0 1 1 18 1784.50 6296.85969 6296.872 6.0 1 1 13 1899.37 6369.55572 6369.575 6.0 1 1 9 1923.38 6384.70225 6384.717 6.0 1 1 33 1973.60 6416.33734 6416.307 6.0 1 1 164 2275.19 6604.72562 6604.853 6.0 1 1 24 2392.58 6677.29262 6677.282 6.0 1 1 434 2515.65 6752.8876 6752.834 6.0 1 1 331 2710.16 6871.3115 6871.289 6.0 1 1 316 2866.42 6965.43928 6965.431 6.0 1 1 56184 2975.02 7030.29875 7030.251 6.0 1 1 319 3037.11 7067.1603 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 52.11524581909179 3037.111572265625 6129.290881351308 953.5914018911053 -14.5810822063426 -1.088481701448661 0.001332616916188514 -0.05375335092334321 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,151] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,151] units Angstroms features 32 52.39 5162.21237 5162.285 6.0 1 1 23 90.42 5187.70722 5187.746 6.0 1 1 31 140.65 5221.35456 5221.271 6.0 1 1 17 368.54 5373.63777 5373.494 6.0 1 1 5 440.18 5421.35168 5421.352 6.0 1 1 8 552.33 5495.86762 5495.874 6.0 1 1 43 647.25 5558.76446 5558.702 6.0 1 1 55 719.74 5606.68127 5606.733 6.0 1 1 53 845.37 5689.47043 5689.6401 6.0 1 1 8 acs: add; not Ar 921.31 5739.347 5739.52 6.0 1 1 16 1016.95 5801.98406 5802.08 6.0 1 1 8 acs: increase 1186.14 5912.28272 5912.085 6.0 1 1 47 1211.68 5928.87272 5928.8101 6.0 1 1 20 acs: add 1232.87 5942.62473 5942.6665 6.0 1 1 7 acs: add 1319.92 5999.00946 5998.999 6.0 1 1 7 weak 1342.90 6013.85928 6013.678 6.0 1 1 6 1371.18 6032.12129 6032.127 6.0 1 1 170 1388.55 6043.32659 6043.223 6.0 1 1 67 1413.41 6059.34849 6059.373 6.0 1 1 33 1485.30 6105.60056 6105.635 6.0 1 1 19 1547.43 6145.46671 6145.441 6.0 1 1 18 1784.50 6296.63011 6296.872 6.0 1 1 13 1900.00 6369.72173 6369.575 6.0 1 1 9 1923.77 6384.72036 6384.717 6.0 1 1 33 1973.86 6416.26481 6416.307 6.0 1 1 164 2275.63 6604.76503 6604.853 6.0 1 1 24 2392.88 6677.25322 6677.282 6.0 1 1 434 2516.02 6752.89568 6752.834 6.0 1 1 331 2710.55 6871.3348 6871.289 6.0 1 1 316 2866.78 6965.45554 6965.431 6.0 1 1 56184 2975.26 7030.24335 7030.251 6.0 1 1 319 3037.48 7067.18808 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 52.39219665527343 3037.480224609375 6129.283525414008 953.6149440724461 -14.58275704702298 -1.068991030761142 -5.453289626337958E-4 -0.05809653266732771 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,146] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,146] units Angstroms features 32 52.70 5162.22335 5162.285 6.0 1 1 23 90.63 5187.64908 5187.746 6.0 1 1 31 141.06 5221.4258 5221.271 6.0 1 1 17 368.80 5373.58228 5373.494 6.0 1 1 5 440.56 5421.3761 5421.352 6.0 1 1 8 552.65 5495.85726 5495.874 6.0 1 1 43 647.59 5558.76393 5558.702 6.0 1 1 55 720.10 5606.6997 5606.733 6.0 1 1 53 845.71 5689.47868 5689.6401 6.0 1 1 8 acs: add; not Ar 921.61 5739.34038 5739.52 6.0 1 1 16 1017.34 5802.04581 5802.08 6.0 1 1 8 acs: increase 1186.39 5912.26497 5912.085 6.0 1 1 47 1211.81 5928.78059 5928.8101 6.0 1 1 20 acs: add 1232.84 5942.42769 5942.6665 6.0 1 1 7 acs: add 1320.57 5999.25459 5998.999 6.0 1 1 7 weak 1343.14 6013.84775 6013.678 6.0 1 1 6 1371.42 6032.10706 6032.127 6.0 1 1 170 1388.88 6043.37449 6043.223 6.0 1 1 67 1413.64 6059.33746 6059.373 6.0 1 1 33 1485.58 6105.62177 6105.635 6.0 1 1 19 1547.75 6145.50979 6145.441 6.0 1 1 18 1784.86 6296.7003 6296.872 6.0 1 1 13 1899.78 6369.4212 6369.575 6.0 1 1 9 1924.06 6384.73887 6384.717 6.0 1 1 33 1974.16 6416.28634 6416.307 6.0 1 1 164 2276.24 6604.93911 6604.853 6.0 1 1 24 2393.24 6677.24872 6677.282 6.0 1 1 434 2516.38 6752.87736 6752.834 6.0 1 1 331 2710.90 6871.2937 6871.289 6.0 1 1 316 2867.15 6965.43172 6965.431 6.0 1 1 56184 2975.66 7030.25932 7030.251 6.0 1 1 319 3037.84 7067.1985 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 52.69600677490233 3037.843505859375 6129.287861649954 953.6101414504563 -14.60566218686102 -1.073112135569511 0.02872663997342312 -0.04945291161986075 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,141] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,141] units Angstroms features 32 53.03 5162.25728 5162.285 6.0 1 1 23 90.99 5187.70347 5187.746 6.0 1 1 31 141.19 5221.33869 5221.271 6.0 1 1 17 368.86 5373.4662 5373.494 6.0 1 1 5 440.84 5421.40559 5421.352 6.0 1 1 8 552.93 5495.87945 5495.874 6.0 1 1 43 647.97 5558.85188 5558.702 6.0 1 1 55 720.39 5606.71879 5606.733 6.0 1 1 53 846.13 5689.57982 5689.6401 6.0 1 1 8 acs: add; not Ar 921.91 5739.35587 5739.52 6.0 1 1 16 1017.38 5801.89089 5802.08 6.0 1 1 8 acs: increase 1186.55 5912.18011 5912.085 6.0 1 1 47 1212.03 5928.73388 5928.8101 6.0 1 1 20 acs: add 1233.35 5942.57445 5942.6665 6.0 1 1 7 acs: add 1320.82 5999.23126 5998.999 6.0 1 1 7 weak 1343.14 6013.65593 6013.678 6.0 1 1 6 1371.76 6032.14136 6032.127 6.0 1 1 170 1389.27 6043.43569 6043.223 6.0 1 1 67 1414.05 6059.41163 6059.373 6.0 1 1 33 1485.83 6105.59404 6105.635 6.0 1 1 19 1548.05 6145.51659 6145.441 6.0 1 1 18 1785.33 6296.81417 6296.872 6.0 1 1 13 1900.01 6369.3784 6369.575 6.0 1 1 9 1924.36 6384.7352 6384.717 6.0 1 1 33 1974.46 6416.28371 6416.307 6.0 1 1 164 2276.51 6604.90333 6604.853 6.0 1 1 24 2393.61 6677.27061 6677.282 6.0 1 1 434 2516.73 6752.86892 6752.834 6.0 1 1 331 2711.29 6871.29805 6871.289 6.0 1 1 316 2867.53 6965.41381 6965.431 6.0 1 1 56184 2976.13 7030.29271 7030.251 6.0 1 1 319 3038.22 7067.18191 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 53.03445816040038 3038.22216796875 6129.318330219097 953.572245729371 -14.62211170137543 -1.070778983708483 0.02337935692155375 -0.03915289965980607 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,136] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,136] units Angstroms features 32 53.22 5162.2281 5162.285 6.0 1 1 23 91.23 5187.69652 5187.746 6.0 1 1 31 141.42 5221.31211 5221.271 6.0 1 1 17 369.47 5373.65505 5373.494 6.0 1 1 5 441.23 5421.43979 5421.352 6.0 1 1 8 553.22 5495.84692 5495.874 6.0 1 1 43 648.29 5558.83231 5558.702 6.0 1 1 55 720.52 5606.57477 5606.733 6.0 1 1 53 846.41 5689.52546 5689.6401 6.0 1 1 8 acs: add; not Ar 922.26 5739.3441 5739.52 6.0 1 1 16 1017.66 5801.82429 5802.08 6.0 1 1 8 acs: increase 1186.91 5912.16391 5912.085 6.0 1 1 47 1212.47 5928.76332 5928.8101 6.0 1 1 20 acs: add 1233.93 5942.69117 5942.6665 6.0 1 1 7 acs: add 1321.30 5999.27936 5998.999 6.0 1 1 7 weak 1343.69 6013.75102 6013.678 6.0 1 1 6 1372.20 6032.16127 6032.127 6.0 1 1 170 1389.67 6043.43136 6043.223 6.0 1 1 67 1414.47 6059.41538 6059.373 6.0 1 1 33 1486.10 6105.49753 6105.635 6.0 1 1 19 1548.52 6145.54772 6145.441 6.0 1 1 18 1785.70 6296.77931 6296.872 6.0 1 1 13 1900.46 6369.39722 6369.575 6.0 1 1 9 1924.79 6384.7461 6384.717 6.0 1 1 33 1974.82 6416.25119 6416.307 6.0 1 1 164 2276.75 6604.82655 6604.853 6.0 1 1 24 2393.97 6677.2756 6677.282 6.0 1 1 434 2517.07 6752.87981 6752.834 6.0 1 1 331 2711.67 6871.34098 6871.289 6.0 1 1 316 2867.92 6965.45231 6965.431 6.0 1 1 56184 2976.46 7030.27258 7030.251 6.0 1 1 319 3038.60 7067.1606 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 53.2222785949707 3038.59814453125 6129.27457833431 953.6114594443313 -14.59113481540337 -1.089468948216303 0.01090770058005414 -0.05574016427868929 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,131] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,131] units Angstroms features 32 53.55 5162.20515 5162.285 6.0 1 1 23 91.57 5187.69592 5187.746 6.0 1 1 31 141.83 5221.36722 5221.271 6.0 1 1 17 369.73 5373.62065 5373.494 6.0 1 1 5 441.51 5421.41704 5421.352 6.0 1 1 8 553.56 5495.85015 5495.874 6.0 1 1 43 648.56 5558.78014 5558.702 6.0 1 1 55 720.89 5606.58006 5606.733 6.0 1 1 53 846.90 5689.60463 5689.6401 6.0 1 1 8 acs: add; not Ar 922.67 5739.36294 5739.52 6.0 1 1 16 1018.25 5801.95385 5802.08 6.0 1 1 8 acs: increase 1187.17 5912.06793 5912.085 6.0 1 1 47 1212.74 5928.67605 5928.8101 6.0 1 1 20 acs: add 1234.16 5942.58101 5942.6665 6.0 1 1 7 acs: add 1321.68 5999.26242 5998.999 6.0 1 1 7 weak 1344.53 6014.03634 6013.678 6.0 1 1 6 1372.56 6032.13308 6032.127 6.0 1 1 170 1389.97 6043.36484 6043.223 6.0 1 1 67 1414.81 6059.37559 6059.373 6.0 1 1 33 1486.48 6105.49057 6105.635 6.0 1 1 19 1548.84 6145.50242 6145.441 6.0 1 1 18 1786.11 6296.80081 6296.872 6.0 1 1 13 1900.75 6369.348 6369.575 6.0 1 1 9 1925.29 6384.83125 6384.717 6.0 1 1 33 1975.25 6416.2934 6416.307 6.0 1 1 164 2277.03 6604.77629 6604.853 6.0 1 1 24 2394.30 6677.26288 6677.282 6.0 1 1 434 2517.45 6752.88994 6752.834 6.0 1 1 331 2712.07 6871.34629 6871.289 6.0 1 1 316 2868.33 6965.46201 6965.431 6.0 1 1 56184 2976.84 7030.25578 7030.251 6.0 1 1 319 3039.01 7067.16905 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 53.55134201049804 3039.011962890625 6129.276332445441 953.6211180909124 -14.5870251779885 -1.096496183630066 -0.00220628027788604 -0.04267213412287592 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,126] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,126] units Angstroms features 32 53.89 5162.19776 5162.285 6.0 1 1 23 91.98 5187.73067 5187.746 6.0 1 1 31 142.24 5221.40309 5221.271 6.0 1 1 17 369.73 5373.41701 5373.494 6.0 1 1 5 441.84 5421.43816 5421.352 6.0 1 1 8 553.86 5495.87127 5495.874 6.0 1 1 43 648.83 5558.79647 5558.702 6.0 1 1 55 721.29 5606.69471 5606.733 6.0 1 1 53 847.17 5689.6375 5689.6401 6.0 1 1 8 acs: add; not Ar 922.85 5739.34842 5739.52 6.0 1 1 16 1018.56 5802.02665 5802.08 6.0 1 1 8 acs: increase 1187.44 5912.11414 5912.085 6.0 1 1 47 1213.04 5928.738 5928.8101 6.0 1 1 20 acs: add 1234.28 5942.52385 5942.6665 6.0 1 1 7 acs: add 1321.87 5999.25012 5998.999 6.0 1 1 7 weak 1344.19 6013.67781 6013.678 6.0 1 1 6 1372.84 6032.17345 6032.127 6.0 1 1 170 1390.21 6043.37566 6043.223 6.0 1 1 67 1415.00 6059.35491 6059.373 6.0 1 1 33 1486.86 6105.58022 6105.635 6.0 1 1 19 1549.06 6145.47823 6145.441 6.0 1 1 18 1786.50 6296.85452 6296.872 6.0 1 1 13 1901.30 6369.49065 6369.575 6.0 1 1 9 1925.55 6384.78393 6384.717 6.0 1 1 33 1975.57 6416.28046 6416.307 6.0 1 1 164 2277.38 6604.76031 6604.853 6.0 1 1 24 2394.67 6677.24646 6677.282 6.0 1 1 434 2517.84 6752.88887 6752.834 6.0 1 1 331 2712.43 6871.3446 6871.289 6.0 1 1 316 2868.67 6965.45589 6965.431 6.0 1 1 56184 2977.13 7030.23766 7030.251 6.0 1 1 319 3039.36 7067.19225 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 53.89186096191406 3039.36279296875 6129.298865169764 953.6072873586649 -14.61383729642627 -1.056277948365308 0.00997684483771759 -0.05375977272776766 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,121] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,121] units Angstroms features 32 54.12 5162.21929 5162.285 6.0 1 1 23 92.23 5187.75837 5187.746 6.0 1 1 31 142.38 5221.34567 5221.271 6.0 1 1 17 369.92 5373.35292 5373.494 6.0 1 1 5 442.23 5421.50634 5421.352 6.0 1 1 8 554.14 5495.86746 5495.874 6.0 1 1 43 649.19 5558.83986 5558.702 6.0 1 1 55 721.56 5606.67672 5606.733 6.0 1 1 53 847.41 5689.60567 5689.6401 6.0 1 1 8 acs: add; not Ar 923.24 5739.4142 5739.52 6.0 1 1 16 1018.72 5801.94639 5802.08 6.0 1 1 8 acs: increase 1187.89 5912.22642 5912.085 6.0 1 1 47 1213.36 5928.76641 5928.8101 6.0 1 1 20 acs: add 1234.48 5942.47411 5942.6665 6.0 1 1 7 acs: add 1322.02 5999.16848 5998.999 6.0 1 1 7 weak 1344.30 6013.57164 6013.678 6.0 1 1 6 1373.16 6032.20336 6032.127 6.0 1 1 170 1390.51 6043.39112 6043.223 6.0 1 1 67 1415.27 6059.35173 6059.373 6.0 1 1 33 1487.28 6105.6735 6105.635 6.0 1 1 19 1549.38 6145.50485 6145.441 6.0 1 1 18 1786.73 6296.81771 6296.872 6.0 1 1 13 1901.57 6369.46672 6369.575 6.0 1 1 9 1925.80 6384.75102 6384.717 6.0 1 1 33 1975.96 6416.3283 6416.307 6.0 1 1 164 2277.72 6604.75157 6604.853 6.0 1 1 24 2395.08 6677.27401 6677.282 6.0 1 1 434 2518.24 6752.9048 6752.834 6.0 1 1 331 2712.77 6871.32019 6871.289 6.0 1 1 316 2869.01 6965.4442 6965.431 6.0 1 1 56184 2977.46 7030.23611 7030.251 6.0 1 1 319 3039.70 7067.20457 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 54.11817169189452 3039.703125 6129.287711536305 953.6048394742868 -14.606751937911 -1.057193684060089 0.03097048593569471 -0.05500175971006427 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,116] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,116] units Angstroms features 32 54.44 5162.23895 5162.285 6.0 1 1 23 92.50 5187.74693 5187.746 6.0 1 1 31 142.59 5221.28859 5221.271 6.0 1 1 17 370.36 5373.44723 5373.494 6.0 1 1 5 442.55 5421.52032 5421.352 6.0 1 1 8 554.41 5495.84067 5495.874 6.0 1 1 43 649.51 5558.85516 5558.702 6.0 1 1 55 721.91 5606.70845 5606.733 6.0 1 1 53 847.54 5689.4953 5689.6401 6.0 1 1 8 acs: add; not Ar 923.55 5739.41682 5739.52 6.0 1 1 16 1019.08 5801.97997 5802.08 6.0 1 1 8 acs: increase 1188.15 5912.19031 5912.085 6.0 1 1 47 1213.64 5928.74837 5928.8101 6.0 1 1 20 acs: add 1234.61 5942.35222 5942.6665 6.0 1 1 7 acs: add 1322.20 5999.08161 5998.999 6.0 1 1 7 weak 1344.74 6013.64431 6013.678 6.0 1 1 6 1373.47 6032.18965 6032.127 6.0 1 1 170 1390.87 6043.41248 6043.223 6.0 1 1 67 1415.73 6059.43749 6059.373 6.0 1 1 33 1487.70 6105.72674 6105.635 6.0 1 1 19 1549.93 6145.64632 6145.441 6.0 1 1 18 1787.13 6296.85075 6296.872 6.0 1 1 13 1901.81 6369.39957 6369.575 6.0 1 1 9 1926.05 6384.68683 6384.717 6.0 1 1 33 1976.32 6416.33628 6416.307 6.0 1 1 164 2277.97 6604.69282 6604.853 6.0 1 1 24 2395.40 6677.26185 6677.282 6.0 1 1 434 2518.62 6752.92567 6752.834 6.0 1 1 331 2713.21 6871.36674 6871.289 6.0 1 1 316 2869.42 6965.4542 6965.431 6.0 1 1 56184 2977.93 7030.25175 7030.251 6.0 1 1 319 3040.11 7067.16936 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 54.43849945068359 3040.109375 6129.302285924639 953.5928272073288 -14.62033658088096 -1.065923622058917 0.0222070753819618 -0.06170127776748772 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,111] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,111] units Angstroms features 32 54.62 5162.21155 5162.285 6.0 1 1 23 92.74 5187.74261 5187.746 6.0 1 1 31 142.89 5221.30622 5221.271 6.0 1 1 17 370.97 5373.62118 5373.494 6.0 1 1 5 442.75 5421.41568 5421.352 6.0 1 1 8 554.72 5495.81195 5495.874 6.0 1 1 43 649.75 5558.77408 5558.702 6.0 1 1 55 722.17 5606.64555 5606.733 6.0 1 1 53 848.01 5689.57525 5689.6401 6.0 1 1 8 acs: add; not Ar 923.89 5739.41052 5739.52 6.0 1 1 16 1019.45 5801.99512 5802.08 6.0 1 1 8 acs: increase 1188.48 5912.17464 5912.085 6.0 1 1 47 1214.06 5928.78738 5928.8101 6.0 1 1 20 acs: add 1235.14 5942.46752 5942.6665 6.0 1 1 7 acs: add 1322.64 5999.12482 5998.999 6.0 1 1 7 weak 1345.22 6013.7191 6013.678 6.0 1 1 6 1373.76 6032.14315 6032.127 6.0 1 1 170 1391.16 6043.36731 6043.223 6.0 1 1 67 1416.13 6059.4542 6059.373 6.0 1 1 33 1487.81 6105.55886 6105.635 6.0 1 1 19 1550.22 6145.58828 6145.441 6.0 1 1 18 1787.53 6296.84738 6296.872 6.0 1 1 13 1902.43 6369.53059 6369.575 6.0 1 1 9 1926.49 6384.70881 6384.717 6.0 1 1 33 1976.59 6416.24617 6416.307 6.0 1 1 164 2278.50 6604.77261 6604.853 6.0 1 1 24 2395.71 6677.21192 6677.282 6.0 1 1 434 2518.93 6752.89301 6752.834 6.0 1 1 331 2713.57 6871.37397 6871.289 6.0 1 1 316 2869.80 6965.46535 6965.431 6.0 1 1 56184 2978.33 7030.25917 7030.251 6.0 1 1 319 3040.51 7067.15976 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 54.61574935913086 3040.51318359375 6129.259627532247 953.6339052921622 -14.59967262627485 -1.078738542763912 0.02569972565228811 -0.08105932590371845 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,106] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,106] units Angstroms features 32 54.90 5162.24665 5162.285 6.0 1 1 23 93.00 5187.77224 5187.746 6.0 1 1 31 143.04 5221.26459 5221.271 6.0 1 1 17 371.82 5374.05831 5373.494 6.0 1 0 5 442.97 5421.42326 5421.352 6.0 1 1 8 555.00 5495.84491 5495.874 6.0 1 1 43 650.08 5558.82683 5558.702 6.0 1 1 55 722.45 5606.6537 5606.733 6.0 1 1 53 848.42 5689.64214 5689.6401 6.0 1 1 8 acs: add; not Ar 924.23 5739.43172 5739.52 6.0 1 1 16 1019.69 5801.93528 5802.08 6.0 1 1 8 acs: increase 1188.83 5912.16964 5912.085 6.0 1 1 47 1214.49 5928.83389 5928.8101 6.0 1 1 20 acs: add 1235.55 5942.50314 5942.6665 6.0 1 1 7 acs: add 1322.93 5999.07804 5998.999 6.0 1 1 7 weak 1345.62 6013.74241 6013.678 6.0 1 1 6 1374.12 6032.13545 6032.127 6.0 1 1 170 1391.48 6043.33684 6043.223 6.0 1 1 67 1416.53 6059.47758 6059.373 6.0 1 1 33 1488.03 6105.46105 6105.635 6.0 1 1 19 1550.55 6145.56248 6145.441 6.0 1 1 18 1787.70 6296.72422 6296.872 6.0 1 1 13 1902.97 6369.6461 6369.575 6.0 1 1 9 1927.01 6384.8009 6384.717 6.0 1 1 33 1976.94 6416.23942 6416.307 6.0 1 1 164 2278.88 6604.77787 6604.853 6.0 1 1 24 2396.13 6677.23982 6677.282 6.0 1 1 434 2519.28 6752.86592 6752.834 6.0 1 1 331 2713.91 6871.33655 6871.289 6.0 1 1 316 2870.18 6965.46155 6965.431 6.0 1 1 56184 2978.68 7030.25197 7030.251 6.0 1 1 319 3040.90 7067.18353 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 54.8974494934082 3040.8974609375 6129.270182090226 953.6076290362238 -14.57330049905233 -1.073252241007093 0.01820649165613269 -0.0659376675302154 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,101] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,101] units Angstroms features 32 55.41 5162.34374 5162.285 6.0 1 1 23 93.21 5187.65466 5187.746 6.0 1 1 31 143.30 5221.16801 5221.271 6.0 1 1 17 371.88 5373.79967 5373.494 6.0 1 1 5 443.38 5421.40352 5421.352 6.0 1 1 8 555.36 5495.7957 5495.874 6.0 1 1 43 650.38 5558.75198 5558.702 6.0 1 1 55 722.83 5606.63958 5606.733 6.0 1 1 53 848.67 5689.56604 5689.6401 6.0 1 1 8 acs: add; not Ar 924.56 5739.40899 5739.52 6.0 1 1 16 1019.87 5801.82489 5802.08 6.0 1 1 8 acs: increase 1189.19 5912.194 5912.085 6.0 1 1 47 1214.87 5928.86682 5928.8101 6.0 1 1 20 acs: add 1236.01 5942.58517 5942.6665 6.0 1 1 7 acs: add 1323.19 5999.03908 5998.999 6.0 1 1 7 weak 1345.92 6013.7233 6013.678 6.0 1 1 6 1374.53 6032.19666 6032.127 6.0 1 1 170 1391.89 6043.38979 6043.223 6.0 1 1 67 1416.77 6059.42046 6059.373 6.0 1 1 33 1488.53 6105.57091 6105.635 6.0 1 1 19 1550.91 6145.58234 6145.441 6.0 1 1 18 1788.29 6296.88313 6296.872 6.0 1 1 13 1903.06 6369.48628 6369.575 6.0 1 1 9 1927.08 6384.63395 6384.717 6.0 1 1 33 1977.35 6416.27924 6416.307 6.0 1 1 164 2279.19 6604.75222 6604.853 6.0 1 1 24 2396.52 6677.26466 6677.282 6.0 1 1 434 2519.67 6752.89471 6752.834 6.0 1 1 331 2714.30 6871.35717 6871.289 6.0 1 1 316 2870.58 6965.46148 6965.431 6.0 1 1 56184 2979.17 7030.2761 7030.251 6.0 1 1 319 3041.33 7067.14947 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 55.40569686889649 3041.32666015625 6129.324686314855 953.580086344829 -14.60303906033011 -1.092640948559193 0.02495546514376154 -0.08458132370011005 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,96] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,96] units Angstroms features 32 55.69 5162.23593 5162.285 6.0 1 1 23 93.65 5187.68096 5187.746 6.0 1 1 31 143.95 5221.37024 5221.271 6.0 1 1 17 371.72 5373.50998 5373.494 6.0 1 1 5 443.75 5421.46909 5421.352 6.0 1 1 8 555.76 5495.86608 5495.874 6.0 1 1 43 650.72 5558.7646 5558.702 6.0 1 1 55 723.18 5606.65044 5606.733 6.0 1 1 53 849.07 5689.58271 5689.6401 6.0 1 1 8 acs: add; not Ar 924.80 5739.31342 5739.52 6.0 1 1 16 1019.96 5801.62354 5802.08 6.0 1 0 8 acs: increase 1189.39 5912.05358 5912.085 6.0 1 1 47 1214.96 5928.66182 5928.8101 6.0 1 1 20 acs: add 1236.55 5942.67122 5942.6665 6.0 1 1 7 acs: add 1323.87 5999.21815 5998.999 6.0 1 1 7 weak 1346.37 6013.75431 6013.678 6.0 1 1 6 1374.84 6032.13519 6032.127 6.0 1 1 170 1392.38 6043.44975 6043.223 6.0 1 1 67 1417.01 6059.32161 6059.373 6.0 1 1 33 1488.96 6105.60774 6105.635 6.0 1 1 19 1551.24 6145.55624 6145.441 6.0 1 1 18 1788.22 6296.64145 6296.872 6.0 1 1 13 1903.26 6369.42205 6369.575 6.0 1 1 9 1927.73 6384.85667 6384.717 6.0 1 1 33 1977.76 6416.35995 6416.307 6.0 1 1 164 2279.50 6604.76616 6604.853 6.0 1 1 24 2396.80 6677.24586 6677.282 6.0 1 1 434 2520.01 6752.89381 6752.834 6.0 1 1 331 2714.65 6871.33199 6871.289 6.0 1 1 316 2870.96 6965.44453 6965.431 6.0 1 1 56184 2979.59 7030.29339 7030.251 6.0 1 1 319 3041.70 7067.15476 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 55.68568801879882 3041.70361328125 6129.307935012247 953.6056304324456 -14.61606225291774 -1.098797878622188 0.003476008051023516 -0.04741762758053529 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,91] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,91] units Angstroms features 32 55.98 5162.22158 5162.285 6.0 1 1 23 94.06 5187.73508 5187.746 6.0 1 1 31 144.26 5221.35398 5221.271 6.0 1 1 17 371.95 5373.44683 5373.494 6.0 1 1 5 444.04 5421.44876 5421.352 6.0 1 1 8 556.07 5495.87444 5495.874 6.0 1 1 43 651.04 5558.78321 5558.702 6.0 1 1 55 723.49 5606.66072 5606.733 6.0 1 1 53 849.44 5689.64194 5689.6401 6.0 1 1 8 acs: add; not Ar 925.09 5739.31308 5739.52 6.0 1 1 16 1020.09 5801.51769 5802.08 6.0 1 0 8 acs: increase 1189.64 5912.0143 5912.085 6.0 1 1 47 1215.50 5928.80667 5928.8101 6.0 1 1 20 acs: add 1236.93 5942.71625 5942.6665 6.0 1 1 7 acs: add 1324.11 5999.15811 5998.999 6.0 1 1 7 weak 1346.64 6013.71476 6013.678 6.0 1 1 6 1375.13 6032.10793 6032.127 6.0 1 1 170 1392.66 6043.41317 6043.223 6.0 1 1 67 1417.36 6059.32728 6059.373 6.0 1 1 33 1489.15 6105.49458 6105.635 6.0 1 1 19 1551.47 6145.46529 6145.441 6.0 1 1 18 1788.94 6296.82661 6296.872 6.0 1 1 13 1903.86 6369.52601 6369.575 6.0 1 1 9 1928.17 6384.85344 6384.717 6.0 1 1 33 1978.09 6416.28298 6416.307 6.0 1 1 164 2279.91 6604.7392 6604.853 6.0 1 1 24 2397.25 6677.24923 6677.282 6.0 1 1 434 2520.41 6752.87959 6752.834 6.0 1 1 331 2715.03 6871.32245 6871.289 6.0 1 1 316 2871.36 6965.46007 6965.431 6.0 1 1 56184 2979.97 7030.29065 7030.251 6.0 1 1 319 3042.10 7067.15553 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 55.98208236694335 3042.098876953125 6129.296628222139 953.6029781573054 -14.61064108998295 -1.071129546962252 0.002564842463769606 -0.06487400969399946 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,86] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,86] units Angstroms features 32 56.35 5162.25395 5162.285 6.0 1 1 23 94.36 5187.73396 5187.746 6.0 1 1 31 144.54 5221.34502 5221.271 6.0 1 1 17 372.04 5373.32955 5373.494 6.0 1 1 5 444.34 5421.46879 5421.352 6.0 1 1 8 556.38 5495.89214 5495.874 6.0 1 1 43 651.45 5558.86224 5558.702 6.0 1 1 55 723.85 5606.69712 5606.733 6.0 1 1 53 849.66 5689.5699 5689.6401 6.0 1 1 8 acs: add; not Ar 925.47 5739.34606 5739.52 6.0 1 1 16 1020.36 5801.46725 5802.08 6.0 1 0 8 acs: increase 1190.17 5912.11573 5912.085 6.0 1 1 47 1215.94 5928.85173 5928.8101 6.0 1 1 20 acs: add 1237.11 5942.58429 5942.6665 6.0 1 1 7 acs: add 1324.38 5999.08222 5998.999 6.0 1 1 7 weak 1347.17 6013.80912 6013.678 6.0 1 1 6 1375.53 6032.1096 6032.127 6.0 1 1 170 1392.95 6043.34428 6043.223 6.0 1 1 67 1417.74 6059.31574 6059.373 6.0 1 1 33 1489.53 6105.48283 6105.635 6.0 1 1 19 1551.91 6145.48499 6145.441 6.0 1 1 18 1789.43 6296.87085 6296.872 6.0 1 1 13 1904.45 6369.62227 6369.575 6.0 1 1 9 1928.34 6384.68801 6384.717 6.0 1 1 33 1978.49 6416.25441 6416.307 6.0 1 1 164 2280.61 6604.87947 6604.853 6.0 1 1 24 2397.72 6677.23783 6677.282 6.0 1 1 434 2520.85 6752.84302 6752.834 6.0 1 1 331 2715.50 6871.31189 6871.289 6.0 1 1 316 2871.78 6965.43504 6965.431 6.0 1 1 56184 2980.33 7030.26399 7030.251 6.0 1 1 319 3042.54 7067.19766 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 56.35186767578124 3042.536376953125 6129.312064814192 953.5656743654531 -14.59135775925137 -1.042858889937572 0.005095496745497062 -0.05096280659941893 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,81] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,81] units Angstroms features 32 56.65 5162.20934 5162.285 6.0 1 1 23 94.68 5187.69744 5187.746 6.0 1 1 31 145.05 5221.43574 5221.271 6.0 1 1 17 372.48 5373.36797 5373.494 6.0 1 1 5 444.76 5421.48986 5421.352 6.0 1 1 8 556.69 5495.84854 5495.874 6.0 1 1 43 651.77 5558.82385 5558.702 6.0 1 1 55 724.26 5606.72508 5606.733 6.0 1 1 53 849.88 5689.48601 5689.6401 6.0 1 1 8 acs: add; not Ar 925.86 5739.3759 5739.52 6.0 1 1 16 1020.51 5801.34834 5802.08 6.0 1 0 8 acs: increase 1190.55 5912.1593 5912.085 6.0 1 1 47 1216.08 5928.73829 5928.8101 6.0 1 1 20 acs: add 1237.55 5942.67186 5942.6665 6.0 1 1 7 acs: add 1324.64 5999.05765 5998.999 6.0 1 1 7 weak 1346.61 6013.25447 6013.678 6.0 1 0 6 1375.91 6032.16491 6032.127 6.0 1 1 170 1393.23 6043.33812 6043.223 6.0 1 1 67 1418.15 6059.39357 6059.373 6.0 1 1 33 1490.01 6105.60677 6105.635 6.0 1 1 19 1552.31 6145.56494 6145.441 6.0 1 1 18 1789.31 6296.61466 6296.872 6.0 1 1 13 1904.95 6369.76246 6369.575 6.0 1 1 9 1928.50 6384.61196 6384.717 6.0 1 1 33 1978.83 6416.29371 6416.307 6.0 1 1 164 2280.84 6604.83606 6604.853 6.0 1 1 24 2398.08 6677.27033 6677.282 6.0 1 1 434 2521.19 6752.84761 6752.834 6.0 1 1 331 2715.87 6871.31672 6871.289 6.0 1 1 316 2872.21 6965.46057 6965.431 6.0 1 1 56184 2980.68 7030.23126 7030.251 6.0 1 1 319 3042.96 7067.20523 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 56.64939117431641 3042.964599609375 6129.320051793067 953.6083783764703 -14.62564027248045 -1.059019611566877 0.01287363897673696 -0.05141141364514946 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,76] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,76] units Angstroms features 32 56.94 5162.28865 5162.285 6.0 1 1 23 94.73 5187.58552 5187.746 6.0 1 1 31 145.30 5221.40991 5221.271 6.0 1 1 17 373.19 5373.55887 5373.494 6.0 1 1 5 445.16 5421.46846 5421.352 6.0 1 1 8 557.01 5495.77106 5495.874 6.0 1 1 43 652.06 5558.74133 5558.702 6.0 1 1 55 724.59 5606.67997 5606.733 6.0 1 1 53 850.45 5689.60686 5689.6401 6.0 1 1 8 acs: add; not Ar 926.17 5739.33676 5739.52 6.0 1 1 16 1020.57 5801.14972 5802.08 6.0 1 0 8 acs: increase 1190.90 5912.15847 5912.085 6.0 1 1 47 1216.54 5928.81201 5928.8101 6.0 1 1 20 acs: add 1237.90 5942.66551 5942.6665 6.0 1 1 7 acs: add 1325.74 5999.53845 5998.999 6.0 1 0 7 weak 1347.00 6013.27353 6013.678 6.0 1 0 6 1376.25 6032.14665 6032.127 6.0 1 1 170 1393.53 6043.29166 6043.223 6.0 1 1 67 1418.59 6059.43681 6059.373 6.0 1 1 33 1490.37 6105.59133 6105.635 6.0 1 1 19 1552.74 6145.58572 6145.441 6.0 1 1 18 1789.89 6296.70472 6296.872 6.0 1 1 13 1905.33 6369.7151 6369.575 6.0 1 1 9 1929.05 6384.66927 6384.717 6.0 1 1 33 1979.18 6416.22599 6416.307 6.0 1 1 164 2281.24 6604.8043 6604.853 6.0 1 1 24 2398.47 6677.24434 6677.282 6.0 1 1 434 2521.67 6752.89731 6752.834 6.0 1 1 331 2716.21 6871.30034 6871.289 6.0 1 1 316 2872.62 6965.48439 6965.431 6.0 1 1 56184 2981.11 7030.24066 7030.251 6.0 1 1 319 3043.39 7067.1847 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 56.93687438964843 3043.38623046875 6129.302004168615 953.6163215296463 -14.59832271711801 -1.077957010121877 0.03299771739585289 -0.09033951652726711 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,71] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,71] units Angstroms features 32 57.24 5162.26151 5162.285 6.0 1 1 23 95.11 5187.60436 5187.746 6.0 1 1 31 145.64 5221.4159 5221.271 6.0 1 1 17 373.67 5373.64261 5373.494 6.0 1 1 5 445.42 5421.40231 5421.352 6.0 1 1 8 557.38 5495.76919 5495.874 6.0 1 1 43 652.44 5558.73584 5558.702 6.0 1 1 55 724.98 5606.66722 5606.733 6.0 1 1 53 850.79 5689.55872 5689.6401 6.0 1 1 8 acs: add; not Ar 926.51 5739.27927 5739.52 6.0 1 1 16 1020.65 5800.92356 5802.08 6.0 1 0 8 acs: increase 1191.26 5912.10962 5912.085 6.0 1 1 47 1216.97 5928.80793 5928.8101 6.0 1 1 20 acs: add 1238.68 5942.88781 5942.6665 6.0 1 1 7 acs: add 1325.90 5999.35812 5998.999 6.0 1 1 7 weak 1348.01 6013.63875 6013.678 6.0 1 1 6 1376.58 6032.07912 6032.127 6.0 1 1 170 1393.89 6043.24029 6043.223 6.0 1 1 67 1418.91 6059.36493 6059.373 6.0 1 1 33 1490.64 6105.48484 6105.635 6.0 1 1 19 1553.05 6145.50989 6145.441 6.0 1 1 18 1790.19 6296.62326 6296.872 6.0 1 1 13 1905.66 6369.65005 6369.575 6.0 1 1 9 1929.52 6384.68963 6384.717 6.0 1 1 33 1979.66 6416.25189 6416.307 6.0 1 1 164 2282.07 6605.02452 6604.853 6.0 1 1 24 2398.86 6677.18282 6677.282 6.0 1 1 434 2522.11 6752.85948 6752.834 6.0 1 1 331 2716.70 6871.28249 6871.289 6.0 1 1 316 2873.03 6965.43509 6965.431 6.0 1 1 56184 2981.61 7030.26906 7030.251 6.0 1 1 319 3043.82 7067.19717 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 57.24444198608398 3043.816650390626 6129.268318353922 953.6150883575634 -14.58195097860088 -1.072765202323758 0.04297150958907302 -0.07449614653613428 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,66] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,66] units Angstroms features 32 57.44 5162.21242 5162.285 6.0 1 1 23 95.51 5187.69014 5187.746 6.0 1 1 31 145.88 5221.38432 5221.271 6.0 1 1 17 373.89 5373.5787 5373.494 6.0 1 1 5 445.82 5421.46153 5421.352 6.0 1 1 8 557.77 5495.80852 5495.874 6.0 1 1 43 652.72 5558.70448 5558.702 6.0 1 1 55 725.29 5606.66196 5606.733 6.0 1 1 53 851.07 5689.52489 5689.6401 6.0 1 1 8 acs: add; not Ar 926.93 5739.34446 5739.52 6.0 1 1 16 1020.74 5800.77053 5802.08 6.0 1 0 8 acs: increase 1191.65 5912.15612 5912.085 6.0 1 1 47 1217.29 5928.80395 5928.8101 6.0 1 1 20 acs: add 1238.80 5942.76016 5942.6665 6.0 1 1 7 acs: add 1325.54 5998.91839 5998.999 6.0 1 1 7 weak 1348.80 6013.94788 6013.678 6.0 1 1 6 1377.00 6032.14241 6032.127 6.0 1 1 170 1394.32 6043.31381 6043.223 6.0 1 1 67 1419.22 6059.35657 6059.373 6.0 1 1 33 1491.13 6105.59118 6105.635 6.0 1 1 19 1553.35 6145.49072 6145.441 6.0 1 1 18 1790.63 6296.69293 6296.872 6.0 1 1 13 1905.94 6369.61161 6369.575 6.0 1 1 9 1929.68 6384.57661 6384.717 6.0 1 1 33 1980.06 6416.27999 6416.307 6.0 1 1 164 2282.44 6605.01412 6604.853 6.0 1 1 24 2399.31 6677.21299 6677.282 6.0 1 1 434 2522.54 6752.8682 6752.834 6.0 1 1 331 2717.11 6871.27357 6871.289 6.0 1 1 316 2873.46 6965.42409 6965.431 6.0 1 1 56184 2982.11 7030.29705 7030.251 6.0 1 1 319 3044.24 7067.17992 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 57.44147872924804 3044.240966796875 6129.238179568108 953.6375340553954 -14.59433235582817 -1.079489441851761 0.05232496433925938 -0.07429418166785974 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,61] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,61] units Angstroms features 32 57.69 5162.23798 5162.285 6.0 1 1 23 95.74 5187.68833 5187.746 6.0 1 1 31 146.10 5221.36078 5221.271 6.0 1 1 17 374.09 5373.52691 5373.494 6.0 1 1 5 446.14 5421.48044 5421.352 6.0 1 1 8 558.06 5495.82392 5495.874 6.0 1 1 43 652.99 5558.7059 5558.702 6.0 1 1 55 725.55 5606.6591 5606.733 6.0 1 1 53 851.47 5689.6217 5689.6401 6.0 1 1 8 acs: add; not Ar 927.19 5739.3417 5739.52 6.0 1 1 16 1020.83 5800.6588 5802.08 6.0 1 0 8 acs: increase 1192.01 5912.20216 5912.085 6.0 1 1 47 1217.62 5928.82863 5928.8101 6.0 1 1 20 acs: add 1238.90 5942.63808 5942.6665 6.0 1 1 7 acs: add 1325.78 5998.87055 5998.999 6.0 1 1 7 weak 1348.94 6013.83238 6013.678 6.0 1 1 6 1377.39 6032.19257 6032.127 6.0 1 1 170 1394.75 6043.37927 6043.223 6.0 1 1 67 1419.49 6059.31511 6059.373 6.0 1 1 33 1491.42 6105.55823 6105.635 6.0 1 1 19 1553.60 6145.42497 6145.441 6.0 1 1 18 1791.28 6296.85177 6296.872 6.0 1 1 13 1906.44 6369.66551 6369.575 6.0 1 1 9 1930.28 6384.69211 6384.717 6.0 1 1 33 1980.48 6416.28494 6416.307 6.0 1 1 164 2282.42 6604.76568 6604.853 6.0 1 1 24 2399.66 6677.20743 6677.282 6.0 1 1 434 2522.90 6752.88496 6752.834 6.0 1 1 331 2717.53 6871.33451 6871.289 6.0 1 1 316 2873.88 6965.46925 6965.431 6.0 1 1 56184 2982.51 7030.29603 7030.251 6.0 1 1 319 3044.65 7067.1428 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 57.69021224975585 3044.64892578125 6129.240004908337 953.6372875529707 -14.58764473816193 -1.080648528305694 0.03802528786468002 -0.1042289961317151 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,56] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,56] units Angstroms features 32 58.16 5162.2447 5162.285 6.0 1 1 23 96.17 5187.69413 5187.746 6.0 1 1 31 146.43 5221.32869 5221.271 6.0 1 1 17 374.52 5373.61319 5373.494 6.0 1 1 5 446.33 5421.41348 5421.352 6.0 1 1 8 558.35 5495.80737 5495.874 6.0 1 1 43 653.33 5558.71622 5558.702 6.0 1 1 55 725.85 5606.63366 5606.733 6.0 1 1 53 852.03 5689.74622 5689.6401 6.0 1 1 8 acs: add; not Ar 927.49 5739.29397 5739.52 6.0 1 1 16 1020.83 5800.39751 5802.08 6.0 1 0 8 acs: increase 1192.34 5912.15547 5912.085 6.0 1 1 47 1217.93 5928.76611 5928.8101 6.0 1 1 20 acs: add 1239.15 5942.53332 5942.6665 6.0 1 1 7 acs: add 1326.30 5998.947 5998.999 6.0 1 1 7 weak 1349.25 6013.7705 6013.678 6.0 1 1 6 1377.83 6032.21342 6032.127 6.0 1 1 170 1395.23 6043.43553 6043.223 6.0 1 1 67 1420.01 6059.39662 6059.373 6.0 1 1 33 1491.85 6105.58637 6105.635 6.0 1 1 19 1553.99 6145.43062 6145.441 6.0 1 1 18 1791.61 6296.83826 6296.872 6.0 1 1 13 1906.63 6369.57634 6369.575 6.0 1 1 9 1930.69 6384.74644 6384.717 6.0 1 1 33 1980.87 6416.33008 6416.307 6.0 1 1 164 2282.57 6604.66151 6604.853 6.0 1 1 24 2400.07 6677.25668 6677.282 6.0 1 1 434 2523.29 6752.90128 6752.834 6.0 1 1 331 2717.95 6871.34185 6871.289 6.0 1 1 316 2874.33 6965.47994 6965.431 6.0 1 1 56184 2982.92 7030.27938 7030.251 6.0 1 1 319 3045.08 7067.14535 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 58.16038513183594 3045.080810546875 6129.288652907144 953.609973593976 -14.60761935638719 -1.08259843421629 0.01399305528099118 -0.07705220800045432 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,51] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,51] units Angstroms features 32 58.52 5162.25696 5162.285 6.0 1 1 23 96.47 5187.69955 5187.746 6.0 1 1 31 146.67 5221.3224 5221.271 6.0 1 1 17 375.40 5374.06088 5373.494 6.0 1 0 5 446.62 5421.45818 5421.352 6.0 1 1 8 558.72 5495.88072 5495.874 6.0 1 1 43 653.79 5558.81366 5558.702 6.0 1 1 55 726.23 5606.65411 5606.733 6.0 1 1 53 852.14 5689.56055 5689.6401 6.0 1 1 8 acs: add; not Ar 927.94 5739.31079 5739.52 6.0 1 1 16 1020.83 5800.11008 5802.08 6.0 1 0 8 acs: increase 1192.91 5912.229 5912.085 6.0 1 1 47 1218.29 5928.71088 5928.8101 6.0 1 1 20 acs: add 1239.57 5942.51162 5942.6665 6.0 1 1 7 acs: add 1326.85 5999.01787 5998.999 6.0 1 1 7 weak 1350.46 6014.27039 6013.678 6.0 1 0 6 1378.18 6032.16501 6032.127 6.0 1 1 170 1395.64 6043.42234 6043.223 6.0 1 1 67 1420.54 6059.46084 6059.373 6.0 1 1 33 1492.35 6105.64214 6105.635 6.0 1 1 19 1554.60 6145.56593 6145.441 6.0 1 1 18 1791.75 6296.70955 6296.872 6.0 1 1 13 1906.89 6369.53324 6369.575 6.0 1 1 9 1930.98 6384.72209 6384.717 6.0 1 1 33 1981.22 6416.34484 6416.307 6.0 1 1 164 2283.03 6604.71154 6604.853 6.0 1 1 24 2400.51 6677.26383 6677.282 6.0 1 1 434 2523.82 6752.93184 6752.834 6.0 1 1 331 2718.49 6871.33494 6871.289 6.0 1 1 316 2874.78 6965.41614 6965.431 6.0 1 1 56184 2983.47 7030.30353 7030.251 6.0 1 1 319 3045.54 7067.15762 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 58.51540374755859 3045.5380859375 6129.303305289287 953.5629041849873 -14.60524240794812 -1.091795428849086 0.009226208123203514 -0.02077866428137096 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,46] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,46] units Angstroms features 32 58.88 5162.25526 5162.285 6.0 1 1 23 96.75 5187.63602 5187.746 6.0 1 1 31 147.18 5221.41111 5221.271 6.0 1 1 17 375.79 5374.04879 5373.494 6.0 1 0 5 447.08 5421.47967 5421.352 6.0 1 1 8 559.04 5495.80219 5495.874 6.0 1 1 43 654.18 5558.77926 5558.702 6.0 1 1 55 726.70 5606.66805 5606.733 6.0 1 1 53 852.63 5689.58504 5689.6401 6.0 1 1 8 acs: add; not Ar 928.41 5739.32323 5739.52 6.0 1 1 16 1020.84 5799.81825 5802.08 6.0 1 0 8 acs: increase 1193.37 5912.24007 5912.085 6.0 1 1 47 1218.83 5928.76903 5928.8101 6.0 1 1 20 acs: add 1240.21 5942.63847 5942.6665 6.0 1 1 7 acs: add 1327.36 5999.06087 5998.999 6.0 1 1 7 weak 1350.74 6014.165 6013.678 6.0 1 0 6 1378.58 6032.13592 6032.127 6.0 1 1 170 1395.84 6043.26619 6043.223 6.0 1 1 67 1420.82 6059.36296 6059.373 6.0 1 1 33 1492.74 6105.61716 6105.635 6.0 1 1 19 1555.07 6145.59139 6145.441 6.0 1 1 18 1792.43 6296.88217 6296.872 6.0 1 1 13 1907.21 6369.47832 6369.575 6.0 1 1 9 1931.24 6384.6268 6384.717 6.0 1 1 33 1981.59 6416.32054 6416.307 6.0 1 1 164 2283.62 6604.81469 6604.853 6.0 1 1 24 2400.96 6677.27321 6677.282 6.0 1 1 434 2524.20 6752.89287 6752.834 6.0 1 1 331 2718.93 6871.32603 6871.289 6.0 1 1 316 2875.24 6965.41429 6965.431 6.0 1 1 56184 2983.86 7030.27072 7030.251 6.0 1 1 319 3046.03 7067.19017 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 58.87652206420898 3046.032470703125 6129.303108775013 953.5896025690171 -14.59743172171126 -1.107209027035702 0.01703631710823637 -0.01493542652789724 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,41] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,41] units Angstroms features 32 59.51 5162.36487 5162.285 6.0 1 1 23 97.08 5187.5532 5187.746 6.0 1 1 31 147.51 5221.33106 5221.271 6.0 1 1 17 375.57 5373.64721 5373.494 6.0 1 1 5 447.26 5421.35306 5421.352 6.0 1 1 8 559.44 5495.83449 5495.874 6.0 1 1 43 654.51 5558.7754 5558.702 6.0 1 1 55 727.06 5606.68311 5606.733 6.0 1 1 53 852.98 5689.59503 5689.6401 6.0 1 1 8 acs: add; not Ar 928.73 5739.30841 5739.52 6.0 1 1 16 1020.69 5799.49733 5802.08 6.0 1 0 8 acs: increase 1193.73 5912.23277 5912.085 6.0 1 1 47 1219.16 5928.74163 5928.8101 6.0 1 1 20 acs: add 1240.22 5942.40242 5942.6665 6.0 1 1 7 acs: add 1328.07 5999.26668 5998.999 6.0 1 1 7 weak 1350.68 6013.87471 6013.678 6.0 1 1 6 1378.99 6032.13979 6032.127 6.0 1 1 170 1396.26 6043.27702 6043.223 6.0 1 1 67 1421.16 6059.31774 6059.373 6.0 1 1 33 1493.17 6105.62245 6105.635 6.0 1 1 19 1555.30 6145.46297 6145.441 6.0 1 1 18 1792.91 6296.88705 6296.872 6.0 1 1 13 1907.71 6369.4858 6369.575 6.0 1 1 9 1931.69 6384.60697 6384.717 6.0 1 1 33 1982.05 6416.29967 6416.307 6.0 1 1 164 2284.22 6604.88355 6604.853 6.0 1 1 24 2401.43 6677.26891 6677.282 6.0 1 1 434 2524.65 6752.88583 6752.834 6.0 1 1 331 2719.34 6871.30215 6871.289 6.0 1 1 316 2875.65 6965.39773 6965.431 6.0 1 1 56184 2984.36 7030.29786 7030.251 6.0 1 1 319 3046.49 7067.18418 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 59.51237106323242 3046.486328125 6129.379265446347 953.5064700617906 -14.6075148489605 -1.073160814873675 0.002773623615687204 -0.0236550854373496 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,36] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,36] units Angstroms features 32 59.64 5162.29856 5162.285 6.0 1 1 23 97.53 5187.66849 5187.746 6.0 1 1 31 147.81 5221.31679 5221.271 6.0 1 1 17 375.96 5373.61928 5373.494 6.0 1 1 5 447.62 5421.30612 5421.352 6.0 1 1 8 559.79 5495.78074 5495.874 6.0 1 1 43 654.99 5558.81517 5558.702 6.0 1 1 55 727.45 5606.676 5606.733 6.0 1 1 53 853.40 5689.61974 5689.6401 6.0 1 1 8 acs: add; not Ar 929.23 5739.39406 5739.52 6.0 1 1 16 1020.69 5799.26743 5802.08 6.0 1 0 8 acs: increase 1193.98 5912.17881 5912.085 6.0 1 1 47 1219.66 5928.84869 5928.8101 6.0 1 1 20 acs: add 1240.25 5942.20481 5942.6665 6.0 1 0 7 acs: add 1328.09 5999.06109 5998.999 6.0 1 1 7 weak 1350.43 6013.49123 6013.678 6.0 1 1 6 1379.28 6032.10863 6032.127 6.0 1 1 170 1396.81 6043.40704 6043.223 6.0 1 1 67 1421.76 6059.48157 6059.373 6.0 1 1 33 1493.40 6105.53795 6105.635 6.0 1 1 19 1555.67 6145.46736 6145.441 6.0 1 1 18 1793.22 6296.81697 6296.872 6.0 1 1 13 1908.12 6369.46755 6369.575 6.0 1 1 9 1932.37 6384.75073 6384.717 6.0 1 1 33 1982.44 6416.25176 6416.307 6.0 1 1 164 2284.96 6605.02792 6604.853 6.0 1 1 24 2401.83 6677.20174 6677.282 6.0 1 1 434 2525.11 6752.85498 6752.834 6.0 1 1 331 2719.77 6871.27763 6871.289 6.0 1 1 316 2876.10 6965.40364 6965.431 6.0 1 1 56184 2984.72 7030.26807 7030.251 6.0 1 1 319 3046.94 7067.21889 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 59.63988876342772 3046.940185546875 6129.305921034375 953.5743784657524 -14.5909030963777 -1.067334624710143 0.04370565322514076 -0.04688087394499543 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,31] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,31] units Angstroms features 32 59.81 5162.2397 5162.285 6.0 1 1 23 97.88 5187.72295 5187.746 6.0 1 1 31 148.14 5221.34639 5221.271 6.0 1 1 17 376.24 5373.57699 5373.494 6.0 1 1 5 447.93 5421.27262 5421.352 6.0 1 1 8 560.23 5495.83038 5495.874 6.0 1 1 43 655.34 5558.79643 5558.702 6.0 1 1 55 727.89 5606.71991 5606.733 6.0 1 1 53 853.82 5689.65317 5689.6401 6.0 1 1 8 acs: add; not Ar 929.62 5739.41165 5739.52 6.0 1 1 16 1020.70 5799.03833 5802.08 6.0 1 0 8 acs: increase 1194.30 5912.15608 5912.085 6.0 1 1 47 1219.85 5928.74437 5928.8101 6.0 1 1 20 acs: add 1240.90 5942.39754 5942.6665 6.0 1 1 7 acs: add 1328.43 5999.0625 5998.999 6.0 1 1 7 weak 1350.33 6013.21073 6013.678 6.0 1 0 6 1379.68 6032.1489 6032.127 6.0 1 1 170 1397.15 6043.41063 6043.223 6.0 1 1 67 1422.30 6059.6166 6059.373 6.0 1 1 33 1493.66 6105.49465 6105.635 6.0 1 1 19 1556.09 6145.52605 6145.441 6.0 1 1 18 1793.54 6296.81197 6296.872 6.0 1 1 13 1908.35 6369.40484 6369.575 6.0 1 1 9 1932.62 6384.69708 6384.717 6.0 1 1 33 1982.91 6416.34161 6416.307 6.0 1 1 164 2285.17 6604.93604 6604.853 6.0 1 1 24 2402.26 6677.24222 6677.282 6.0 1 1 434 2525.48 6752.85333 6752.834 6.0 1 1 331 2720.22 6871.30875 6871.289 6.0 1 1 316 2876.55 6965.43698 6965.431 6.0 1 1 56184 2984.99 7030.19884 7030.251 6.0 1 1 319 3047.36 7067.24654 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 59.8078384399414 3047.363769531249 6129.271174985209 953.6326760198488 -14.58870348699247 -1.083815244011733 0.06064563145807643 -0.04543945903297594 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,26] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,26] units Angstroms features 32 60.27 5162.2845 5162.285 6.0 1 1 23 98.17 5187.66894 5187.746 6.0 1 1 31 148.51 5221.35507 5221.271 6.0 1 1 17 376.38 5373.4573 5373.494 6.0 1 1 5 448.41 5421.37761 5421.352 6.0 1 1 8 560.69 5495.9075 5495.874 6.0 1 1 43 655.71 5558.80676 5558.702 6.0 1 1 55 728.26 5606.71756 5606.733 6.0 1 1 53 854.10 5689.57503 5689.6401 6.0 1 1 8 acs: add; not Ar 929.96 5739.36594 5739.52 6.0 1 1 16 1020.57 5798.6734 5802.08 6.0 1 0 8 acs: increase 1194.72 5912.14882 5912.085 6.0 1 1 47 1220.23 5928.70973 5928.8101 6.0 1 1 20 acs: add 1241.56 5942.54607 5942.6665 6.0 1 1 7 acs: add 1329.30 5999.34679 5998.999 6.0 1 1 7 weak 1351.08 6013.41793 6013.678 6.0 1 1 6 1380.14 6032.17254 6032.127 6.0 1 1 170 1397.54 6043.38564 6043.223 6.0 1 1 67 1422.61 6059.53892 6059.373 6.0 1 1 33 1494.02 6105.45718 6105.635 6.0 1 1 19 1556.42 6145.47093 6145.441 6.0 1 1 18 1793.96 6296.84444 6296.872 6.0 1 1 13 1909.20 6369.71523 6369.575 6.0 1 1 9 1932.65 6384.49833 6384.717 6.0 1 1 33 1983.36 6416.40958 6416.307 6.0 1 1 164 2285.10 6604.69379 6604.853 6.0 1 1 24 2402.70 6677.30725 6677.282 6.0 1 1 434 2525.92 6752.90745 6752.834 6.0 1 1 331 2720.62 6871.31083 6871.289 6.0 1 1 316 2877.00 6965.43652 6965.431 6.0 1 1 56184 2985.56 7030.24548 7030.251 6.0 1 1 319 3047.81 7067.20404 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 60.27428436279296 3047.806152343749 6129.3129385229 953.5965649847876 -14.60249732458556 -1.109228921412331 0.0338263547430475 -0.02756759490221258 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,21] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,21] units Angstroms features 32 60.62 5162.22778 5162.285 6.0 1 1 23 98.67 5187.69476 5187.746 6.0 1 1 31 148.89 5221.28439 5221.271 6.0 1 1 17 377.60 5373.90118 5373.494 6.0 1 1 5 448.83 5421.29853 5421.352 6.0 1 1 8 560.98 5495.75045 5495.874 6.0 1 1 43 656.08 5558.71917 5558.702 6.0 1 1 55 728.54 5606.58555 5606.733 6.0 1 1 53 854.51 5689.54768 5689.6401 6.0 1 1 8 acs: add; not Ar 930.29 5739.29906 5739.52 6.0 1 1 16 1019.84 5797.92986 5802.08 6.0 1 0 8 acs: increase 1195.24 5912.23364 5912.085 6.0 1 1 47 1220.75 5928.80036 5928.8101 6.0 1 1 20 acs: add 1242.17 5942.69388 5942.6665 6.0 1 1 7 acs: add 1329.56 5999.26516 5998.999 6.0 1 1 7 weak 1351.84 6013.66023 6013.678 6.0 1 1 6 1380.60 6032.21907 6032.127 6.0 1 1 170 1397.83 6043.33281 6043.223 6.0 1 1 67 1422.77 6059.39697 6059.373 6.0 1 1 33 1494.26 6105.36428 6105.635 6.0 1 1 19 1556.87 6145.51167 6145.441 6.0 1 1 18 1794.14 6296.69928 6296.872 6.0 1 1 13 1909.67 6369.74414 6369.575 6.0 1 1 9 1933.22 6384.58826 6384.717 6.0 1 1 33 1983.70 6416.34974 6416.307 6.0 1 1 164 2285.56 6604.69616 6604.853 6.0 1 1 24 2403.10 6677.26852 6677.282 6.0 1 1 434 2526.42 6752.93097 6752.834 6.0 1 1 331 2721.14 6871.34943 6871.289 6.0 1 1 316 2877.47 6965.4442 6965.431 6.0 1 1 56184 2986.01 7030.23057 7030.251 6.0 1 1 319 3048.30 7067.19581 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 60.61820602416991 3048.2958984375 6129.282630532573 953.6513118548388 -14.62797577153556 -1.116873535044012 0.0571411309742036 -0.05042732176804438 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,16] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,16] units Angstroms features 32 60.91 5162.22023 5162.285 6.0 1 1 23 99.01 5187.72213 5187.746 6.0 1 1 31 149.22 5221.31742 5221.271 6.0 1 1 17 377.68 5373.79987 5373.494 6.0 1 1 5 448.96 5421.23271 5421.352 6.0 1 1 8 561.19 5495.73994 5495.874 6.0 1 1 43 656.36 5558.75066 5558.702 6.0 1 1 55 728.90 5606.65771 5606.733 6.0 1 1 53 854.93 5689.64867 5689.6401 6.0 1 1 8 acs: add; not Ar 930.65 5739.35193 5739.52 6.0 1 1 16 1019.28 5797.36301 5802.08 6.0 1 0 8 acs: increase 1195.72 5912.31539 5912.085 6.0 1 1 47 1221.11 5928.79137 5928.8101 6.0 1 1 20 acs: add 1242.19 5942.46514 5942.6665 6.0 1 1 7 acs: add 1329.95 5999.26256 5998.999 6.0 1 1 7 weak 1353.81 6014.67432 6013.678 6.0 1 0 6 1380.89 6032.14123 6032.127 6.0 1 1 170 1398.24 6043.32718 6043.223 6.0 1 1 67 1423.14 6059.36245 6059.373 6.0 1 1 33 1494.79 6105.42266 6105.635 6.0 1 1 19 1557.38 6145.54741 6145.441 6.0 1 1 18 1794.63 6296.69118 6296.872 6.0 1 1 13 1910.50 6369.93986 6369.575 6.0 1 1 9 1933.55 6384.47057 6384.717 6.0 1 1 33 1984.06 6416.24869 6416.307 6.0 1 1 164 2286.37 6604.88584 6604.853 6.0 1 1 24 2403.52 6677.2264 6677.282 6.0 1 1 434 2526.75 6752.84814 6752.834 6.0 1 1 331 2721.52 6871.31717 6871.289 6.0 1 1 316 2877.92 6965.45778 6965.431 6.0 1 1 56184 2986.49 7030.25546 7030.251 6.0 1 1 319 3048.73 7067.18798 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 60.91300582885741 3048.7294921875 6129.274381158803 953.6225599001229 -14.6015187025973 -1.08024082634712 0.03123775803133142 -0.05844409580616907 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,11] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,11] units Angstroms features 32 61.13 5162.22269 5162.285 6.0 1 1 23 99.20 5187.7026 5187.746 6.0 1 1 31 149.59 5221.41342 5221.271 6.0 1 1 17 378.57 5374.20317 5373.494 6.0 1 0 5 449.51 5421.39301 5421.352 6.0 1 1 8 561.53 5495.74854 5495.874 6.0 1 1 43 656.73 5558.76158 5558.702 6.0 1 1 55 729.25 5606.651 5606.733 6.0 1 1 53 855.45 5689.73619 5689.6401 6.0 1 1 8 acs: add; not Ar 931.17 5739.42889 5739.52 6.0 1 1 16 1020.35 5797.79213 5802.08 6.0 1 0 8 acs: increase 1195.99 5912.21589 5912.085 6.0 1 1 47 1221.48 5928.75796 5928.8101 6.0 1 1 20 acs: add 1242.96 5942.68996 5942.6665 6.0 1 1 7 acs: add 1330.04 5999.04748 5998.999 6.0 1 1 7 weak 1353.91 6014.46055 6013.678 6.0 1 0 6 1381.27 6032.11586 6032.127 6.0 1 1 170 1398.71 6043.35742 6043.223 6.0 1 1 67 1423.61 6059.39395 6059.373 6.0 1 1 33 1495.06 6105.32483 6105.635 6.0 1 1 19 1557.73 6145.4996 6145.441 6.0 1 1 18 1795.06 6296.69796 6296.872 6.0 1 1 13 1910.72 6369.81904 6369.575 6.0 1 1 9 1934.48 6384.78999 6384.717 6.0 1 1 33 1984.44 6416.22474 6416.307 6.0 1 1 164 2286.73 6604.84258 6604.853 6.0 1 1 24 2404.01 6677.25942 6677.282 6.0 1 1 434 2527.10 6752.7861 6752.834 6.0 1 1 331 2722.00 6871.32445 6871.289 6.0 1 1 316 2878.35 6965.42963 6965.431 6.0 1 1 56184 2987.05 7030.31115 7030.251 6.0 1 1 319 3049.16 7067.16577 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 61.13092803955078 3049.1552734375 6129.234836825275 953.6179146636929 -14.57387743613351 -1.096490952787877 0.03327185503418912 -0.04988646697085535 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,6] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,6] units Angstroms features 32 61.42 5162.2144 5162.285 6.0 1 1 23 99.47 5187.68264 5187.746 6.0 1 1 31 149.91 5221.43049 5221.271 6.0 1 1 17 377.56 5373.33474 5373.494 6.0 1 1 5 450.19 5421.64571 5421.352 6.0 1 1 8 561.93 5495.80449 5495.874 6.0 1 1 43 656.99 5558.7175 5558.702 6.0 1 1 55 729.69 5606.70976 5606.733 6.0 1 1 53 855.59 5689.58391 5689.6401 6.0 1 1 8 acs: add; not Ar 931.36 5739.29813 5739.52 6.0 1 1 16 1020.29 5797.49149 5802.08 6.0 1 0 8 acs: increase 1196.27 5912.11247 5912.085 6.0 1 1 47 1221.86 5928.7217 5928.8101 6.0 1 1 20 acs: add 1243.51 5942.75854 5942.6665 6.0 1 1 7 acs: add 1330.65 5999.14096 5998.999 6.0 1 1 7 weak 1353.45 6013.86387 6013.678 6.0 1 1 6 1381.78 6032.14173 6032.127 6.0 1 1 170 1399.01 6043.245 6043.223 6.0 1 1 67 1424.14 6059.42706 6059.373 6.0 1 1 33 1495.74 6105.45434 6105.635 6.0 1 1 19 1558.07 6145.40632 6145.441 6.0 1 1 18 1795.73 6296.81539 6296.872 6.0 1 1 13 1910.78 6369.56256 6369.575 6.0 1 1 9 1934.95 6384.79739 6384.717 6.0 1 1 33 1985.04 6416.31335 6416.307 6.0 1 1 164 2286.97 6604.73938 6604.853 6.0 1 1 24 2404.40 6677.26196 6677.282 6.0 1 1 434 2527.61 6752.86746 6752.834 6.0 1 1 331 2722.39 6871.32976 6871.289 6.0 1 1 316 2878.82 6965.45541 6965.431 6.0 1 1 56184 2987.52 7030.29423 7030.251 6.0 1 1 319 3049.68 7067.15304 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 61.42322540283202 3049.677490234375 6129.241707681959 953.6371930070087 -14.55582145750612 -1.111949129822832 -0.002163441548706441 -0.05592272183911751 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1] units Angstroms features 32 61.76 5162.24158 5162.285 6.0 1 1 23 99.60 5187.6167 5187.746 6.0 1 1 31 150.21 5221.52034 5221.271 6.0 1 1 17 377.18 5373.07053 5373.494 6.0 1 1 5 450.36 5421.74972 5421.352 6.0 1 1 8 562.19 5495.94618 5495.874 6.0 1 1 43 657.10 5558.7298 5558.702 6.0 1 1 55 730.02 5606.84758 5606.733 6.0 1 1 53 855.58 5689.45191 5689.6401 6.0 1 1 8 acs: add; not Ar 931.45 5739.21091 5739.52 6.0 1 1 16 1020.46 5797.42617 5802.08 6.0 1 0 8 acs: increase 1196.47 5912.031 5912.085 6.0 1 1 47 1222.04 5928.62411 5928.8101 6.0 1 1 20 acs: add 1244.06 5942.89961 5942.6665 6.0 1 1 7 acs: add 1331.08 5999.19708 5998.999 6.0 1 1 7 weak 1354.20 6014.12783 6013.678 6.0 1 1 6 1382.03 6032.07698 6032.127 6.0 1 1 170 1399.09 6043.072 6043.223 6.0 1 1 67 1424.28 6059.29668 6059.373 6.0 1 1 33 1496.36 6105.62667 6105.635 6.0 1 1 19 1558.30 6145.34133 6145.441 6.0 1 1 18 1796.22 6296.94237 6296.872 6.0 1 1 13 1910.78 6369.39461 6369.575 6.0 1 1 9 1935.18 6384.78224 6384.717 6.0 1 1 33 1985.43 6416.4064 6416.307 6.0 1 1 164 2287.06 6604.67779 6604.853 6.0 1 1 24 2404.54 6677.23382 6677.282 6.0 1 1 434 2527.97 6752.97422 6752.834 6.0 1 1 331 2722.55 6871.285 6871.289 6.0 1 1 316 2879.11 6965.46664 6965.431 6.0 1 1 56184 2987.79 7030.27898 7030.251 6.0 1 1 319 3050.01 7067.1631 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 61.7647361755371 3050.005615234375 6129.316404766578 953.5866682908711 -14.54563845219692 -1.107272615029836 -0.06842384947131663 -0.01863438713575871 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,931] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,931] units Angstroms features 32 28.29 5162.32554 5162.285 6.0 1 1 23 65.99 5187.63983 5187.746 6.0 1 1 31 116.20 5221.33305 5221.271 6.0 1 1 17 343.53 5373.51816 5373.494 6.0 1 1 5 415.17 5421.33039 5421.352 6.0 1 1 8 527.08 5495.84957 5495.874 6.0 1 1 43 621.95 5558.85014 5558.702 6.0 1 1 55 694.17 5606.69717 5606.733 6.0 1 1 53 819.68 5689.60298 5689.6401 6.0 1 1 8 acs: add; not Ar 895.34 5739.42024 5739.52 6.0 1 1 16 990.55 5801.93073 5802.08 6.0 1 1 8 acs: increase 1159.21 5912.16138 5912.085 6.0 1 1 47 1184.75 5928.79 5928.8101 6.0 1 1 20 acs: add 1206.26 5942.78996 5942.6665 6.0 1 1 7 acs: add 1293.21 5999.24469 5998.999 6.0 1 1 7 weak 1315.18 6013.47724 6013.678 6.0 1 1 6 1344.01 6032.14299 6032.127 6.0 1 1 170 1361.29 6043.31369 6043.223 6.0 1 1 67 1386.12 6059.36006 6059.373 6.0 1 1 33 1457.68 6105.51024 6105.635 6.0 1 1 19 1519.94 6145.55333 6145.441 6.0 1 1 18 1756.56 6296.77125 6296.872 6.0 1 1 13 1871.38 6369.5847 6369.575 6.0 1 1 9 1895.21 6384.64791 6384.717 6.0 1 1 33 1945.33 6416.28055 6416.307 6.0 1 1 164 2246.79 6604.94325 6604.853 6.0 1 1 24 2363.60 6677.28839 6677.282 6.0 1 1 434 2486.37 6752.85392 6752.834 6.0 1 1 331 2680.39 6871.26187 6871.289 6.0 1 1 316 2836.19 6965.39746 6965.431 6.0 1 1 56184 2944.40 7030.27019 7030.251 6.0 1 1 319 3006.37 7067.22281 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.29267501831055 3006.37060546875 6129.249295407751 953.5377326426249 -14.55154657083732 -1.05516782017614 0.076424426125186 -0.03393263918603315 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,936] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,936] units Angstroms features 32 28.26 5162.31438 5162.285 6.0 1 1 23 65.98 5187.63176 5187.746 6.0 1 1 31 116.17 5221.30496 5221.271 6.0 1 1 17 343.82 5373.68321 5373.494 6.0 1 1 5 415.23 5421.33702 5421.352 6.0 1 1 8 527.04 5495.79244 5495.874 6.0 1 1 43 621.86 5558.76429 5558.702 6.0 1 1 55 694.14 5606.66071 5606.733 6.0 1 1 53 819.76 5689.64412 5689.6401 6.0 1 1 8 acs: add; not Ar 895.34 5739.40708 5739.52 6.0 1 1 16 990.53 5801.91219 5802.08 6.0 1 1 8 acs: increase 1159.16 5912.11345 5912.085 6.0 1 1 47 1184.79 5928.80353 5928.8101 6.0 1 1 20 acs: add 1206.18 5942.71992 5942.6665 6.0 1 1 7 acs: add 1293.01 5999.10038 5998.999 6.0 1 1 7 weak 1315.78 6013.85087 6013.678 6.0 1 1 6 1344.01 6032.12354 6032.127 6.0 1 1 170 1361.33 6043.32383 6043.223 6.0 1 1 67 1386.21 6059.39906 6059.373 6.0 1 1 33 1457.74 6105.52543 6105.635 6.0 1 1 19 1519.85 6145.47169 6145.441 6.0 1 1 18 1756.56 6296.74295 6296.872 6.0 1 1 13 1871.22 6369.45886 6369.575 6.0 1 1 9 1895.46 6384.78742 6384.717 6.0 1 1 33 1945.33 6416.26148 6416.307 6.0 1 1 164 2246.74 6604.91402 6604.853 6.0 1 1 24 2363.55 6677.27871 6677.282 6.0 1 1 434 2486.33 6752.86718 6752.834 6.0 1 1 331 2680.33 6871.27319 6871.289 6.0 1 1 316 2836.16 6965.4211 6965.431 6.0 1 1 56184 2944.39 7030.27576 7030.251 6.0 1 1 319 3006.35 7067.19917 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.25881958007813 3006.35107421875 6129.230026589302 953.5623278165932 -14.53993890913561 -1.066430914812508 0.06668879904510385 -0.05350457931445204 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,941] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,941] units Angstroms features 32 28.11 5162.26944 5162.285 6.0 1 1 23 65.98 5187.66992 5187.746 6.0 1 1 31 116.18 5221.32951 5221.271 6.0 1 1 17 343.83 5373.68435 5373.494 6.0 1 1 5 415.16 5421.2942 5421.352 6.0 1 1 8 527.02 5495.79744 5495.874 6.0 1 1 43 621.81 5558.76061 5558.702 6.0 1 1 55 694.11 5606.67069 5606.733 6.0 1 1 53 819.78 5689.70105 5689.6401 6.0 1 1 8 acs: add; not Ar 895.17 5739.35103 5739.52 6.0 1 1 16 990.52 5801.96253 5802.08 6.0 1 1 8 acs: increase 1159.15 5912.16587 5912.085 6.0 1 1 47 1184.66 5928.77772 5928.8101 6.0 1 1 20 acs: add 1206.06 5942.69865 5942.6665 6.0 1 1 7 acs: add 1292.75 5998.98014 5998.999 6.0 1 1 7 weak 1315.69 6013.84015 6013.678 6.0 1 1 6 1344.02 6032.1761 6032.127 6.0 1 1 170 1361.25 6043.3183 6043.223 6.0 1 1 67 1386.12 6059.38012 6059.373 6.0 1 1 33 1457.79 6105.59081 6105.635 6.0 1 1 19 1519.68 6145.3876 6145.441 6.0 1 1 18 1756.75 6296.86765 6296.872 6.0 1 1 13 1871.36 6369.53777 6369.575 6.0 1 1 9 1895.39 6384.7286 6384.717 6.0 1 1 33 1945.32 6416.23995 6416.307 6.0 1 1 164 2246.65 6604.846 6604.853 6.0 1 1 24 2363.53 6677.26496 6677.282 6.0 1 1 434 2486.33 6752.87915 6752.834 6.0 1 1 331 2680.32 6871.29346 6871.289 6.0 1 1 316 2836.15 6965.44366 6965.431 6.0 1 1 56184 2944.35 7030.26974 7030.251 6.0 1 1 319 3006.33 7067.1865 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.114501953125 3006.326904296875 6129.194571749634 953.5963037070009 -14.5405833065141 -1.05640103719225 0.07398231954373346 -0.08136900898312192 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,946] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,946] units Angstroms features 32 28.01 5162.22621 5162.285 6.0 1 1 23 66.01 5187.72379 5187.746 6.0 1 1 31 116.17 5221.3644 5221.271 6.0 1 1 17 343.43 5373.46649 5373.494 6.0 1 1 5 415.32 5421.44361 5421.352 6.0 1 1 8 527.01 5495.82692 5495.874 6.0 1 1 43 621.78 5558.76763 5558.702 6.0 1 1 55 694.05 5606.65278 5606.733 6.0 1 1 53 819.68 5689.65267 5689.6401 6.0 1 1 8 acs: add; not Ar 895.35 5739.47857 5739.52 6.0 1 1 16 990.49 5801.94914 5802.08 6.0 1 1 8 acs: increase 1159.12 5912.14923 5912.085 6.0 1 1 47 1184.61 5928.74818 5928.8101 6.0 1 1 20 acs: add 1206.06 5942.70513 5942.6665 6.0 1 1 7 acs: add 1292.77 5998.99712 5998.999 6.0 1 1 7 weak 1315.59 6013.78175 6013.678 6.0 1 1 6 1343.99 6032.16166 6032.127 6.0 1 1 170 1361.21 6043.29948 6043.223 6.0 1 1 67 1385.99 6059.30308 6059.373 6.0 1 1 33 1457.76 6105.58352 6105.635 6.0 1 1 19 1519.87 6145.52104 6145.441 6.0 1 1 18 1756.86 6296.95241 6296.872 6.0 1 1 13 1871.31 6369.52626 6369.575 6.0 1 1 9 1895.25 6384.66047 6384.717 6.0 1 1 33 1945.28 6416.22921 6416.307 6.0 1 1 164 2246.62 6604.84025 6604.853 6.0 1 1 24 2363.58 6677.29371 6677.282 6.0 1 1 434 2486.31 6752.85827 6752.834 6.0 1 1 331 2680.38 6871.31723 6871.289 6.0 1 1 316 2836.13 6965.43126 6965.431 6.0 1 1 56184 2944.28 7030.24092 7030.251 6.0 1 1 319 3006.32 7067.21131 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.01177215576172 3006.318115234375 6129.175618467858 953.6115914835964 -14.53257815269905 -1.05270808316786 0.07572096686764655 -0.06632993956433831 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,951] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,951] units Angstroms features 32 28.00 5162.24238 5162.285 6.0 1 1 23 65.99 5187.73294 5187.746 6.0 1 1 31 116.07 5221.31899 5221.271 6.0 1 1 17 343.55 5373.55643 5373.494 6.0 1 1 5 415.22 5421.38795 5421.352 6.0 1 1 8 526.97 5495.79803 5495.874 6.0 1 1 43 621.78 5558.76428 5558.702 6.0 1 1 55 694.02 5606.63341 5606.733 6.0 1 1 53 819.68 5689.64325 5689.6401 6.0 1 1 8 acs: add; not Ar 895.40 5739.50601 5739.52 6.0 1 1 16 990.63 5802.03262 5802.08 6.0 1 1 8 acs: increase 1159.01 5912.07485 5912.085 6.0 1 1 47 1184.61 5928.74814 5928.8101 6.0 1 1 20 acs: add 1205.96 5942.63916 5942.6665 6.0 1 1 7 acs: add 1292.93 5999.10362 5998.999 6.0 1 1 7 weak 1315.54 6013.75011 6013.678 6.0 1 1 6 1343.94 6032.13205 6032.127 6.0 1 1 170 1361.26 6043.33311 6043.223 6.0 1 1 67 1386.08 6059.37103 6059.373 6.0 1 1 33 1457.75 6105.58349 6105.635 6.0 1 1 19 1519.83 6145.50465 6145.441 6.0 1 1 18 1756.58 6296.79174 6296.872 6.0 1 1 13 1871.30 6369.5361 6369.575 6.0 1 1 9 1895.27 6384.69007 6384.717 6.0 1 1 33 1945.30 6416.25946 6416.307 6.0 1 1 164 2246.77 6604.93591 6604.853 6.0 1 1 24 2363.55 6677.27927 6677.282 6.0 1 1 434 2486.25 6752.81819 6752.834 6.0 1 1 331 2680.38 6871.31712 6871.289 6.0 1 1 316 2836.12 6965.42631 6965.431 6.0 1 1 56184 2944.19 7030.20985 7030.251 6.0 1 1 319 3006.30 7067.24317 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.00321960449219 3006.303955078125 6129.17880487001 953.6104537370435 -14.52217149771641 -1.053189856864653 0.08614218569034044 -0.05686920041646326 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,956] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,956] units Angstroms features 32 28.08 5162.28287 5162.285 6.0 1 1 23 65.94 5187.69701 5187.746 6.0 1 1 31 116.07 5221.32834 5221.271 6.0 1 1 17 343.41 5373.49194 5373.494 6.0 1 1 5 415.18 5421.3897 5421.352 6.0 1 1 8 526.95 5495.8155 5495.874 6.0 1 1 43 621.75 5558.77699 5558.702 6.0 1 1 55 694.04 5606.67124 5606.733 6.0 1 1 53 819.65 5689.6513 5689.6401 6.0 1 1 8 acs: add; not Ar 895.30 5739.46484 5739.52 6.0 1 1 16 990.69 5802.09758 5802.08 6.0 1 1 8 acs: increase 1158.96 5912.0651 5912.085 6.0 1 1 47 1184.56 5928.73463 5928.8101 6.0 1 1 20 acs: add 1205.94 5942.64533 5942.6665 6.0 1 1 7 acs: add 1292.94 5999.13256 5998.999 6.0 1 1 7 weak 1315.37 6013.6645 6013.678 6.0 1 1 6 1343.88 6032.12214 6032.127 6.0 1 1 170 1361.18 6043.30797 6043.223 6.0 1 1 67 1386.16 6059.44614 6059.373 6.0 1 1 33 1457.75 6105.61172 6105.635 6.0 1 1 19 1519.68 6145.43876 6145.441 6.0 1 1 18 1756.39 6296.70157 6296.872 6.0 1 1 13 1871.28 6369.5565 6369.575 6.0 1 1 9 1895.33 6384.76103 6384.717 6.0 1 1 33 1945.29 6416.29193 6416.307 6.0 1 1 164 2246.78 6604.97761 6604.853 6.0 1 1 24 2363.42 6677.23035 6677.282 6.0 1 1 434 2486.21 6752.82167 6752.834 6.0 1 1 331 2680.33 6871.3006 6871.289 6.0 1 1 316 2836.06 6965.40188 6965.431 6.0 1 1 56184 2944.26 7030.26338 7030.251 6.0 1 1 319 3006.25 7067.22101 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.07603454589844 3006.24951171875 6129.206508599633 953.5706767926475 -14.53487039096797 -1.052879210661917 0.08030279282188059 -0.04872575181845429 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,961] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,961] units Angstroms features 32 28.15 5162.29665 5162.285 6.0 1 1 23 65.97 5187.6907 5187.746 6.0 1 1 31 116.07 5221.31006 5221.271 6.0 1 1 17 343.38 5373.47509 5373.494 6.0 1 1 5 415.27 5421.44915 5421.352 6.0 1 1 8 526.94 5495.8063 5495.874 6.0 1 1 43 621.73 5558.75483 5558.702 6.0 1 1 55 694.08 5606.68618 5606.733 6.0 1 1 53 819.55 5689.57075 5689.6401 6.0 1 1 8 acs: add; not Ar 895.34 5739.47047 5739.52 6.0 1 1 16 990.92 5802.22495 5802.08 6.0 1 1 8 acs: increase 1158.95 5912.03584 5912.085 6.0 1 1 47 1184.65 5928.7711 5928.8101 6.0 1 1 20 acs: add 1205.91 5942.6047 5942.6665 6.0 1 1 7 acs: add 1292.95 5999.11274 5998.999 6.0 1 1 7 weak 1315.26 6013.5694 6013.678 6.0 1 1 6 1343.90 6032.10704 6032.127 6.0 1 1 170 1361.14 6043.25982 6043.223 6.0 1 1 67 1386.17 6059.43097 6059.373 6.0 1 1 33 1457.89 6105.68316 6105.635 6.0 1 1 19 1519.89 6145.55462 6145.441 6.0 1 1 18 1756.55 6296.79592 6296.872 6.0 1 1 13 1871.10 6369.442 6369.575 6.0 1 1 9 1895.35 6384.77554 6384.717 6.0 1 1 33 1945.22 6416.24701 6416.307 6.0 1 1 164 2246.74 6604.96926 6604.853 6.0 1 1 24 2363.41 6677.24405 6677.282 6.0 1 1 434 2486.24 6752.86015 6752.834 6.0 1 1 331 2680.26 6871.27982 6871.289 6.0 1 1 316 2836.02 6965.39407 6965.431 6.0 1 1 56184 2944.27 7030.27377 7030.251 6.0 1 1 319 3006.24 7067.21757 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.1470947265625 3006.236328124999 6129.222238382582 953.5607326506998 -14.53191428992213 -1.057067242206447 0.0667872542344206 -0.04320899886773663 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,966] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,966] units Angstroms features 32 28.08 5162.26197 5162.285 6.0 1 1 23 65.99 5187.71806 5187.746 6.0 1 1 31 116.04 5221.29842 5221.271 6.0 1 1 17 343.51 5373.56706 5373.494 6.0 1 1 5 415.20 5421.40424 5421.352 6.0 1 1 8 526.93 5495.80301 5495.874 6.0 1 1 43 621.74 5558.76145 5558.702 6.0 1 1 55 694.07 5606.67839 5606.733 6.0 1 1 53 819.61 5689.60157 5689.6401 6.0 1 1 8 acs: add; not Ar 895.29 5739.4325 5739.52 6.0 1 1 16 990.68 5802.05675 5802.08 6.0 1 1 8 acs: increase 1159.01 5912.06254 5912.085 6.0 1 1 47 1184.66 5928.76629 5928.8101 6.0 1 1 20 acs: add 1206.06 5942.69262 5942.6665 6.0 1 1 7 acs: add 1293.05 5999.1693 5998.999 6.0 1 1 7 weak 1315.38 6013.64145 6013.678 6.0 1 1 6 1343.92 6032.10989 6032.127 6.0 1 1 170 1361.19 6043.27851 6043.223 6.0 1 1 67 1386.07 6059.35331 6059.373 6.0 1 1 33 1457.88 6105.66635 6105.635 6.0 1 1 19 1519.94 6145.58122 6145.441 6.0 1 1 18 1756.59 6296.82149 6296.872 6.0 1 1 13 1871.00 6369.38059 6369.575 6.0 1 1 9 1895.34 6384.77211 6384.717 6.0 1 1 33 1945.21 6416.24363 6416.307 6.0 1 1 164 2246.63 6604.90908 6604.853 6.0 1 1 24 2363.47 6677.28508 6677.282 6.0 1 1 434 2486.27 6752.88451 6752.834 6.0 1 1 331 2680.26 6871.28101 6871.289 6.0 1 1 316 2836.04 6965.40356 6965.431 6.0 1 1 56184 2944.26 7030.26137 7030.251 6.0 1 1 319 3006.25 7067.21639 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.07758903503418 3006.250732421875 6129.204574323242 953.5842254183929 -14.52841689798752 -1.064721340846536 0.06301885173312489 -0.04229460817532583 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,971] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,971] units Angstroms features 32 28.05 5162.25568 5162.285 6.0 1 1 23 65.96 5187.72126 5187.746 6.0 1 1 31 116.07 5221.3526 5221.271 6.0 1 1 17 343.21 5373.41013 5373.494 6.0 1 1 5 415.14 5421.41214 5421.352 6.0 1 1 8 526.96 5495.86362 5495.874 6.0 1 1 43 621.73 5558.7866 5558.702 6.0 1 1 55 694.03 5606.68374 5606.733 6.0 1 1 53 819.76 5689.72129 5689.6401 6.0 1 1 8 acs: add; not Ar 895.21 5739.39709 5739.52 6.0 1 1 16 990.50 5801.95745 5802.08 6.0 1 1 8 acs: increase 1159.11 5912.14965 5912.085 6.0 1 1 47 1184.63 5928.76879 5928.8101 6.0 1 1 20 acs: add 1205.94 5942.6349 5942.6665 6.0 1 1 7 acs: add 1292.96 5999.13963 5998.999 6.0 1 1 7 weak 1315.39 6013.67526 6013.678 6.0 1 1 6 1343.91 6032.13425 6032.127 6.0 1 1 170 1361.22 6043.32806 6043.223 6.0 1 1 67 1386.07 6059.38684 6059.373 6.0 1 1 33 1457.67 6105.56994 6105.635 6.0 1 1 19 1519.76 6145.50094 6145.441 6.0 1 1 18 1756.49 6296.80663 6296.872 6.0 1 1 13 1870.97 6369.40978 6369.575 6.0 1 1 9 1895.21 6384.74079 6384.717 6.0 1 1 33 1945.25 6416.31809 6416.307 6.0 1 1 164 2246.62 6604.93936 6604.853 6.0 1 1 24 2363.45 6677.29935 6677.282 6.0 1 1 434 2486.20 6752.84879 6752.834 6.0 1 1 331 2680.24 6871.26094 6871.289 6.0 1 1 316 2836.04 6965.39124 6965.431 6.0 1 1 56184 2944.30 7030.28145 7030.251 6.0 1 1 319 3006.24 7067.2174 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.04642868041992 3006.239013671875 6129.213690399668 953.5749272254545 -14.54258221927785 -1.068258078842113 0.06543199779680926 -0.02580994205977854 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,976] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,976] units Angstroms features 32 28.11 5162.29342 5162.285 6.0 1 1 23 65.89 5187.66277 5187.746 6.0 1 1 31 116.10 5221.36009 5221.271 6.0 1 1 17 343.33 5373.47435 5373.494 6.0 1 1 5 415.10 5421.37101 5421.352 6.0 1 1 8 526.94 5495.84248 5495.874 6.0 1 1 43 621.71 5558.77771 5558.702 6.0 1 1 55 694.08 5606.72033 5606.733 6.0 1 1 53 819.62 5689.64701 5689.6401 6.0 1 1 8 acs: add; not Ar 895.23 5739.42925 5739.52 6.0 1 1 16 990.59 5802.03725 5802.08 6.0 1 1 8 acs: increase 1159.02 5912.11495 5912.085 6.0 1 1 47 1184.64 5928.7959 5928.8101 6.0 1 1 20 acs: add 1205.74 5942.52553 5942.6665 6.0 1 1 7 acs: add 1292.93 5999.13564 5998.999 6.0 1 1 7 weak 1315.53 6013.78186 6013.678 6.0 1 1 6 1343.89 6032.13903 6032.127 6.0 1 1 170 1361.20 6043.32913 6043.223 6.0 1 1 67 1386.02 6059.37258 6059.373 6.0 1 1 33 1457.62 6105.54709 6105.635 6.0 1 1 19 1519.68 6145.45515 6145.441 6.0 1 1 18 1756.54 6296.83478 6296.872 6.0 1 1 13 1871.11 6369.49619 6369.575 6.0 1 1 9 1895.12 6384.67387 6384.717 6.0 1 1 33 1945.27 6416.32579 6416.307 6.0 1 1 164 2246.62 6604.93205 6604.853 6.0 1 1 24 2363.42 6677.27971 6677.282 6.0 1 1 434 2486.17 6752.84256 6752.834 6.0 1 1 331 2680.23 6871.27099 6871.289 6.0 1 1 316 2836.04 6965.40545 6965.431 6.0 1 1 56184 2944.29 7030.27988 7030.251 6.0 1 1 319 3006.24 7067.2099 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.10708236694336 3006.239990234375 6129.23493509255 953.5604793432387 -14.54827485714745 -1.063413025478376 0.06500292826090275 -0.03882602274200223 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,981] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,981] units Angstroms features 32 28.05 5162.27049 5162.285 6.0 1 1 23 65.94 5187.68571 5187.746 6.0 1 1 31 116.12 5221.33896 5221.271 6.0 1 1 17 343.63 5373.59846 5373.494 6.0 1 1 5 415.14 5421.32897 5421.352 6.0 1 1 8 526.93 5495.78288 5495.874 6.0 1 1 43 621.70 5558.73743 5558.702 6.0 1 1 55 694.08 5606.70442 5606.733 6.0 1 1 53 819.62 5689.64965 5689.6401 6.0 1 1 8 acs: add; not Ar 895.19 5739.4196 5739.52 6.0 1 1 16 990.71 5802.14349 5802.08 6.0 1 1 8 acs: increase 1158.98 5912.12047 5912.085 6.0 1 1 47 1184.59 5928.80019 5928.8101 6.0 1 1 20 acs: add 1205.82 5942.61443 5942.6665 6.0 1 1 7 acs: add 1292.85 5999.11628 5998.999 6.0 1 1 7 weak 1315.20 6013.59971 6013.678 6.0 1 1 6 1343.86 6032.14346 6032.127 6.0 1 1 170 1361.19 6043.35522 6043.223 6.0 1 1 67 1385.96 6059.35487 6059.373 6.0 1 1 33 1457.60 6105.55077 6105.635 6.0 1 1 19 1519.63 6145.43352 6145.441 6.0 1 1 18 1756.54 6296.81776 6296.872 6.0 1 1 13 1871.39 6369.63981 6369.575 6.0 1 1 9 1895.29 6384.74978 6384.717 6.0 1 1 33 1945.23 6416.26432 6416.307 6.0 1 1 164 2246.53 6604.83928 6604.853 6.0 1 1 24 2363.39 6677.23907 6677.282 6.0 1 1 434 2486.22 6752.86159 6752.834 6.0 1 1 331 2680.27 6871.3065 6871.289 6.0 1 1 316 2836.05 6965.42333 6965.431 6.0 1 1 56184 2944.31 7030.29015 7030.251 6.0 1 1 319 3006.23 7067.18314 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.04819869995117 3006.2314453125 6129.199138137074 953.5921164624502 -14.55500409794833 -1.060052736581959 0.08268324648060763 -0.07573734818887084 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,986] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,986] units Angstroms features 32 28.07 5162.29213 5162.285 6.0 1 1 23 65.95 5187.70788 5187.746 6.0 1 1 31 116.03 5221.28973 5221.271 6.0 1 1 17 343.52 5373.54957 5373.494 6.0 1 1 5 415.16 5421.35966 5421.352 6.0 1 1 8 526.97 5495.82969 5495.874 6.0 1 1 43 621.67 5558.73217 5558.702 6.0 1 1 55 694.06 5606.70153 5606.733 6.0 1 1 53 819.46 5689.55591 5689.6401 6.0 1 1 8 acs: add; not Ar 895.27 5739.47353 5739.52 6.0 1 1 16 990.81 5802.21199 5802.08 6.0 1 1 8 acs: increase 1159.03 5912.14746 5912.085 6.0 1 1 47 1184.60 5928.79561 5928.8101 6.0 1 1 20 acs: add 1205.85 5942.62044 5942.6665 6.0 1 1 7 acs: add 1292.80 5999.07294 5998.999 6.0 1 1 7 weak 1315.16 6013.55696 6013.678 6.0 1 1 6 1343.85 6032.1297 6032.127 6.0 1 1 170 1361.17 6043.32589 6043.223 6.0 1 1 67 1386.05 6059.39611 6059.373 6.0 1 1 33 1457.63 6105.55138 6105.635 6.0 1 1 19 1519.64 6145.42882 6145.441 6.0 1 1 18 1756.53 6296.79233 6296.872 6.0 1 1 13 1871.50 6369.69481 6369.575 6.0 1 1 9 1895.37 6384.7812 6384.717 6.0 1 1 33 1945.19 6416.22048 6416.307 6.0 1 1 164 2246.55 6604.84646 6604.853 6.0 1 1 24 2363.41 6677.24451 6677.282 6.0 1 1 434 2486.23 6752.86808 6752.834 6.0 1 1 331 2680.21 6871.28255 6871.289 6.0 1 1 316 2836.04 6965.43694 6965.431 6.0 1 1 56184 2944.22 7030.26055 7030.251 6.0 1 1 319 3006.23 7067.20666 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.06996536254883 3006.232421875 6129.213336841241 953.5833985100558 -14.53915369771971 -1.052253435706608 0.07521227644554246 -0.07388235667161806 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,991] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,991] units Angstroms features 32 28.04 5162.29024 5162.285 6.0 1 1 23 65.92 5187.71796 5187.746 6.0 1 1 31 115.93 5221.26629 5221.271 6.0 1 1 17 343.47 5373.56304 5373.494 6.0 1 1 5 415.11 5421.36986 5421.352 6.0 1 1 8 526.96 5495.84817 5495.874 6.0 1 1 43 621.68 5558.75723 5558.702 6.0 1 1 55 694.04 5606.6984 5606.733 6.0 1 1 53 819.38 5689.49116 5689.6401 6.0 1 1 8 acs: add; not Ar 895.32 5739.49278 5739.52 6.0 1 1 16 990.76 5802.15868 5802.08 6.0 1 1 8 acs: increase 1159.05 5912.134 5912.085 6.0 1 1 47 1184.60 5928.77382 5928.8101 6.0 1 1 20 acs: add 1205.84 5942.5925 5942.6665 6.0 1 1 7 acs: add 1292.90 5999.11457 5998.999 6.0 1 1 7 weak 1315.40 6013.69731 6013.678 6.0 1 1 6 1343.88 6032.12977 6032.127 6.0 1 1 170 1361.14 6043.28994 6043.223 6.0 1 1 67 1385.97 6059.3348 6059.373 6.0 1 1 33 1457.68 6105.57601 6105.635 6.0 1 1 19 1519.72 6145.46989 6145.441 6.0 1 1 18 1756.69 6296.91278 6296.872 6.0 1 1 13 1871.24 6369.55315 6369.575 6.0 1 1 9 1895.19 6384.697 6384.717 6.0 1 1 33 1945.19 6416.25487 6416.307 6.0 1 1 164 2246.50 6604.84566 6604.853 6.0 1 1 24 2363.43 6677.28248 6677.282 6.0 1 1 434 2486.20 6752.86569 6752.834 6.0 1 1 331 2680.23 6871.29385 6871.289 6.0 1 1 316 2836.05 6965.43183 6965.431 6.0 1 1 56184 2944.20 7030.24164 7030.251 6.0 1 1 319 3006.25 7067.21832 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.0383415222168 3006.25341796875 6129.221784642295 953.5849846156523 -14.53257616497254 -1.067230909525812 0.06507312623132617 -0.05371491137135552 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,996] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,996] units Angstroms features 32 27.98 5162.24607 5162.285 6.0 1 1 23 65.95 5187.74629 5187.746 6.0 1 1 31 115.98 5221.32831 5221.271 6.0 1 1 17 343.20 5373.43292 5373.494 6.0 1 1 5 415.06 5421.38455 5421.352 6.0 1 1 8 526.95 5495.88317 5495.874 6.0 1 1 43 621.72 5558.80994 5558.702 6.0 1 1 55 694.06 5606.72961 5606.733 6.0 1 1 53 819.48 5689.56233 5689.6401 6.0 1 1 8 acs: add; not Ar 895.22 5739.4253 5739.52 6.0 1 1 16 990.60 5802.0466 5802.08 6.0 1 1 8 acs: increase 1159.04 5912.11553 5912.085 6.0 1 1 47 1184.45 5928.66781 5928.8101 6.0 1 1 20 acs: add 1205.92 5942.63727 5942.6665 6.0 1 1 7 acs: add 1293.03 5999.19462 5998.999 6.0 1 1 7 weak 1315.62 6013.83498 6013.678 6.0 1 1 6 1343.89 6032.1308 6032.127 6.0 1 1 170 1361.21 6043.33324 6043.223 6.0 1 1 67 1385.88 6059.27002 6059.373 6.0 1 1 33 1457.64 6105.55446 6105.635 6.0 1 1 19 1519.73 6145.48578 6145.441 6.0 1 1 18 1756.64 6296.89781 6296.872 6.0 1 1 13 1870.86 6369.33879 6369.575 6.0 1 1 9 1895.29 6384.78439 6384.717 6.0 1 1 33 1945.23 6416.30581 6416.307 6.0 1 1 164 2246.53 6604.87585 6604.853 6.0 1 1 24 2363.49 6677.3232 6677.282 6.0 1 1 434 2486.21 6752.85865 6752.834 6.0 1 1 331 2680.26 6871.27429 6871.289 6.0 1 1 316 2836.06 6965.40213 6965.431 6.0 1 1 56184 2944.26 7030.25894 7030.251 6.0 1 1 319 3006.26 7067.22427 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 27.97755813598633 3006.261962890625 6129.210176872452 953.5842494736769 -14.53721022255307 -1.066685697028042 0.06220224406901587 -0.02846538158107008 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1001] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1001] units Angstroms features 32 28.08 5162.24919 5162.285 6.0 1 1 23 66.00 5187.72908 5187.746 6.0 1 1 31 116.11 5221.36732 5221.271 6.0 1 1 17 343.06 5373.33268 5373.494 6.0 1 1 5 415.10 5421.41582 5421.352 6.0 1 1 8 526.97 5495.90356 5495.874 6.0 1 1 43 621.76 5558.84871 5558.702 6.0 1 1 55 694.04 5606.72551 5606.733 6.0 1 1 53 819.58 5689.64406 5689.6401 6.0 1 1 8 acs: add; not Ar 895.23 5739.44311 5739.52 6.0 1 1 16 990.39 5801.9163 5802.08 6.0 1 1 8 acs: increase 1158.96 5912.06743 5912.085 6.0 1 1 47 1184.49 5928.69148 5928.8101 6.0 1 1 20 acs: add 1205.88 5942.61003 5942.6665 6.0 1 1 7 acs: add 1293.08 5999.21944 5998.999 6.0 1 1 7 weak 1315.59 6013.80724 6013.678 6.0 1 1 6 1343.90 6032.1283 6032.127 6.0 1 1 170 1361.24 6043.34273 6043.223 6.0 1 1 67 1386.00 6059.34138 6059.373 6.0 1 1 33 1457.58 6105.50339 6105.635 6.0 1 1 19 1519.90 6145.57988 6145.441 6.0 1 1 18 1756.56 6296.82784 6296.872 6.0 1 1 13 1870.85 6369.31448 6369.575 6.0 1 1 9 1895.37 6384.81066 6384.717 6.0 1 1 33 1945.32 6416.33867 6416.307 6.0 1 1 164 2246.54 6604.86898 6604.853 6.0 1 1 24 2363.49 6677.30916 6677.282 6.0 1 1 434 2486.23 6752.86651 6752.834 6.0 1 1 331 2680.25 6871.26764 6871.289 6.0 1 1 316 2836.07 6965.40404 6965.431 6.0 1 1 56184 2944.33 7030.28517 7030.251 6.0 1 1 319 3006.26 7067.20392 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.07961273193359 3006.259033203125 6129.228819688611 953.5574042423181 -14.5498810494725 -1.049533940217415 0.04761544284638258 -0.03050413410799509 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1006] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1006] units Angstroms features 32 28.24 5162.30496 5162.285 6.0 1 1 23 66.04 5187.68857 5187.746 6.0 1 1 31 116.12 5221.30318 5221.271 6.0 1 1 17 343.37 5373.45584 5373.494 6.0 1 1 5 415.23 5421.42422 5421.352 6.0 1 1 8 526.97 5495.84019 5495.874 6.0 1 1 43 621.77 5558.80276 5558.702 6.0 1 1 55 694.06 5606.70679 5606.733 6.0 1 1 53 819.56 5689.60761 5689.6401 6.0 1 1 8 acs: add; not Ar 895.28 5739.46949 5739.52 6.0 1 1 16 990.56 5802.02607 5802.08 6.0 1 1 8 acs: increase 1158.92 5912.05072 5912.085 6.0 1 1 47 1184.60 5928.77195 5928.8101 6.0 1 1 20 acs: add 1205.81 5942.56661 5942.6665 6.0 1 1 7 acs: add 1292.87 5999.0943 5998.999 6.0 1 1 7 weak 1315.60 6013.82087 6013.678 6.0 1 1 6 1343.91 6032.1408 6032.127 6.0 1 1 170 1361.20 6043.32554 6043.223 6.0 1 1 67 1386.11 6059.41351 6059.373 6.0 1 1 33 1457.60 6105.51277 6105.635 6.0 1 1 19 1519.76 6145.49023 6145.441 6.0 1 1 18 1756.43 6296.73236 6296.872 6.0 1 1 13 1871.21 6369.52117 6369.575 6.0 1 1 9 1895.41 6384.81708 6384.717 6.0 1 1 33 1945.36 6416.34593 6416.307 6.0 1 1 164 2246.45 6604.79712 6604.853 6.0 1 1 24 2363.45 6677.27779 6677.282 6.0 1 1 434 2486.21 6752.85128 6752.834 6.0 1 1 331 2680.30 6871.31072 6871.289 6.0 1 1 316 2836.08 6965.42149 6965.431 6.0 1 1 56184 2944.33 7030.28332 7030.251 6.0 1 1 319 3006.27 7067.18846 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.24259185791015 3006.26513671875 6129.25928014316 953.5413076862149 -14.56669204075083 -1.047392049805763 0.05412010770383677 -0.05216830696913812 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1011] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1011] units Angstroms features 32 28.24 5162.34033 5162.285 6.0 1 1 23 66.00 5187.69561 5187.746 6.0 1 1 31 116.00 5221.25467 5221.271 6.0 1 1 17 343.26 5373.39682 5373.494 6.0 1 1 5 415.31 5421.48474 5421.352 6.0 1 1 8 526.98 5495.84604 5495.874 6.0 1 1 43 621.75 5558.7877 5558.702 6.0 1 1 55 694.13 5606.74126 5606.733 6.0 1 1 53 819.52 5689.56888 5689.6401 6.0 1 1 8 acs: add; not Ar 895.29 5739.46446 5739.52 6.0 1 1 16 990.68 5802.09119 5802.08 6.0 1 1 8 acs: increase 1158.96 5912.06607 5912.085 6.0 1 1 47 1184.50 5928.69818 5928.8101 6.0 1 1 20 acs: add 1205.78 5942.54535 5942.6665 6.0 1 1 7 acs: add 1292.81 5999.05609 5998.999 6.0 1 1 7 weak 1315.69 6013.88199 6013.678 6.0 1 1 6 1343.93 6032.15689 6032.127 6.0 1 1 170 1361.20 6043.32827 6043.223 6.0 1 1 67 1386.09 6059.40572 6059.373 6.0 1 1 33 1457.72 6105.60023 6105.635 6.0 1 1 19 1519.69 6145.45371 6145.441 6.0 1 1 18 1756.25 6296.63268 6296.872 6.0 1 1 13 1871.15 6369.50295 6369.575 6.0 1 1 9 1895.45 6384.86438 6384.717 6.0 1 1 33 1945.28 6416.30705 6416.307 6.0 1 1 164 2246.61 6604.89674 6604.853 6.0 1 1 24 2363.47 6677.28242 6677.282 6.0 1 1 434 2486.24 6752.85451 6752.834 6.0 1 1 331 2680.26 6871.26089 6871.289 6.0 1 1 316 2836.08 6965.40511 6965.431 6.0 1 1 56184 2944.32 7030.27822 7030.251 6.0 1 1 319 3006.27 7067.21454 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.24138832092286 3006.2724609375 6129.266420699442 953.530332155745 -14.55779678215885 -1.052795834292291 0.06881247780891386 -0.04043320401726649 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1016] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1016] units Angstroms features 32 28.14 5162.30211 5162.285 6.0 1 1 23 65.97 5187.7085 5187.746 6.0 1 1 31 116.04 5221.31209 5221.271 6.0 1 1 17 343.10 5373.31748 5373.494 6.0 1 1 5 415.32 5421.51003 5421.352 6.0 1 1 8 527.00 5495.87043 5495.874 6.0 1 1 43 621.78 5558.80088 5558.702 6.0 1 1 55 694.10 5606.71133 5606.733 6.0 1 1 53 819.67 5689.64879 5689.6401 6.0 1 1 8 acs: add; not Ar 895.21 5739.38594 5739.52 6.0 1 1 16 990.69 5802.07172 5802.08 6.0 1 1 8 acs: increase 1159.00 5912.06653 5912.085 6.0 1 1 47 1184.51 5928.681 5928.8101 6.0 1 1 20 acs: add 1205.91 5942.60427 5942.6665 6.0 1 1 7 acs: add 1292.94 5999.11432 5998.999 6.0 1 1 7 weak 1315.76 6013.90228 6013.678 6.0 1 1 6 1343.93 6032.13091 6032.127 6.0 1 1 170 1361.18 6043.2912 6043.223 6.0 1 1 67 1386.02 6059.3441 6059.373 6.0 1 1 33 1457.75 6105.60269 6105.635 6.0 1 1 19 1519.80 6145.51227 6145.441 6.0 1 1 18 1756.31 6296.66617 6296.872 6.0 1 1 13 1871.13 6369.48854 6369.575 6.0 1 1 9 1895.33 6384.78809 6384.717 6.0 1 1 33 1945.26 6416.2942 6416.307 6.0 1 1 164 2246.69 6604.93705 6604.853 6.0 1 1 24 2363.51 6677.2942 6677.282 6.0 1 1 434 2486.33 6752.88556 6752.834 6.0 1 1 331 2680.26 6871.22542 6871.289 6.0 1 1 316 2836.09 6965.37584 6965.431 6.0 1 1 56184 2944.41 7030.30872 7030.251 6.0 1 1 319 3006.29 7067.21105 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.13876342773438 3006.288818359375 6129.231858356941 953.5442533094649 -14.54649911393164 -1.063658247119947 0.0712183046888374 -0.02612341741587644 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1021] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1021] units Angstroms features 32 28.11 5162.28305 5162.285 6.0 1 1 23 65.96 5187.68481 5187.746 6.0 1 1 31 116.14 5221.34789 5221.271 6.0 1 1 17 343.43 5373.48345 5373.494 6.0 1 1 5 415.20 5421.37487 5421.352 6.0 1 1 8 527.01 5495.8311 5495.874 6.0 1 1 43 621.76 5558.75784 5558.702 6.0 1 1 55 694.11 5606.69158 5606.733 6.0 1 1 53 819.76 5689.69658 5689.6401 6.0 1 1 8 acs: add; not Ar 895.21 5739.37508 5739.52 6.0 1 1 16 990.86 5802.18032 5802.08 6.0 1 1 8 acs: increase 1159.08 5912.11233 5912.085 6.0 1 1 47 1184.63 5928.75471 5928.8101 6.0 1 1 20 acs: add 1205.66 5942.43719 5942.6665 6.0 1 1 7 acs: add 1293.04 5999.16822 5998.999 6.0 1 1 7 weak 1315.71 6013.85525 6013.678 6.0 1 1 6 1343.91 6032.10948 6032.127 6.0 1 1 170 1361.20 6043.28805 6043.223 6.0 1 1 67 1386.04 6059.33582 6059.373 6.0 1 1 33 1457.69 6105.54277 6105.635 6.0 1 1 19 1519.83 6145.50482 6145.441 6.0 1 1 18 1756.47 6296.71918 6296.872 6.0 1 1 13 1871.51 6369.66984 6369.575 6.0 1 1 9 1895.27 6384.69027 6384.717 6.0 1 1 33 1945.33 6416.28198 6416.307 6.0 1 1 164 2246.67 6604.8807 6604.853 6.0 1 1 24 2363.56 6677.28127 6677.282 6.0 1 1 434 2486.33 6752.85964 6752.834 6.0 1 1 331 2680.34 6871.27233 6871.289 6.0 1 1 316 2836.12 6965.39326 6965.431 6.0 1 1 56184 2944.42 7030.30292 7030.251 6.0 1 1 319 3006.31 7067.19712 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.1112117767334 3006.308349609375 6129.20260011103 953.5658101918457 -14.5393452112572 -1.057575763326523 0.07682815954346212 -0.05120244731232628 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1026] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1026] units Angstroms features 32 28.02 5162.22033 5162.285 6.0 1 1 23 66.05 5187.73398 5187.746 6.0 1 1 31 116.16 5221.33564 5221.271 6.0 1 1 17 343.77 5373.65064 5373.494 6.0 1 1 5 415.21 5421.32238 5421.352 6.0 1 1 8 527.01 5495.7738 5495.874 6.0 1 1 43 621.74 5558.69189 5558.702 6.0 1 1 55 694.19 5606.70137 5606.733 6.0 1 1 53 819.78 5689.67577 5689.6401 6.0 1 1 8 acs: add; not Ar 895.20 5739.3424 5739.52 6.0 1 1 16 990.91 5802.18904 5802.08 6.0 1 1 8 acs: increase 1159.10 5912.1126 5912.085 6.0 1 1 47 1184.70 5928.78631 5928.8101 6.0 1 1 20 acs: add 1205.48 5942.30879 5942.6665 6.0 1 0 7 acs: add 1292.93 5999.09039 5998.999 6.0 1 1 7 weak 1315.37 6013.63005 6013.678 6.0 1 1 6 1343.91 6032.10354 6032.127 6.0 1 1 170 1361.25 6043.31434 6043.223 6.0 1 1 67 1386.12 6059.37985 6059.373 6.0 1 1 33 1457.76 6105.57767 6105.635 6.0 1 1 19 1519.91 6145.54823 6145.441 6.0 1 1 18 1756.53 6296.75352 6296.872 6.0 1 1 13 1871.32 6369.54774 6369.575 6.0 1 1 9 1895.35 6384.73839 6384.717 6.0 1 1 33 1945.35 6416.29284 6416.307 6.0 1 1 164 2246.64 6604.86321 6604.853 6.0 1 1 24 2363.53 6677.27952 6677.282 6.0 1 1 434 2486.28 6752.8501 6752.834 6.0 1 1 331 2680.35 6871.30045 6871.289 6.0 1 1 316 2836.14 6965.42163 6965.431 6.0 1 1 56184 2944.36 7030.27015 7030.251 6.0 1 1 319 3006.33 7067.19945 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.02243423461914 3006.328857421875 6129.167505679921 953.6277556886718 -14.54079806122559 -1.073411756322614 0.08318092436622255 -0.0647874692102332 # Thu 21:43:02 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1031] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1031] units Angstroms features 32 28.03 5162.2349 5162.285 6.0 1 1 23 66.02 5187.70638 5187.746 6.0 1 1 31 116.22 5221.3578 5221.271 6.0 1 1 17 343.81 5373.63084 5373.494 6.0 1 1 5 415.28 5421.32467 5421.352 6.0 1 1 8 527.03 5495.74606 5495.874 6.0 1 1 43 621.81 5558.7074 5558.702 6.0 1 1 55 694.22 5606.6961 5606.733 6.0 1 1 53 819.93 5689.75875 5689.6401 6.0 1 1 8 acs: add; not Ar 895.23 5739.35635 5739.52 6.0 1 1 16 990.85 5802.15195 5802.08 6.0 1 1 8 acs: increase 1159.11 5912.14241 5912.085 6.0 1 1 47 1184.65 5928.77327 5928.8101 6.0 1 1 20 acs: add 1205.87 5942.58046 5942.6665 6.0 1 1 7 acs: add 1292.61 5998.90973 5998.999 6.0 1 1 7 weak 1315.41 6013.68488 6013.678 6.0 1 1 6 1343.94 6032.15078 6032.127 6.0 1 1 170 1361.32 6043.39227 6043.223 6.0 1 1 67 1386.06 6059.37516 6059.373 6.0 1 1 33 1457.70 6105.57505 6105.635 6.0 1 1 19 1520.01 6145.64368 6145.441 6.0 1 1 18 1756.41 6296.70881 6296.872 6.0 1 1 13 1871.21 6369.50373 6369.575 6.0 1 1 9 1895.35 6384.76458 6384.717 6.0 1 1 33 1945.30 6416.28575 6416.307 6.0 1 1 164 2246.69 6604.90384 6604.853 6.0 1 1 24 2363.50 6677.25751 6677.282 6.0 1 1 434 2486.29 6752.85008 6752.834 6.0 1 1 331 2680.36 6871.29965 6871.289 6.0 1 1 316 2836.15 6965.42329 6965.431 6.0 1 1 56184 2944.35 7030.26064 7030.251 6.0 1 1 319 3006.35 7067.20694 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.03408241271973 3006.348876953126 6129.174101686827 953.6402695825151 -14.55769962122868 -1.083890282947155 0.1045160109509099 -0.07036166888502637 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1036] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1036] units Angstroms features 32 28.11 5162.25909 5162.285 6.0 1 1 23 66.05 5187.70138 5187.746 6.0 1 1 31 116.21 5221.31999 5221.271 6.0 1 1 17 343.96 5373.71135 5373.494 6.0 1 1 5 415.18 5421.24628 5421.352 6.0 1 1 8 527.04 5495.75012 5495.874 6.0 1 1 43 621.85 5558.73527 5558.702 6.0 1 1 55 694.16 5606.65756 5606.733 6.0 1 1 53 819.97 5689.79392 5689.6401 6.0 1 1 8 acs: add; not Ar 895.23 5739.36931 5739.52 6.0 1 1 16 990.76 5802.11075 5802.08 6.0 1 1 8 acs: increase 1159.06 5912.12445 5912.085 6.0 1 1 47 1184.61 5928.76858 5928.8101 6.0 1 1 20 acs: add 1205.95 5942.6541 5942.6665 6.0 1 1 7 acs: add 1292.79 5999.04107 5998.999 6.0 1 1 7 weak 1315.15 6013.52896 6013.678 6.0 1 1 6 1343.98 6032.18805 6032.127 6.0 1 1 170 1361.29 6043.38638 6043.223 6.0 1 1 67 1386.07 6059.39527 6059.373 6.0 1 1 33 1457.55 6105.49088 6105.635 6.0 1 1 19 1519.93 6145.60274 6145.441 6.0 1 1 18 1756.59 6296.81962 6296.872 6.0 1 1 13 1871.20 6369.49025 6369.575 6.0 1 1 9 1895.32 6384.73035 6384.717 6.0 1 1 33 1945.33 6416.28832 6416.307 6.0 1 1 164 2246.72 6604.89934 6604.853 6.0 1 1 24 2363.54 6677.25468 6677.282 6.0 1 1 434 2486.36 6752.86323 6752.834 6.0 1 1 331 2680.40 6871.29253 6871.289 6.0 1 1 316 2836.17 6965.4121 6965.431 6.0 1 1 56184 2944.41 7030.27538 7030.251 6.0 1 1 319 3006.38 7067.2024 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.10723876953125 3006.37841796875 6129.193427316563 953.6193681741549 -14.57301971252873 -1.071879364511241 0.1103372587732444 -0.07582988147589639 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1041] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1041] units Angstroms features 32 28.15 5162.26101 5162.285 6.0 1 1 23 66.10 5187.70834 5187.746 6.0 1 1 31 116.21 5221.30106 5221.271 6.0 1 1 17 343.94 5373.70252 5373.494 6.0 1 1 5 415.22 5421.27917 5421.352 6.0 1 1 8 527.03 5495.75514 5495.874 6.0 1 1 43 621.84 5558.74193 5558.702 6.0 1 1 55 694.12 5606.65426 5606.733 6.0 1 1 53 819.87 5689.74801 5689.6401 6.0 1 1 8 acs: add; not Ar 895.32 5739.44505 5739.52 6.0 1 1 16 990.58 5802.00546 5802.08 6.0 1 1 8 acs: increase 1159.02 5912.098 5912.085 6.0 1 1 47 1184.65 5928.78759 5928.8101 6.0 1 1 20 acs: add 1206.01 5942.68764 5942.6665 6.0 1 1 7 acs: add 1292.89 5999.09122 5998.999 6.0 1 1 7 weak 1315.22 6013.56132 6013.678 6.0 1 1 6 1343.97 6032.16834 6032.127 6.0 1 1 170 1361.22 6043.31979 6043.223 6.0 1 1 67 1386.20 6059.46247 6059.373 6.0 1 1 33 1457.64 6105.52042 6105.635 6.0 1 1 19 1519.82 6145.50475 6145.441 6.0 1 1 18 1756.68 6296.8398 6296.872 6.0 1 1 13 1871.36 6369.54412 6369.575 6.0 1 1 9 1895.40 6384.73851 6384.717 6.0 1 1 33 1945.38 6416.27912 6416.307 6.0 1 1 164 2246.63 6604.80794 6604.853 6.0 1 1 24 2363.61 6677.27435 6677.282 6.0 1 1 434 2486.43 6752.89091 6752.834 6.0 1 1 331 2680.41 6871.29337 6871.289 6.0 1 1 316 2836.20 6965.41625 6965.431 6.0 1 1 56184 2944.48 7030.29296 7030.251 6.0 1 1 319 3006.41 7067.1829 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.15019035339356 3006.409423828125 6129.202370584428 953.603028154222 -14.57510779934476 -1.057372251382809 0.09468932946468157 -0.08471124359692221 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1046] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1046] units Angstroms features 32 28.20 5162.30402 5162.285 6.0 1 1 23 66.04 5187.6821 5187.746 6.0 1 1 31 116.17 5221.29186 5221.271 6.0 1 1 17 343.72 5373.56937 5373.494 6.0 1 1 5 415.35 5421.37679 5421.352 6.0 1 1 8 527.07 5495.78178 5495.874 6.0 1 1 43 621.92 5558.78472 5558.702 6.0 1 1 55 694.13 5606.63946 5606.733 6.0 1 1 53 819.89 5689.7304 5689.6401 6.0 1 1 8 acs: add; not Ar 895.48 5739.50783 5739.52 6.0 1 1 16 990.56 5801.93867 5802.08 6.0 1 1 8 acs: increase 1159.14 5912.10912 5912.085 6.0 1 1 47 1184.62 5928.69906 5928.8101 6.0 1 1 20 acs: add 1206.19 5942.73509 5942.6665 6.0 1 1 7 acs: add 1293.12 5999.17288 5998.999 6.0 1 1 7 weak 1315.41 6013.61252 6013.678 6.0 1 1 6 1343.96 6032.08946 6032.127 6.0 1 1 170 1361.29 6043.29354 6043.223 6.0 1 1 67 1386.17 6059.36751 6059.373 6.0 1 1 33 1457.92 6105.62456 6105.635 6.0 1 1 19 1519.87 6145.45963 6145.441 6.0 1 1 18 1756.76 6296.82147 6296.872 6.0 1 1 13 1871.59 6369.63337 6369.575 6.0 1 1 9 1895.55 6384.77862 6384.717 6.0 1 1 33 1945.40 6416.23407 6416.307 6.0 1 1 164 2246.61 6604.77642 6604.853 6.0 1 1 24 2363.61 6677.2668 6677.282 6.0 1 1 434 2486.42 6752.88379 6752.834 6.0 1 1 331 2680.40 6871.2944 6871.289 6.0 1 1 316 2836.23 6965.43858 6965.431 6.0 1 1 56184 2944.48 7030.29184 7030.251 6.0 1 1 319 3006.41 7067.17397 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.20004081726074 3006.407958984375 6129.201758159068 953.5806607577012 -14.53618410759397 -1.062103294094068 0.07342202927499332 -0.08358189200551567 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1051] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1051] units Angstroms features 32 28.22 5162.32639 5162.285 6.0 1 1 23 66.11 5187.73014 5187.746 6.0 1 1 31 116.02 5221.19244 5221.271 6.0 1 1 17 343.78 5373.59967 5373.494 6.0 1 1 5 415.32 5421.34785 5421.352 6.0 1 1 8 527.13 5495.8094 5495.874 6.0 1 1 43 621.98 5558.81415 5558.702 6.0 1 1 55 694.20 5606.67708 5606.733 6.0 1 1 53 819.83 5689.67702 5689.6401 6.0 1 1 8 acs: add; not Ar 895.44 5739.47108 5739.52 6.0 1 1 16 990.55 5801.92431 5802.08 6.0 1 1 8 acs: increase 1159.19 5912.132 5912.085 6.0 1 1 47 1184.74 5928.76913 5928.8101 6.0 1 1 20 acs: add 1206.26 5942.76958 5942.6665 6.0 1 1 7 acs: add 1293.48 5999.38963 5998.999 6.0 1 0 7 weak 1315.41 6013.59477 6013.678 6.0 1 1 6 1344.05 6032.13301 6032.127 6.0 1 1 170 1361.39 6043.33899 6043.223 6.0 1 1 67 1386.13 6059.32186 6059.373 6.0 1 1 33 1458.03 6105.684 6105.635 6.0 1 1 19 1519.93 6145.48057 6145.441 6.0 1 1 18 1756.76 6296.80256 6296.872 6.0 1 1 13 1871.53 6369.5731 6369.575 6.0 1 1 9 1895.64 6384.81675 6384.717 6.0 1 1 33 1945.45 6416.24546 6416.307 6.0 1 1 164 2246.72 6604.82161 6604.853 6.0 1 1 24 2363.59 6677.23541 6677.282 6.0 1 1 434 2486.41 6752.86484 6752.834 6.0 1 1 331 2680.43 6871.30486 6871.289 6.0 1 1 316 2836.25 6965.44304 6965.431 6.0 1 1 56184 2944.51 7030.29361 7030.251 6.0 1 1 319 3006.43 7067.17004 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.22483825683594 3006.430419921874 6129.205774254093 953.5736222698705 -14.53068199684465 -1.0636338044002 0.07312024967096295 -0.08816119137437856 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1056] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1056] units Angstroms features 32 28.23 5162.31648 5162.285 6.0 1 1 23 66.08 5187.7058 5187.746 6.0 1 1 31 116.11 5221.25365 5221.271 6.0 1 1 17 343.68 5373.53802 5373.494 6.0 1 1 5 415.36 5421.37513 5421.352 6.0 1 1 8 527.14 5495.81323 5495.874 6.0 1 1 43 621.97 5558.79376 5558.702 6.0 1 1 55 694.27 5606.70466 5606.733 6.0 1 1 53 819.85 5689.66748 5689.6401 6.0 1 1 8 acs: add; not Ar 895.40 5739.42383 5739.52 6.0 1 1 16 990.72 5802.01081 5802.08 6.0 1 1 8 acs: increase 1159.14 5912.0868 5912.085 6.0 1 1 47 1184.86 5928.83482 5928.8101 6.0 1 1 20 acs: add 1206.11 5942.65817 5942.6665 6.0 1 1 7 acs: add 1293.23 5999.22111 5998.999 6.0 1 0 7 weak 1315.47 6013.63063 6013.678 6.0 1 1 6 1344.08 6032.1464 6032.127 6.0 1 1 170 1361.40 6043.35194 6043.223 6.0 1 1 67 1386.24 6059.39765 6059.373 6.0 1 1 33 1457.94 6105.63349 6105.635 6.0 1 1 19 1519.94 6145.5022 6145.441 6.0 1 1 18 1756.62 6296.73249 6296.872 6.0 1 1 13 1871.59 6369.63424 6369.575 6.0 1 1 9 1895.39 6384.67819 6384.717 6.0 1 1 33 1945.47 6416.28026 6416.307 6.0 1 1 164 2246.86 6604.90649 6604.853 6.0 1 1 24 2363.64 6677.24903 6677.282 6.0 1 1 434 2486.45 6752.85606 6752.834 6.0 1 1 331 2680.50 6871.29071 6871.289 6.0 1 1 316 2836.28 6965.41684 6965.431 6.0 1 1 56184 2944.49 7030.26432 7030.251 6.0 1 1 319 3006.48 7067.21112 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.22717666625977 3006.48388671875 6129.21385277411 953.5774885778138 -14.53814043205388 -1.06498292517322 0.08808827095007355 -0.06518234703376851 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1061] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1061] units Angstroms features 32 28.17 5162.25528 5162.285 6.0 1 1 23 66.14 5187.73781 5187.746 6.0 1 1 31 116.26 5221.35264 5221.271 6.0 1 1 17 343.48 5373.42431 5373.494 6.0 1 1 5 415.30 5421.34912 5421.352 6.0 1 1 8 527.16 5495.83181 5495.874 6.0 1 1 43 621.92 5558.7593 5558.702 6.0 1 1 55 694.31 5606.71898 5606.733 6.0 1 1 53 819.97 5689.7272 5689.6401 6.0 1 1 8 acs: add; not Ar 895.43 5739.41906 5739.52 6.0 1 1 16 991.09 5802.22589 5802.08 6.0 1 1 8 acs: increase 1159.09 5912.02317 5912.085 6.0 1 1 47 1184.81 5928.77087 5928.8101 6.0 1 1 20 acs: add 1206.10 5942.62522 5942.6665 6.0 1 1 7 acs: add 1292.97 5999.03095 5998.999 6.0 1 1 7 weak 1315.43 6013.57886 6013.678 6.0 1 1 6 1344.06 6032.11525 6032.127 6.0 1 1 170 1361.40 6043.32819 6043.223 6.0 1 1 67 1386.27 6059.39531 6059.373 6.0 1 1 33 1457.92 6105.59915 6105.635 6.0 1 1 19 1519.95 6145.49001 6145.441 6.0 1 1 18 1756.70 6296.77985 6296.872 6.0 1 1 13 1871.77 6369.74685 6369.575 6.0 1 1 9 1895.31 6384.63024 6384.717 6.0 1 1 33 1945.45 6416.27008 6416.307 6.0 1 1 164 2246.84 6604.88428 6604.853 6.0 1 1 24 2363.73 6677.2812 6677.282 6.0 1 1 434 2486.49 6752.84493 6752.834 6.0 1 1 331 2680.54 6871.2753 6871.289 6.0 1 1 316 2836.32 6965.40044 6965.431 6.0 1 1 56184 2944.54 7030.26926 7030.251 6.0 1 1 319 3006.51 7067.22292 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.1703987121582 3006.5146484375 6129.189943663493 953.5932591422622 -14.53862192367778 -1.063618093269948 0.0877774954379362 -0.04582050042219252 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1066] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1066] units Angstroms features 32 28.24 5162.25765 5162.285 6.0 1 1 23 66.20 5187.73761 5187.746 6.0 1 1 31 116.28 5221.32344 5221.271 6.0 1 1 17 343.65 5373.50619 5373.494 6.0 1 1 5 415.33 5421.33795 5421.352 6.0 1 1 8 527.18 5495.82578 5495.874 6.0 1 1 43 621.91 5558.73562 5558.702 6.0 1 1 55 694.33 5606.72047 5606.733 6.0 1 1 53 819.88 5689.65873 5689.6401 6.0 1 1 8 acs: add; not Ar 895.43 5739.41073 5739.52 6.0 1 1 16 991.10 5802.22495 5802.08 6.0 1 1 8 acs: increase 1159.18 5912.06896 5912.085 6.0 1 1 47 1184.81 5928.75999 5928.8101 6.0 1 1 20 acs: add 1206.22 5942.68334 5942.6665 6.0 1 1 7 acs: add 1293.05 5999.06045 5998.999 6.0 1 1 7 weak 1315.51 6013.61397 6013.678 6.0 1 1 6 1344.14 6032.14169 6032.127 6.0 1 1 170 1361.44 6043.32484 6043.223 6.0 1 1 67 1386.21 6059.33253 6059.373 6.0 1 1 33 1457.91 6105.56321 6105.635 6.0 1 1 19 1519.92 6145.43731 6145.441 6.0 1 1 18 1756.82 6296.81707 6296.872 6.0 1 1 13 1871.82 6369.74079 6369.575 6.0 1 1 9 1895.44 6384.66801 6384.717 6.0 1 1 33 1945.48 6416.24571 6416.307 6.0 1 1 164 2246.85 6604.86378 6604.853 6.0 1 1 24 2363.77 6677.28784 6677.282 6.0 1 1 434 2486.49 6752.83581 6752.834 6.0 1 1 331 2680.55 6871.27871 6871.289 6.0 1 1 316 2836.35 6965.40947 6965.431 6.0 1 1 56184 2944.63 7030.29336 7030.251 6.0 1 1 319 3006.55 7067.19773 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.23512077331543 3006.5537109375 6129.196898533455 953.5876887502174 -14.54470263981573 -1.058874313448542 0.07549375544156549 -0.0587753866865279 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1071] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1071] units Angstroms features 32 28.36 5162.31171 5162.285 6.0 1 1 23 66.17 5187.68261 5187.746 6.0 1 1 31 116.28 5221.29915 5221.271 6.0 1 1 17 343.69 5373.50612 5373.494 6.0 1 1 5 415.45 5421.40071 5421.352 6.0 1 1 8 527.19 5495.8085 5495.874 6.0 1 1 43 621.99 5558.76699 5558.702 6.0 1 1 55 694.32 5606.68893 5606.733 6.0 1 1 53 819.89 5689.63361 5689.6401 6.0 1 1 8 acs: add; not Ar 895.53 5739.44247 5739.52 6.0 1 1 16 990.99 5802.11714 5802.08 6.0 1 1 8 acs: increase 1159.37 5912.1524 5912.085 6.0 1 1 47 1184.89 5928.76491 5928.8101 6.0 1 1 20 acs: add 1206.16 5942.60762 5942.6665 6.0 1 1 7 acs: add 1293.07 5999.03246 5998.999 6.0 1 1 7 weak 1315.81 6013.76366 6013.678 6.0 1 1 6 1344.16 6032.108 6032.127 6.0 1 1 170 1361.49 6043.31737 6043.223 6.0 1 1 67 1386.34 6059.36867 6059.373 6.0 1 1 33 1457.92 6105.52673 6105.635 6.0 1 1 19 1520.07 6145.48808 6145.441 6.0 1 1 18 1756.75 6296.73038 6296.872 6.0 1 1 13 1871.89 6369.73744 6369.575 6.0 1 1 9 1895.52 6384.67966 6384.717 6.0 1 1 33 1945.53 6416.23984 6416.307 6.0 1 1 164 2246.97 6604.90353 6604.853 6.0 1 1 24 2363.78 6677.26277 6677.282 6.0 1 1 434 2486.54 6752.84489 6752.834 6.0 1 1 331 2680.59 6871.28199 6871.289 6.0 1 1 316 2836.39 6965.41351 6965.431 6.0 1 1 56184 2944.61 7030.26733 7030.251 6.0 1 1 319 3006.61 7067.21451 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.36429977416992 3006.6083984375 6129.227309885514 953.5652255908464 -14.53372516472303 -1.055510543201392 0.06952918137505017 -0.05831606045708952 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1076] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1076] units Angstroms features 32 28.37 5162.29462 5162.285 6.0 1 1 23 66.23 5187.70741 5187.746 6.0 1 1 31 116.34 5221.32416 5221.271 6.0 1 1 17 343.62 5373.44549 5373.494 6.0 1 1 5 415.41 5421.35442 5421.352 6.0 1 1 8 527.25 5495.83409 5495.874 6.0 1 1 43 622.03 5558.77815 5558.702 6.0 1 1 55 694.39 5606.71639 5606.733 6.0 1 1 53 819.95 5689.65795 5689.6401 6.0 1 1 8 acs: add; not Ar 895.64 5739.49977 5739.52 6.0 1 1 16 991.04 5802.13714 5802.08 6.0 1 1 8 acs: increase 1159.39 5912.15641 5912.085 6.0 1 1 47 1184.85 5928.7302 5928.8101 6.0 1 1 20 acs: add 1206.14 5942.58474 5942.6665 6.0 1 1 7 acs: add 1292.95 5998.94444 5998.999 6.0 1 1 7 weak 1316.00 6013.88288 6013.678 6.0 1 0 6 1344.18 6032.1205 6032.127 6.0 1 1 170 1361.44 6043.28052 6043.223 6.0 1 1 67 1386.45 6059.43981 6059.373 6.0 1 1 33 1457.96 6105.5459 6105.635 6.0 1 1 19 1520.17 6145.55546 6145.441 6.0 1 1 18 1756.83 6296.77991 6296.872 6.0 1 1 13 1871.66 6369.59122 6369.575 6.0 1 1 9 1895.65 6384.75616 6384.717 6.0 1 1 33 1945.58 6416.26075 6416.307 6.0 1 1 164 2247.00 6604.90232 6604.853 6.0 1 1 24 2363.84 6677.27235 6677.282 6.0 1 1 434 2486.62 6752.85419 6752.834 6.0 1 1 331 2680.64 6871.26794 6871.289 6.0 1 1 316 2836.43 6965.40073 6965.431 6.0 1 1 56184 2944.65 7030.26672 7030.251 6.0 1 1 319 3006.64 7067.22583 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.37177085876464 3006.644287109375 6129.222303173156 953.5665035584864 -14.54166804199372 -1.05037924357397 0.07959144249043299 -0.05051737203237431 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1081] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1081] units Angstroms features 32 28.41 5162.27088 5162.285 6.0 1 1 23 66.30 5187.71102 5187.746 6.0 1 1 31 116.41 5221.33992 5221.271 6.0 1 1 17 343.63 5373.4479 5373.494 6.0 1 1 5 415.46 5421.38219 5421.352 6.0 1 1 8 527.28 5495.84271 5495.874 6.0 1 1 43 622.08 5558.80225 5558.702 6.0 1 1 55 694.42 5606.72464 5606.733 6.0 1 1 53 819.81 5689.55556 5689.6401 6.0 1 1 8 acs: add; not Ar 895.60 5739.45933 5739.52 6.0 1 1 16 991.08 5802.14294 5802.08 6.0 1 1 8 acs: increase 1159.33 5912.09821 5912.085 6.0 1 1 47 1184.81 5928.6895 5928.8101 6.0 1 1 20 acs: add 1206.22 5942.61957 5942.6665 6.0 1 1 7 acs: add 1293.14 5999.05217 5998.999 6.0 1 1 7 weak 1316.03 6013.88096 6013.678 6.0 1 1 6 1344.20 6032.11184 6032.127 6.0 1 1 170 1361.43 6043.25229 6043.223 6.0 1 1 67 1386.38 6059.37426 6059.373 6.0 1 1 33 1457.99 6105.55083 6105.635 6.0 1 1 19 1520.12 6145.50775 6145.441 6.0 1 1 18 1756.94 6296.84199 6296.872 6.0 1 1 13 1871.36 6369.39696 6369.575 6.0 1 1 9 1895.75 6384.81522 6384.717 6.0 1 1 33 1945.59 6416.26547 6416.307 6.0 1 1 164 2247.05 6604.93025 6604.853 6.0 1 1 24 2363.87 6677.2853 6677.282 6.0 1 1 434 2486.64 6752.85891 6752.834 6.0 1 1 331 2680.64 6871.25831 6871.289 6.0 1 1 316 2836.47 6965.41142 6965.431 6.0 1 1 56184 2944.64 7030.25162 7030.251 6.0 1 1 319 3006.67 7067.23153 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.40702056884766 3006.667236328125 6129.227132604648 953.5707225932137 -14.54879699243337 -1.047807533966726 0.07287271044589703 -0.04259066796800085 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1086] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1086] units Angstroms features 32 28.33 5162.24783 5162.285 6.0 1 1 23 66.29 5187.72321 5187.746 6.0 1 1 31 116.40 5221.3397 5221.271 6.0 1 1 17 343.67 5373.46138 5373.494 6.0 1 1 5 415.57 5421.44262 5421.352 6.0 1 1 8 527.25 5495.80708 5495.874 6.0 1 1 43 622.11 5558.79912 5558.702 6.0 1 1 55 694.41 5606.70003 5606.733 6.0 1 1 53 819.77 5689.50374 5689.6401 6.0 1 1 8 acs: add; not Ar 895.67 5739.47876 5739.52 6.0 1 1 16 991.16 5802.17704 5802.08 6.0 1 1 8 acs: increase 1159.34 5912.08255 5912.085 6.0 1 1 47 1184.84 5928.68791 5928.8101 6.0 1 1 20 acs: add 1206.28 5942.63631 5942.6665 6.0 1 1 7 acs: add 1293.36 5999.17329 5998.999 6.0 1 1 7 weak 1315.77 6013.68785 6013.678 6.0 1 1 6 1344.23 6032.10665 6032.127 6.0 1 1 170 1361.52 6043.29041 6043.223 6.0 1 1 67 1386.28 6059.28923 6059.373 6.0 1 1 33 1458.14 6105.62482 6105.635 6.0 1 1 19 1520.25 6145.56477 6145.441 6.0 1 1 18 1757.22 6296.99453 6296.872 6.0 1 1 13 1871.42 6369.41503 6369.575 6.0 1 1 9 1895.48 6384.6203 6384.717 6.0 1 1 33 1945.62 6416.2652 6416.307 6.0 1 1 164 2247.09 6604.9386 6604.853 6.0 1 1 24 2363.85 6677.26064 6677.282 6.0 1 1 434 2486.69 6752.87621 6752.834 6.0 1 1 331 2680.70 6871.2826 6871.289 6.0 1 1 316 2836.50 6965.41862 6965.431 6.0 1 1 56184 2944.66 7030.24112 7030.251 6.0 1 1 319 3006.70 7067.22654 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.33390045166016 3006.70361328125 6129.201297550858 953.5962053299906 -14.53781400718859 -1.058722348615826 0.0737038106443107 -0.04813061898152224 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1091] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1091] units Angstroms features 32 28.39 5162.27248 5162.285 6.0 1 1 23 66.33 5187.73074 5187.746 6.0 1 1 31 116.37 5221.29389 5221.271 6.0 1 1 17 343.86 5373.54409 5373.494 6.0 1 1 5 415.49 5421.34303 5421.352 6.0 1 1 8 527.32 5495.80511 5495.874 6.0 1 1 43 622.12 5558.76575 5558.702 6.0 1 1 55 694.46 5606.69356 5606.733 6.0 1 1 53 820.07 5689.67175 5689.6401 6.0 1 1 8 acs: add; not Ar 895.71 5739.47987 5739.52 6.0 1 1 16 991.13 5802.13574 5802.08 6.0 1 1 8 acs: increase 1159.36 5912.07655 5912.085 6.0 1 1 47 1184.92 5928.7266 5928.8101 6.0 1 1 20 acs: add 1206.21 5942.57715 5942.6665 6.0 1 1 7 acs: add 1293.44 5999.21653 5998.999 6.0 1 1 7 weak 1315.40 6013.43943 6013.678 6.0 1 1 6 1344.22 6032.09421 6032.127 6.0 1 1 170 1361.57 6043.31594 6043.223 6.0 1 1 67 1386.35 6059.32989 6059.373 6.0 1 1 33 1458.31 6105.73002 6105.635 6.0 1 1 19 1520.34 6145.62198 6145.441 6.0 1 1 18 1757.00 6296.85285 6296.872 6.0 1 1 13 1871.60 6369.52535 6369.575 6.0 1 1 9 1895.46 6384.60922 6384.717 6.0 1 1 33 1945.68 6416.29605 6416.307 6.0 1 1 164 2247.05 6604.90273 6604.853 6.0 1 1 24 2363.88 6677.26482 6677.282 6.0 1 1 434 2486.73 6752.88663 6752.834 6.0 1 1 331 2680.71 6871.26856 6871.289 6.0 1 1 316 2836.54 6965.41504 6965.431 6.0 1 1 56184 2944.75 7030.26258 7030.251 6.0 1 1 319 3006.75 7067.21556 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.39308738708496 3006.747802734375 6129.211215902248 953.5925146129532 -14.54951414052798 -1.069865707184819 0.08231780238281538 -0.05110460169981854 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1096] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1096] units Angstroms features 32 28.53 5162.3073 5162.285 6.0 1 1 23 66.41 5187.74661 5187.746 6.0 1 1 31 116.34 5221.25274 5221.271 6.0 1 1 17 344.36 5373.89596 5373.494 6.0 1 0 5 415.38 5421.2907 5421.352 6.0 1 1 8 527.36 5495.85296 5495.874 6.0 1 1 43 622.17 5558.80602 5558.702 6.0 1 1 55 694.46 5606.6923 5606.733 6.0 1 1 53 820.20 5689.74514 5689.6401 6.0 1 1 8 acs: add; not Ar 895.74 5739.48159 5739.52 6.0 1 1 16 991.16 5802.12618 5802.08 6.0 1 1 8 acs: increase 1159.37 5912.04796 5912.085 6.0 1 1 47 1185.00 5928.73851 5928.8101 6.0 1 1 20 acs: add 1206.12 5942.47839 5942.6665 6.0 1 1 7 acs: add 1293.41 5999.14865 5998.999 6.0 1 1 7 weak 1315.83 6013.67463 6013.678 6.0 1 1 6 1344.23 6032.05803 6032.127 6.0 1 1 170 1361.61 6043.29951 6043.223 6.0 1 1 67 1386.50 6059.38141 6059.373 6.0 1 1 33 1458.20 6105.617 6105.635 6.0 1 1 19 1520.30 6145.55397 6145.441 6.0 1 1 18 1756.96 6296.79094 6296.872 6.0 1 1 13 1871.90 6369.67964 6369.575 6.0 1 1 9 1895.58 6384.65313 6384.717 6.0 1 1 33 1945.66 6416.25971 6416.307 6.0 1 1 164 2247.06 6604.88346 6604.853 6.0 1 1 24 2363.94 6677.27407 6677.282 6.0 1 1 434 2486.76 6752.87303 6752.834 6.0 1 1 331 2680.76 6871.26004 6871.289 6.0 1 1 316 2836.59 6965.41154 6965.431 6.0 1 1 56184 2944.76 7030.2525 7030.251 6.0 1 1 319 3006.79 7067.23203 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.52597999572754 3006.786865234375 6129.245446239102 953.5530044172588 -14.54332585205347 -1.055809317042089 0.06754300494042803 -0.03482809918654558 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1101] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1101] units Angstroms features 32 28.48 5162.26642 5162.285 6.0 1 1 23 66.48 5187.75531 5187.746 6.0 1 1 31 116.38 5221.21642 5221.271 6.0 1 1 17 344.30 5373.7397 5373.494 6.0 1 1 5 415.54 5421.28149 5421.352 6.0 1 1 8 527.44 5495.80015 5495.874 6.0 1 1 43 622.22 5558.75179 5558.702 6.0 1 1 55 694.47 5606.62668 5606.733 6.0 1 1 53 820.13 5689.64766 5689.6401 6.0 1 1 8 acs: add; not Ar 895.78 5739.46755 5739.52 6.0 1 1 16 991.10 5802.05936 5802.08 6.0 1 1 8 acs: increase 1159.47 5912.09666 5912.085 6.0 1 1 47 1184.99 5928.71314 5928.8101 6.0 1 1 20 acs: add 1206.26 5942.55151 5942.6665 6.0 1 1 7 acs: add 1293.38 5999.11402 5998.999 6.0 1 1 7 weak 1316.21 6013.90813 6013.678 6.0 1 1 6 1344.36 6032.12246 6032.127 6.0 1 1 170 1361.63 6043.29487 6043.223 6.0 1 1 67 1386.50 6059.35704 6059.373 6.0 1 1 33 1458.13 6105.54557 6105.635 6.0 1 1 19 1520.36 6145.56495 6145.441 6.0 1 1 18 1756.98 6296.75634 6296.872 6.0 1 1 13 1871.99 6369.68148 6369.575 6.0 1 1 9 1895.62 6384.61762 6384.717 6.0 1 1 33 1945.69 6416.21251 6416.307 6.0 1 1 164 2247.15 6604.8845 6604.853 6.0 1 1 24 2364.00 6677.26872 6677.282 6.0 1 1 434 2486.81 6752.87726 6752.834 6.0 1 1 331 2680.82 6871.29748 6871.289 6.0 1 1 316 2836.64 6965.43815 6965.431 6.0 1 1 56184 2944.75 7030.22294 7030.251 6.0 1 1 319 3006.84 7067.22583 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.4781436920166 3006.844970703125 6129.202544739429 953.6119146848027 -14.54172941867816 -1.063024400773466 0.08530885294385136 -0.06918734240914483 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1106] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1106] units Angstroms features 32 28.52 5162.30612 5162.285 6.0 1 1 23 66.40 5187.71413 5187.746 6.0 1 1 31 116.43 5221.25016 5221.271 6.0 1 1 17 344.05 5373.55805 5373.494 6.0 1 1 5 415.69 5421.36826 5421.352 6.0 1 1 8 527.51 5495.84065 5495.874 6.0 1 1 43 622.29 5558.79574 5558.702 6.0 1 1 55 694.53 5606.66613 5606.733 6.0 1 1 53 819.99 5689.55532 5689.6401 6.0 1 1 8 acs: add; not Ar 895.82 5739.49927 5739.52 6.0 1 1 16 991.15 5802.09829 5802.08 6.0 1 1 8 acs: increase 1159.48 5912.10445 5912.085 6.0 1 1 47 1185.03 5928.74347 5928.8101 6.0 1 1 20 acs: add 1206.34 5942.60762 5942.6665 6.0 1 1 7 acs: add 1293.35 5999.10034 5998.999 6.0 1 1 7 weak 1315.77 6013.62022 6013.678 6.0 1 1 6 1344.43 6032.1696 6032.127 6.0 1 1 170 1361.67 6043.31797 6043.223 6.0 1 1 67 1386.55 6059.38621 6059.373 6.0 1 1 33 1458.17 6105.56703 6105.635 6.0 1 1 19 1520.44 6145.6005 6145.441 6.0 1 1 18 1757.03 6296.75792 6296.872 6.0 1 1 13 1871.92 6369.59695 6369.575 6.0 1 1 9 1895.79 6384.68317 6384.717 6.0 1 1 33 1945.79 6416.23148 6416.307 6.0 1 1 164 2247.35 6604.95208 6604.853 6.0 1 1 24 2364.06 6677.2431 6677.282 6.0 1 1 434 2486.84 6752.83445 6752.834 6.0 1 1 331 2680.94 6871.3092 6871.289 6.0 1 1 316 2836.70 6965.43167 6965.431 6.0 1 1 56184 2944.79 7030.21695 7030.251 6.0 1 1 319 3006.91 7067.2372 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.5152587890625 3006.90966796875 6129.212441965898 953.5906629698533 -14.53977326838683 -1.049764555970521 0.0989902234611216 -0.0753586111381907 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1111] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1111] units Angstroms features 32 28.58 5162.32819 5162.285 6.0 1 1 23 66.40 5187.68937 5187.746 6.0 1 1 31 116.49 5221.27016 5221.271 6.0 1 1 17 344.03 5373.52034 5373.494 6.0 1 1 5 415.72 5421.3633 5421.352 6.0 1 1 8 527.54 5495.8293 5495.874 6.0 1 1 43 622.30 5558.77694 5558.702 6.0 1 1 55 694.61 5606.69333 5606.733 6.0 1 1 53 819.96 5689.51499 5689.6401 6.0 1 1 8 acs: add; not Ar 895.91 5739.53223 5739.52 6.0 1 1 16 991.53 5802.32581 5802.08 6.0 1 1 8 acs: increase 1159.44 5912.06238 5912.085 6.0 1 1 47 1185.12 5928.78536 5928.8101 6.0 1 1 20 acs: add 1206.25 5942.53268 5942.6665 6.0 1 1 7 acs: add 1293.12 5998.93318 5998.999 6.0 1 1 7 weak 1315.50 6013.42962 6013.678 6.0 1 1 6 1344.47 6032.18276 6032.127 6.0 1 1 170 1361.77 6043.36379 6043.223 6.0 1 1 67 1386.62 6059.42318 6059.373 6.0 1 1 33 1458.32 6105.6519 6105.635 6.0 1 1 19 1520.52 6145.64183 6145.441 6.0 1 1 18 1757.07 6296.77485 6296.872 6.0 1 1 13 1871.91 6369.57882 6369.575 6.0 1 1 9 1895.79 6384.67547 6384.717 6.0 1 1 33 1945.87 6416.27033 6416.307 6.0 1 1 164 2247.41 6604.96015 6604.853 6.0 1 1 24 2364.12 6677.24855 6677.282 6.0 1 1 434 2486.86 6752.81022 6752.834 6.0 1 1 331 2681.01 6871.30415 6871.289 6.0 1 1 316 2836.75 6965.40957 6965.431 6.0 1 1 56184 2944.97 7030.26628 7030.251 6.0 1 1 319 3006.96 7067.21468 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.5787467956543 3006.96484375 6129.220464470723 953.5712681487791 -14.55328952266921 -1.055322445861279 0.1042596428169112 -0.07269956888308586 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1116] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1116] units Angstroms features 32 28.63 5162.29362 5162.285 6.0 1 1 23 66.50 5187.70434 5187.746 6.0 1 1 31 116.61 5221.30345 5221.271 6.0 1 1 17 344.04 5373.49635 5373.494 6.0 1 1 5 415.83 5421.4045 5421.352 6.0 1 1 8 527.56 5495.80534 5495.874 6.0 1 1 43 622.33 5558.74051 5558.702 6.0 1 1 55 694.65 5606.66033 5606.733 6.0 1 1 53 820.31 5689.67509 5689.6401 6.0 1 1 8 acs: add; not Ar 895.94 5739.47692 5739.52 6.0 1 1 16 991.51 5802.23025 5802.08 6.0 1 1 8 acs: increase 1159.57 5912.07001 5912.085 6.0 1 1 47 1185.21 5928.76874 5928.8101 6.0 1 1 20 acs: add 1206.32 5942.50498 5942.6665 6.0 1 1 7 acs: add 1293.25 5998.94339 5998.999 6.0 1 1 7 weak 1316.06 6013.72162 6013.678 6.0 1 1 6 1344.51 6032.13928 6032.127 6.0 1 1 170 1361.79 6043.31199 6043.223 6.0 1 1 67 1386.71 6059.41427 6059.373 6.0 1 1 33 1458.34 6105.60395 6105.635 6.0 1 1 19 1520.47 6145.55604 6145.441 6.0 1 1 18 1757.06 6296.73626 6296.872 6.0 1 1 13 1872.07 6369.66185 6369.575 6.0 1 1 9 1895.83 6384.68232 6384.717 6.0 1 1 33 1945.89 6416.27278 6416.307 6.0 1 1 164 2247.31 6604.89346 6604.853 6.0 1 1 24 2364.14 6677.25708 6677.282 6.0 1 1 434 2486.97 6752.86047 6752.834 6.0 1 1 331 2681.02 6871.28214 6871.289 6.0 1 1 316 2836.81 6965.40435 6965.431 6.0 1 1 56184 2945.07 7030.2801 7030.251 6.0 1 1 319 3007.03 7067.20791 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.62924003601074 3007.029052734375 6129.215627149788 953.5854391397616 -14.55543783226881 -1.072096948774827 0.09057595318915184 -0.05619976633445936 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1121] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1121] units Angstroms features 32 28.64 5162.2662 5162.285 6.0 1 1 23 66.56 5187.70311 5187.746 6.0 1 1 31 116.72 5221.34463 5221.271 6.0 1 1 17 344.05 5373.48019 5373.494 6.0 1 1 5 415.84 5421.38706 5421.352 6.0 1 1 8 527.62 5495.82082 5495.874 6.0 1 1 43 622.42 5558.78057 5558.702 6.0 1 1 55 694.71 5606.67855 5606.733 6.0 1 1 53 820.39 5689.70639 5689.6401 6.0 1 1 8 acs: add; not Ar 895.93 5739.4499 5739.52 6.0 1 1 16 991.23 5802.02281 5802.08 6.0 1 1 8 acs: increase 1159.67 5912.10611 5912.085 6.0 1 1 47 1185.26 5928.76761 5928.8101 6.0 1 1 20 acs: add 1206.52 5942.59682 5942.6665 6.0 1 1 7 acs: add 1293.54 5999.09907 5998.999 6.0 1 1 7 weak 1316.52 6013.98386 6013.678 6.0 1 0 6 1344.54 6032.11977 6032.127 6.0 1 1 170 1361.81 6043.28304 6043.223 6.0 1 1 67 1386.82 6059.44398 6059.373 6.0 1 1 33 1458.34 6105.55952 6105.635 6.0 1 1 19 1520.45 6145.50017 6145.441 6.0 1 1 18 1757.26 6296.81028 6296.872 6.0 1 1 13 1872.16 6369.66998 6369.575 6.0 1 1 9 1895.92 6384.6832 6384.717 6.0 1 1 33 1945.94 6416.25132 6416.307 6.0 1 1 164 2247.23 6604.8035 6604.853 6.0 1 1 24 2364.22 6677.27155 6677.282 6.0 1 1 434 2487.08 6752.90224 6752.834 6.0 1 1 331 2681.07 6871.28926 6871.289 6.0 1 1 316 2836.87 6965.41284 6965.431 6.0 1 1 56184 2945.12 7030.27285 7030.251 6.0 1 1 319 3007.09 7067.20236 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.64304733276367 3007.093505859375 6129.205818093186 953.5975163597637 -14.55274890192179 -1.066482148576921 0.08121029133843493 -0.0629556199431107 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1126] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1126] units Angstroms features 32 28.72 5162.27665 5162.285 6.0 1 1 23 66.57 5187.67375 5187.746 6.0 1 1 31 116.71 5221.2976 5221.271 6.0 1 1 17 344.40 5373.67205 5373.494 6.0 1 1 5 415.84 5421.34563 5421.352 6.0 1 1 8 527.74 5495.85895 5495.874 6.0 1 1 43 622.44 5558.75023 5558.702 6.0 1 1 55 694.77 5606.67521 5606.733 6.0 1 1 53 820.11 5689.47526 5689.6401 6.0 1 1 8 acs: add; not Ar 895.93 5739.40882 5739.52 6.0 1 1 16 991.45 5802.12228 5802.08 6.0 1 1 8 acs: increase 1159.68 5912.06575 5912.085 6.0 1 1 47 1185.32 5928.7658 5928.8101 6.0 1 1 20 acs: add 1206.53 5942.5643 5942.6665 6.0 1 1 7 acs: add 1293.64 5999.12401 5998.999 6.0 1 1 7 weak 1316.38 6013.85601 6013.678 6.0 1 1 6 1344.60 6032.11775 6032.127 6.0 1 1 170 1361.89 6043.30077 6043.223 6.0 1 1 67 1386.82 6059.40805 6059.373 6.0 1 1 33 1458.43 6105.58027 6105.635 6.0 1 1 19 1520.66 6145.60041 6145.441 6.0 1 1 18 1757.29 6296.80832 6296.872 6.0 1 1 13 1871.78 6369.41376 6369.575 6.0 1 1 9 1895.98 6384.70613 6384.717 6.0 1 1 33 1946.02 6416.28543 6416.307 6.0 1 1 164 2247.26 6604.81935 6604.853 6.0 1 1 24 2364.29 6677.31284 6677.282 6.0 1 1 434 2487.09 6752.90355 6752.834 6.0 1 1 331 2681.08 6871.28569 6871.289 6.0 1 1 316 2836.93 6965.41999 6965.431 6.0 1 1 56184 2945.23 7030.29077 7030.251 6.0 1 1 319 3007.16 7067.17831 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.71590614318847 3007.15625 6129.21706837102 953.5993046814861 -14.56214120553269 -1.084664338536047 0.07255261353642762 -0.0638111027288269 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1131] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1131] units Angstroms features 32 28.80 5162.29804 5162.285 6.0 1 1 23 66.58 5187.65348 5187.746 6.0 1 1 31 116.76 5221.31387 5221.271 6.0 1 1 17 344.28 5373.59804 5373.494 6.0 1 1 5 415.87 5421.36548 5421.352 6.0 1 1 8 527.78 5495.88527 5495.874 6.0 1 1 43 622.43 5558.74089 5558.702 6.0 1 1 55 694.80 5606.68552 5606.733 6.0 1 1 53 820.11 5689.45569 5689.6401 6.0 1 1 8 acs: add; not Ar 896.03 5739.44051 5739.52 6.0 1 1 16 991.66 5802.22509 5802.08 6.0 1 1 8 acs: increase 1159.72 5912.04147 5912.085 6.0 1 1 47 1185.44 5928.79065 5928.8101 6.0 1 1 20 acs: add 1206.40 5942.43022 5942.6665 6.0 1 1 7 acs: add 1293.89 5999.22624 5998.999 6.0 1 1 7 weak 1316.42 6013.82649 6013.678 6.0 1 1 6 1344.65 6032.09788 6032.127 6.0 1 1 170 1361.94 6043.27685 6043.223 6.0 1 1 67 1386.84 6059.36313 6059.373 6.0 1 1 33 1458.49 6105.56512 6105.635 6.0 1 1 19 1520.75 6145.59734 6145.441 6.0 1 1 18 1757.44 6296.85088 6296.872 6.0 1 1 13 1871.94 6369.46023 6369.575 6.0 1 1 9 1896.06 6384.71233 6384.717 6.0 1 1 33 1946.08 6416.27924 6416.307 6.0 1 1 164 2247.29 6604.80663 6604.853 6.0 1 1 24 2364.32 6677.30585 6677.282 6.0 1 1 434 2487.09 6752.88218 6752.834 6.0 1 1 331 2681.13 6871.29302 6871.289 6.0 1 1 316 2837.01 6965.44125 6965.431 6.0 1 1 56184 2945.23 7030.26486 7030.251 6.0 1 1 319 3007.23 7067.18996 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.80093383789062 3007.226074218751 6129.239206773547 953.5837114019539 -14.54937064510405 -1.079839695177159 0.05416447295821877 -0.05790883663109265 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1136] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1136] units Angstroms features 32 28.82 5162.26764 5162.285 6.0 1 1 23 66.63 5187.66373 5187.746 6.0 1 1 31 116.89 5221.3901 5221.271 6.0 1 1 17 344.10 5373.47757 5373.494 6.0 1 1 5 415.86 5421.36419 5421.352 6.0 1 1 8 527.78 5495.87366 5495.874 6.0 1 1 43 622.52 5558.78091 5558.702 6.0 1 1 55 694.88 5606.71227 5606.733 6.0 1 1 53 820.31 5689.55237 5689.6401 6.0 1 1 8 acs: add; not Ar 896.07 5739.42417 5739.52 6.0 1 1 16 991.56 5802.11301 5802.08 6.0 1 1 8 acs: increase 1159.78 5912.03762 5912.085 6.0 1 1 47 1185.49 5928.77726 5928.8101 6.0 1 1 20 acs: add 1206.36 5942.35442 5942.6665 6.0 1 0 7 acs: add 1293.85 5999.15394 5998.999 6.0 1 1 7 weak 1316.50 6013.83262 6013.678 6.0 1 1 6 1344.68 6032.07214 6032.127 6.0 1 1 170 1361.96 6043.24665 6043.223 6.0 1 1 67 1386.90 6059.35847 6059.373 6.0 1 1 33 1458.49 6105.52703 6105.635 6.0 1 1 19 1520.67 6145.51333 6145.441 6.0 1 1 18 1757.46 6296.84314 6296.872 6.0 1 1 13 1872.07 6369.52545 6369.575 6.0 1 1 9 1896.10 6384.71834 6384.717 6.0 1 1 33 1946.13 6416.29518 6416.307 6.0 1 1 164 2247.35 6604.81641 6604.853 6.0 1 1 24 2364.39 6677.30816 6677.282 6.0 1 1 434 2487.17 6752.87969 6752.834 6.0 1 1 331 2681.21 6871.28248 6871.289 6.0 1 1 316 2837.07 6965.42636 6965.431 6.0 1 1 56184 2945.24 7030.2397 7030.251 6.0 1 1 319 3007.30 7067.22363 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.81501007080078 3007.30078125 6129.237390973312 953.5896203639655 -14.54589259854033 -1.076225273941498 0.05413565818822099 -0.03540368484916546 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1141] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1141] units Angstroms features 32 28.93 5162.29071 5162.285 6.0 1 1 23 66.79 5187.68973 5187.746 6.0 1 1 31 116.91 5221.30947 5221.271 6.0 1 1 17 344.47 5373.61134 5373.494 6.0 1 1 5 415.91 5421.28698 5421.352 6.0 1 1 8 527.84 5495.82806 5495.874 6.0 1 1 43 622.58 5558.74673 5558.702 6.0 1 1 55 694.93 5606.69335 5606.733 6.0 1 1 53 820.33 5689.53718 5689.6401 6.0 1 1 8 acs: add; not Ar 896.16 5739.47695 5739.52 6.0 1 1 16 991.76 5802.25188 5802.08 6.0 1 1 8 acs: increase 1159.85 5912.10867 5912.085 6.0 1 1 47 1185.53 5928.83229 5928.8101 6.0 1 1 20 acs: add 1206.36 5942.38589 5942.6665 6.0 1 0 7 acs: add 1293.26 5998.8078 5998.999 6.0 1 1 7 weak 1316.70 6013.99137 6013.678 6.0 1 0 6 1344.71 6032.12646 6032.127 6.0 1 1 170 1362.04 6043.33231 6043.223 6.0 1 1 67 1386.99 6059.44726 6059.373 6.0 1 1 33 1458.61 6105.63239 6105.635 6.0 1 1 19 1520.47 6145.40739 6145.441 6.0 1 1 18 1757.45 6296.83089 6296.872 6.0 1 1 13 1872.16 6369.56108 6369.575 6.0 1 1 9 1896.12 6384.7071 6384.717 6.0 1 1 33 1946.26 6416.34474 6416.307 6.0 1 1 164 2247.45 6604.80979 6604.853 6.0 1 1 24 2364.52 6677.31042 6677.282 6.0 1 1 434 2487.29 6752.87351 6752.834 6.0 1 1 331 2681.32 6871.27596 6871.289 6.0 1 1 316 2837.13 6965.41053 6965.431 6.0 1 1 56184 2945.32 7030.25099 7030.251 6.0 1 1 319 3007.36 7067.22727 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.93472862243652 3007.359130859375 6129.244953370032 953.5826437848387 -14.57967102418488 -1.059471997146289 0.09370632140915942 -0.05489460811368858 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1146] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1146] units Angstroms features 32 28.99 5162.28717 5162.285 6.0 1 1 23 66.91 5187.72056 5187.746 6.0 1 1 31 116.95 5221.26625 5221.271 6.0 1 1 17 344.61 5373.62856 5373.494 6.0 1 1 5 416.05 5421.309 5421.352 6.0 1 1 8 527.91 5495.81719 5495.874 6.0 1 1 43 622.64 5558.7422 5558.702 6.0 1 1 55 694.94 5606.66125 5606.733 6.0 1 1 53 820.40 5689.56009 5689.6401 6.0 1 1 8 acs: add; not Ar 896.28 5739.5322 5739.52 6.0 1 1 16 991.75 5802.22357 5802.08 6.0 1 1 8 acs: increase 1159.90 5912.11445 5912.085 6.0 1 1 47 1185.54 5928.80935 5928.8101 6.0 1 1 20 acs: add 1206.46 5942.42128 5942.6665 6.0 1 1 7 acs: add 1293.45 5998.89424 5998.999 6.0 1 1 7 weak 1316.64 6013.91973 6013.678 6.0 1 1 6 1344.76 6032.11532 6032.127 6.0 1 1 170 1362.14 6043.35151 6043.223 6.0 1 1 67 1387.02 6059.42648 6059.373 6.0 1 1 33 1458.68 6105.62618 6105.635 6.0 1 1 19 1520.42 6145.3226 6145.441 6.0 1 1 18 1757.53 6296.80229 6296.872 6.0 1 1 13 1872.41 6369.63714 6369.575 6.0 1 1 9 1896.34 6384.75835 6384.717 6.0 1 1 33 1946.28 6416.26661 6416.307 6.0 1 1 164 2247.55 6604.80702 6604.853 6.0 1 1 24 2364.59 6677.30448 6677.282 6.0 1 1 434 2487.32 6752.8628 6752.834 6.0 1 1 331 2681.32 6871.26769 6871.289 6.0 1 1 316 2837.20 6965.44304 6965.431 6.0 1 1 56184 2945.38 7030.25658 7030.251 6.0 1 1 319 3007.41 7067.20852 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.99339294433594 3007.414794921876 6129.233856775454 953.5925576545297 -14.5744094566798 -1.049550120753122 0.08839866343124312 -0.08233406587016764 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1151] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1151] units Angstroms features 32 28.95 5162.25891 5162.285 6.0 1 1 23 66.93 5187.72582 5187.746 6.0 1 1 31 117.02 5221.29621 5221.271 6.0 1 1 17 344.67 5373.63135 5373.494 6.0 1 1 5 416.11 5421.30987 5421.352 6.0 1 1 8 527.95 5495.80133 5495.874 6.0 1 1 43 622.69 5558.74251 5558.702 6.0 1 1 55 695.00 5606.66534 5606.733 6.0 1 1 53 820.64 5689.67973 5689.6401 6.0 1 1 8 acs: add; not Ar 896.30 5739.50582 5739.52 6.0 1 1 16 991.44 5801.97623 5802.08 6.0 1 1 8 acs: increase 1160.00 5912.13268 5912.085 6.0 1 1 47 1185.63 5928.82632 5928.8101 6.0 1 1 20 acs: add 1206.78 5942.58043 5942.6665 6.0 1 1 7 acs: add 1293.84 5999.09798 5998.999 6.0 1 1 7 weak 1316.40 6013.70965 6013.678 6.0 1 1 6 1344.83 6032.11163 6032.127 6.0 1 1 170 1362.16 6043.31234 6043.223 6.0 1 1 67 1387.07 6059.40635 6059.373 6.0 1 1 33 1458.68 6105.57145 6105.635 6.0 1 1 19 1520.73 6145.46514 6145.441 6.0 1 1 18 1757.56 6296.76556 6296.872 6.0 1 1 13 1872.49 6369.63247 6369.575 6.0 1 1 9 1896.46 6384.77796 6384.717 6.0 1 1 33 1946.25 6416.1978 6416.307 6.0 1 1 164 2247.73 6604.88204 6604.853 6.0 1 1 24 2364.57 6677.26101 6677.282 6.0 1 1 434 2487.33 6752.8499 6752.834 6.0 1 1 331 2681.35 6871.27254 6871.289 6.0 1 1 316 2837.27 6965.45863 6965.431 6.0 1 1 56184 2945.48 7030.27048 7030.251 6.0 1 1 319 3007.49 7067.18821 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 28.9541072845459 3007.487304687501 6129.207718379884 953.6195058429661 -14.56407295430245 -1.060328177327007 0.079911313886932 -0.09452830849491002 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1156] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1156] units Angstroms features 32 29.10 5162.31116 5162.285 6.0 1 1 23 66.90 5187.66967 5187.746 6.0 1 1 31 117.05 5221.30051 5221.271 6.0 1 1 17 344.67 5373.62754 5373.494 6.0 1 1 5 416.09 5421.28923 5421.352 6.0 1 1 8 527.98 5495.80236 5495.874 6.0 1 1 43 622.76 5558.74582 5558.702 6.0 1 1 55 695.10 5606.68196 5606.733 6.0 1 1 53 820.68 5689.6435 5689.6401 6.0 1 1 8 acs: add; not Ar 896.41 5739.50977 5739.52 6.0 1 1 16 991.78 5802.12656 5802.08 6.0 1 1 8 acs: increase 1160.08 5912.10895 5912.085 6.0 1 1 47 1185.59 5928.72077 5928.8101 6.0 1 1 20 acs: add 1206.91 5942.58949 5942.6665 6.0 1 1 7 acs: add 1294.02 5999.14525 5998.999 6.0 1 1 7 weak 1316.43 6013.65885 6013.678 6.0 1 1 6 1344.93 6032.10538 6032.127 6.0 1 1 170 1362.20 6043.27526 6043.223 6.0 1 1 67 1387.12 6059.36838 6059.373 6.0 1 1 33 1458.83 6105.60884 6105.635 6.0 1 1 19 1520.94 6145.54231 6145.441 6.0 1 1 18 1757.55 6296.72688 6296.872 6.0 1 1 13 1872.48 6369.59426 6369.575 6.0 1 1 9 1896.44 6384.73831 6384.717 6.0 1 1 33 1946.42 6416.28053 6416.307 6.0 1 1 164 2247.83 6604.90346 6604.853 6.0 1 1 24 2364.67 6677.27869 6677.282 6.0 1 1 434 2487.40 6752.82807 6752.834 6.0 1 1 331 2681.48 6871.27534 6871.289 6.0 1 1 316 2837.34 6965.43222 6965.431 6.0 1 1 56184 2945.56 7030.26897 7030.251 6.0 1 1 319 3007.56 7067.20538 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 29.10281372070313 3007.559326171875 6129.235059902947 953.5771148377584 -14.55505811549639 -1.063352551821284 0.07826791699605433 -0.06664922168089 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1161] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1161] units Angstroms features 32 29.18 5162.33629 5162.285 6.0 1 1 23 66.96 5187.6835 5187.746 6.0 1 1 31 117.00 5221.23824 5221.271 6.0 1 1 17 344.73 5373.62412 5373.494 6.0 1 1 5 416.23 5421.33276 5421.352 6.0 1 1 8 528.08 5495.8037 5495.874 6.0 1 1 43 622.88 5558.76224 5558.702 6.0 1 1 55 695.19 5606.67383 5606.733 6.0 1 1 53 820.69 5689.58294 5689.6401 6.0 1 1 8 acs: add; not Ar 896.50 5739.499 5739.52 6.0 1 1 16 992.01 5802.21478 5802.08 6.0 1 1 8 acs: increase 1160.09 5912.06445 5912.085 6.0 1 1 47 1185.54 5928.63628 5928.8101 6.0 1 1 20 acs: add 1207.01 5942.60558 5942.6665 6.0 1 1 7 acs: add 1294.17 5999.19714 5998.999 6.0 1 1 7 weak 1316.45 6013.63706 6013.678 6.0 1 1 6 1345.03 6032.13219 6032.127 6.0 1 1 170 1362.29 6043.29539 6043.223 6.0 1 1 67 1387.18 6059.37411 6059.373 6.0 1 1 33 1458.83 6105.57595 6105.635 6.0 1 1 19 1521.01 6145.56373 6145.441 6.0 1 1 18 1757.75 6296.83441 6296.872 6.0 1 1 13 1872.27 6369.44514 6369.575 6.0 1 1 9 1896.44 6384.72317 6384.717 6.0 1 1 33 1946.51 6416.31788 6416.307 6.0 1 1 164 2247.90 6604.91157 6604.853 6.0 1 1 24 2364.75 6677.28361 6677.282 6.0 1 1 434 2487.51 6752.84022 6752.834 6.0 1 1 331 2681.61 6871.27993 6871.289 6.0 1 1 316 2837.43 6965.41401 6965.431 6.0 1 1 56184 2945.65 7030.2664 7030.251 6.0 1 1 319 3007.63 7067.2141 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 29.17994689941407 3007.63330078125 6129.238449888191 953.5671134305456 -14.558005618471 -1.075001756588857 0.09475043337326232 -0.05320702134964473 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1166] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1166] units Angstroms features 32 29.13 5162.26195 5162.285 6.0 1 1 23 67.08 5187.72257 5187.746 6.0 1 1 31 117.13 5221.28572 5221.271 6.0 1 1 17 344.75 5373.60222 5373.494 6.0 1 1 5 416.36 5421.38005 5421.352 6.0 1 1 8 528.14 5495.81454 5495.874 6.0 1 1 43 622.90 5558.7465 5558.702 6.0 1 1 55 695.26 5606.68897 5606.733 6.0 1 1 53 820.69 5689.55555 5689.6401 6.0 1 1 8 acs: add; not Ar 896.47 5739.45768 5739.52 6.0 1 1 16 991.82 5802.06811 5802.08 6.0 1 1 8 acs: increase 1160.14 5912.07443 5912.085 6.0 1 1 47 1185.73 5928.73825 5928.8101 6.0 1 1 20 acs: add 1207.01 5942.58632 5942.6665 6.0 1 1 7 acs: add 1294.26 5999.23704 5998.999 6.0 1 1 7 weak 1316.55 6013.67576 6013.678 6.0 1 1 6 1345.12 6032.17208 6032.127 6.0 1 1 170 1362.37 6043.3274 6043.223 6.0 1 1 67 1387.29 6059.4231 6059.373 6.0 1 1 33 1458.79 6105.53252 6105.635 6.0 1 1 19 1521.06 6145.5765 6145.441 6.0 1 1 18 1757.68 6296.77073 6296.872 6.0 1 1 13 1872.20 6369.38518 6369.575 6.0 1 1 9 1896.43 6384.69819 6384.717 6.0 1 1 33 1946.55 6416.32122 6416.307 6.0 1 1 164 2248.03 6604.96476 6604.853 6.0 1 1 24 2364.81 6677.28782 6677.282 6.0 1 1 434 2487.57 6752.83759 6752.834 6.0 1 1 331 2681.68 6871.28195 6871.289 6.0 1 1 316 2837.50 6965.41265 6965.431 6.0 1 1 56184 2945.72 7030.26169 7030.251 6.0 1 1 319 3007.72 7067.21465 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 29.1270751953125 3007.719970703126 6129.213740540913 953.6066112503354 -14.57215324203932 -1.077172737009262 0.09671193405437578 -0.0530905426546922 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1171] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1171] units Angstroms features 32 29.20 5162.27182 5162.285 6.0 1 1 23 67.07 5187.68739 5187.746 6.0 1 1 31 117.27 5221.34953 5221.271 6.0 1 1 17 344.66 5373.52476 5373.494 6.0 1 1 5 416.33 5421.3482 5421.352 6.0 1 1 8 528.21 5495.84548 5495.874 6.0 1 1 43 622.98 5558.77886 5558.702 6.0 1 1 55 695.25 5606.66633 5606.733 6.0 1 1 53 820.79 5689.5932 5689.6401 6.0 1 1 8 acs: add; not Ar 896.49 5739.44545 5739.52 6.0 1 1 16 991.94 5802.11678 5802.08 6.0 1 1 8 acs: increase 1160.36 5912.18135 5912.085 6.0 1 1 47 1185.81 5928.75844 5928.8101 6.0 1 1 20 acs: add 1207.16 5942.64715 5942.6665 6.0 1 1 7 acs: add 1294.01 5999.03732 5998.999 6.0 1 1 7 weak 1316.55 6013.6435 6013.678 6.0 1 1 6 1345.16 6032.15936 6032.127 6.0 1 1 170 1362.40 6043.30939 6043.223 6.0 1 1 67 1387.30 6059.39616 6059.373 6.0 1 1 33 1458.86 6105.53897 6105.635 6.0 1 1 19 1521.03 6145.51701 6145.441 6.0 1 1 18 1757.79 6296.79815 6296.872 6.0 1 1 13 1872.53 6369.55319 6369.575 6.0 1 1 9 1896.48 6384.68946 6384.717 6.0 1 1 33 1946.58 6416.30113 6416.307 6.0 1 1 164 2247.97 6604.88683 6604.853 6.0 1 1 24 2364.91 6677.31311 6677.282 6.0 1 1 434 2487.62 6752.83319 6752.834 6.0 1 1 331 2681.74 6871.27912 6871.289 6.0 1 1 316 2837.57 6965.41417 6965.431 6.0 1 1 56184 2945.78 7030.25945 7030.251 6.0 1 1 319 3007.79 7067.21942 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 29.19679260253906 3007.7900390625 6129.225663810331 953.59651930385 -14.57100180839988 -1.071583901331491 0.09096074487482647 -0.05113548277126418 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1176] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1176] units Angstroms features 32 29.28 5162.26569 5162.285 6.0 1 1 23 67.17 5187.69272 5187.746 6.0 1 1 31 117.37 5221.35843 5221.271 6.0 1 1 17 344.78 5373.55142 5373.494 6.0 1 1 5 416.32 5421.28831 5421.352 6.0 1 1 8 528.24 5495.81089 5495.874 6.0 1 1 43 623.10 5558.81186 5558.702 6.0 1 1 55 695.32 5606.66083 5606.733 6.0 1 1 53 820.98 5689.67069 5689.6401 6.0 1 1 8 acs: add; not Ar 896.63 5739.47998 5739.52 6.0 1 1 16 992.01 5802.10445 5802.08 6.0 1 1 8 acs: increase 1160.46 5912.18295 5912.085 6.0 1 1 47 1185.83 5928.70617 5928.8101 6.0 1 1 20 acs: add 1207.18 5942.59648 5942.6665 6.0 1 1 7 acs: add 1294.18 5999.07859 5998.999 6.0 1 1 7 weak 1316.70 6013.66374 6013.678 6.0 1 1 6 1345.18 6032.09739 6032.127 6.0 1 1 170 1362.51 6043.30271 6043.223 6.0 1 1 67 1387.38 6059.3716 6059.373 6.0 1 1 33 1458.97 6105.53138 6105.635 6.0 1 1 19 1521.15 6145.51507 6145.441 6.0 1 1 18 1758.05 6296.8818 6296.872 6.0 1 1 13 1872.83 6369.65726 6369.575 6.0 1 1 9 1896.63 6384.70096 6384.717 6.0 1 1 33 1946.60 6416.23592 6416.307 6.0 1 1 164 2247.92 6604.79908 6604.853 6.0 1 1 24 2364.96 6677.29014 6677.282 6.0 1 1 434 2487.75 6752.86965 6752.834 6.0 1 1 331 2681.81 6871.29164 6871.289 6.0 1 1 316 2837.65 6965.42738 6965.431 6.0 1 1 56184 2945.87 7030.26514 7030.251 6.0 1 1 319 3007.86 7067.20338 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 29.27717208862305 3007.860595703125 6129.21700416402 953.5953066682122 -14.56049316913255 -1.068071391680795 0.07802382119835026 -0.05838680156108734 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1181] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1181] units Angstroms features 32 29.36 5162.26948 5162.285 6.0 1 1 23 67.23 5187.67731 5187.746 6.0 1 1 31 117.49 5221.38997 5221.271 6.0 1 1 17 344.72 5373.4585 5373.494 6.0 1 1 5 416.47 5421.34019 5421.352 6.0 1 1 8 528.31 5495.81153 5495.874 6.0 1 1 43 623.20 5558.82687 5558.702 6.0 1 1 55 695.44 5606.68724 5606.733 6.0 1 1 53 821.15 5689.72409 5689.6401 6.0 1 1 8 acs: add; not Ar 896.70 5739.46902 5739.52 6.0 1 1 16 992.02 5802.04884 5802.08 6.0 1 1 8 acs: increase 1160.47 5912.13057 5912.085 6.0 1 1 47 1185.94 5928.71304 5928.8101 6.0 1 1 20 acs: add 1207.17 5942.52231 5942.6665 6.0 1 1 7 acs: add 1294.38 5999.14513 5998.999 6.0 1 1 7 weak 1316.78 6013.65612 6013.678 6.0 1 1 6 1345.24 6032.0728 6032.127 6.0 1 1 170 1362.63 6043.31779 6043.223 6.0 1 1 67 1387.51 6059.3905 6059.373 6.0 1 1 33 1459.18 6105.60356 6105.635 6.0 1 1 19 1521.28 6145.52951 6145.441 6.0 1 1 18 1758.17 6296.89335 6296.872 6.0 1 1 13 1872.77 6369.55784 6369.575 6.0 1 1 9 1896.73 6384.69966 6384.717 6.0 1 1 33 1946.75 6416.26141 6416.307 6.0 1 1 164 2248.05 6604.81784 6604.853 6.0 1 1 24 2365.08 6677.29926 6677.282 6.0 1 1 434 2487.85 6752.87146 6752.834 6.0 1 1 331 2681.90 6871.28131 6871.289 6.0 1 1 316 2837.75 6965.4287 6965.431 6.0 1 1 56184 2945.96 7030.25934 7030.251 6.0 1 1 319 3007.97 7067.20915 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 29.3646125793457 3007.97021484375 6129.22151417538 953.5937546253776 -14.55773774867931 -1.066263456959757 0.07553631428618521 -0.05765418985894836 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1186] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1186] units Angstroms features 32 29.39 5162.25712 5162.285 6.0 1 1 23 67.27 5187.67628 5187.746 6.0 1 1 31 117.52 5221.38172 5221.271 6.0 1 1 17 344.82 5373.49434 5373.494 6.0 1 1 5 416.59 5421.3817 5421.352 6.0 1 1 8 528.41 5495.83256 5495.874 6.0 1 1 43 623.24 5558.79942 5558.702 6.0 1 1 55 695.54 5606.69673 5606.733 6.0 1 1 53 821.01 5689.57037 5689.6401 6.0 1 1 8 acs: add; not Ar 896.70 5739.40271 5739.52 6.0 1 1 16 992.33 5802.18768 5802.08 6.0 1 1 8 acs: increase 1160.51 5912.08313 5912.085 6.0 1 1 47 1186.07 5928.72528 5928.8101 6.0 1 1 20 acs: add 1207.28 5942.52617 5942.6665 6.0 1 1 7 acs: add 1294.45 5999.11902 5998.999 6.0 1 1 7 weak 1317.03 6013.74758 6013.678 6.0 1 1 6 1345.37 6032.09063 6032.127 6.0 1 1 170 1362.72 6043.30817 6043.223 6.0 1 1 67 1387.57 6059.36052 6059.373 6.0 1 1 33 1459.40 6105.67908 6105.635 6.0 1 1 19 1521.41 6145.54926 6145.441 6.0 1 1 18 1758.22 6296.86733 6296.872 6.0 1 1 13 1872.72 6369.47425 6369.575 6.0 1 1 9 1896.76 6384.66941 6384.717 6.0 1 1 33 1946.84 6416.26816 6416.307 6.0 1 1 164 2248.22 6604.87256 6604.853 6.0 1 1 24 2365.15 6677.29252 6677.282 6.0 1 1 434 2487.95 6752.87513 6752.834 6.0 1 1 331 2682.00 6871.28455 6871.289 6.0 1 1 316 2837.85 6965.42119 6965.431 6.0 1 1 56184 2946.08 7030.26309 7030.251 6.0 1 1 319 3008.09 7067.20607 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 29.39173316955567 3008.08642578125 6129.213065138503 953.602571695186 -14.55226957931316 -1.076492252776916 0.0707979389668646 -0.05160727502293722 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1191] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1191] units Angstroms features 32 29.40 5162.20972 5162.285 6.0 1 1 23 67.42 5187.71889 5187.746 6.0 1 1 31 117.59 5221.35704 5221.271 6.0 1 1 17 345.12 5373.61277 5373.494 6.0 1 1 5 416.69 5421.37181 5421.352 6.0 1 1 8 528.47 5495.80559 5495.874 6.0 1 1 43 623.29 5558.78187 5558.702 6.0 1 1 55 695.60 5606.68824 5606.733 6.0 1 1 53 820.86 5689.43605 5689.6401 6.0 1 1 8 acs: add; not Ar 896.78 5739.42789 5739.52 6.0 1 1 16 992.37 5802.19208 5802.08 6.0 1 1 8 acs: increase 1160.54 5912.08238 5912.085 6.0 1 1 47 1186.15 5928.75908 5928.8101 6.0 1 1 20 acs: add 1207.33 5942.54044 5942.6665 6.0 1 1 7 acs: add 1294.49 5999.12572 5998.999 6.0 1 1 7 weak 1317.15 6013.80253 6013.678 6.0 1 1 6 1345.46 6032.12267 6032.127 6.0 1 1 170 1362.81 6043.34253 6043.223 6.0 1 1 67 1387.62 6059.37118 6059.373 6.0 1 1 33 1459.30 6105.58311 6105.635 6.0 1 1 19 1521.52 6145.5884 6145.441 6.0 1 1 18 1758.20 6296.80869 6296.872 6.0 1 1 13 1872.84 6369.49425 6369.575 6.0 1 1 9 1896.82 6384.65433 6384.717 6.0 1 1 33 1946.91 6416.25978 6416.307 6.0 1 1 164 2248.36 6604.9036 6604.853 6.0 1 1 24 2365.17 6677.25167 6677.282 6.0 1 1 434 2488.03 6752.87388 6752.834 6.0 1 1 331 2682.12 6871.31142 6871.289 6.0 1 1 316 2837.94 6965.42764 6965.431 6.0 1 1 56184 2946.19 7030.26967 7030.251 6.0 1 1 319 3008.17 7067.1888 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 29.39511871337891 3008.17138671875 6129.188621045462 953.6309288722776 -14.56699433824883 -1.073593933993273 0.07763190585891034 -0.06779550474438735 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1196] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1196] units Angstroms features 32 29.54 5162.25545 5162.285 6.0 1 1 23 67.51 5187.71929 5187.746 6.0 1 1 31 117.61 5221.30739 5221.271 6.0 1 1 17 345.20 5373.59549 5373.494 6.0 1 1 5 416.77 5421.35275 5421.352 6.0 1 1 8 528.57 5495.8056 5495.874 6.0 1 1 43 623.42 5558.80706 5558.702 6.0 1 1 55 695.63 5606.65603 5606.733 6.0 1 1 53 821.03 5689.50003 5689.6401 6.0 1 1 8 acs: add; not Ar 896.90 5739.46052 5739.52 6.0 1 1 16 992.48 5802.22164 5802.08 6.0 1 1 8 acs: increase 1160.56 5912.06367 5912.085 6.0 1 1 47 1186.10 5928.69231 5928.8101 6.0 1 1 20 acs: add 1207.54 5942.63723 5942.6665 6.0 1 1 7 acs: add 1294.37 5999.00788 5998.999 6.0 1 1 7 weak 1317.32 6013.87544 6013.678 6.0 1 1 6 1345.51 6032.11957 6032.127 6.0 1 1 170 1362.82 6043.30813 6043.223 6.0 1 1 67 1387.66 6059.35417 6059.373 6.0 1 1 33 1459.30 6105.54639 6105.635 6.0 1 1 19 1521.54 6145.56069 6145.441 6.0 1 1 18 1758.34 6296.84288 6296.872 6.0 1 1 13 1872.99 6369.52741 6369.575 6.0 1 1 9 1896.91 6384.64895 6384.717 6.0 1 1 33 1947.06 6416.28489 6416.307 6.0 1 1 164 2248.51 6604.91852 6604.853 6.0 1 1 24 2365.30 6677.24931 6677.282 6.0 1 1 434 2488.12 6752.8524 6752.834 6.0 1 1 331 2682.22 6871.2989 6871.289 6.0 1 1 316 2838.04 6965.42616 6965.431 6.0 1 1 56184 2946.27 7030.2703 7030.251 6.0 1 1 319 3008.26 7067.19723 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 29.54142761230469 3008.25830078125 6129.204821354009 953.6073373666049 -14.56973199323584 -1.062897185200235 0.09125127918990298 -0.07354769040141786 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1201] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1201] units Angstroms features 32 29.70 5162.2867 5162.285 6.0 1 1 23 67.59 5187.72158 5187.746 6.0 1 1 31 117.66 5221.30972 5221.271 6.0 1 1 17 344.91 5373.41159 5373.494 6.0 1 1 5 416.83 5421.40559 5421.352 6.0 1 1 8 528.67 5495.8705 5495.874 6.0 1 1 43 623.46 5558.8162 5558.702 6.0 1 1 55 695.70 5606.6714 5606.733 6.0 1 1 53 821.25 5689.59286 5689.6401 6.0 1 1 8 acs: add; not Ar 896.99 5739.46145 5739.52 6.0 1 1 16 992.58 5802.21271 5802.08 6.0 1 1 8 acs: increase 1160.63 5912.02404 5912.085 6.0 1 1 47 1186.19 5928.67089 5928.8101 6.0 1 1 20 acs: add 1207.65 5942.6272 5942.6665 6.0 1 1 7 acs: add 1294.55 5999.04184 5998.999 6.0 1 1 7 weak 1317.37 6013.82693 6013.678 6.0 1 1 6 1345.61 6032.10504 6032.127 6.0 1 1 170 1362.88 6043.26818 6043.223 6.0 1 1 67 1387.77 6059.34793 6059.373 6.0 1 1 33 1459.44 6105.56308 6105.635 6.0 1 1 19 1521.66 6145.56992 6145.441 6.0 1 1 18 1758.48 6296.88619 6296.872 6.0 1 1 13 1873.05 6369.52516 6369.575 6.0 1 1 9 1896.98 6384.65077 6384.717 6.0 1 1 33 1947.11 6416.27806 6416.307 6.0 1 1 164 2248.57 6604.91322 6604.853 6.0 1 1 24 2365.45 6677.29858 6677.282 6.0 1 1 434 2488.20 6752.83985 6752.834 6.0 1 1 331 2682.30 6871.27252 6871.289 6.0 1 1 316 2838.13 6965.40674 6965.431 6.0 1 1 56184 2946.38 7030.27048 7030.251 6.0 1 1 319 3008.37 7067.21679 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 29.70357513427734 3008.3662109375 6129.242674003457 953.5678609579332 -14.56535303225665 -1.058275429405335 0.07442190698580714 -0.04454070996637255 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1206] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1206] units Angstroms features 32 29.74 5162.26475 5162.285 6.0 1 1 23 67.66 5187.71351 5187.746 6.0 1 1 31 117.82 5221.3587 5221.271 6.0 1 1 17 345.03 5373.43451 5373.494 6.0 1 1 5 416.84 5421.35247 5421.352 6.0 1 1 8 528.69 5495.83377 5495.874 6.0 1 1 43 623.52 5558.80687 5558.702 6.0 1 1 55 695.80 5606.69443 5606.733 6.0 1 1 53 821.41 5689.6587 5689.6401 6.0 1 1 8 acs: add; not Ar 897.07 5739.47368 5739.52 6.0 1 1 16 992.66 5802.22803 5802.08 6.0 1 1 8 acs: increase 1160.73 5912.0508 5912.085 6.0 1 1 47 1186.39 5928.75844 5928.8101 6.0 1 1 20 acs: add 1207.52 5942.49844 5942.6665 6.0 1 1 7 acs: add 1294.94 5999.2513 5998.999 6.0 1 0 7 weak 1317.18 6013.65523 6013.678 6.0 1 1 6 1345.69 6032.10388 6032.127 6.0 1 1 170 1362.95 6043.2629 6043.223 6.0 1 1 67 1387.99 6059.4423 6059.373 6.0 1 1 33 1459.63 6105.62384 6105.635 6.0 1 1 19 1521.73 6145.554 6145.441 6.0 1 1 18 1758.68 6296.93945 6296.872 6.0 1 1 13 1873.25 6369.58221 6369.575 6.0 1 1 9 1897.10 6384.65462 6384.717 6.0 1 1 33 1947.15 6416.23652 6416.307 6.0 1 1 164 2248.59 6604.86201 6604.853 6.0 1 1 24 2365.52 6677.28555 6677.282 6.0 1 1 434 2488.29 6752.85292 6752.834 6.0 1 1 331 2682.38 6871.28419 6871.289 6.0 1 1 316 2838.23 6965.42082 6965.431 6.0 1 1 56184 2946.48 7030.27344 7030.251 6.0 1 1 319 3008.47 7067.20371 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 29.74074172973633 3008.47021484375 6129.233121342584 953.5846723412181 -14.56713586732976 -1.056245643482448 0.06824254582713824 -0.05894745045238549 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1211] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1211] units Angstroms features 32 29.75 5162.27303 5162.285 6.0 1 1 23 67.64 5187.68545 5187.746 6.0 1 1 31 117.88 5221.37057 5221.271 6.0 1 1 17 345.29 5373.52371 5373.494 6.0 1 1 5 416.87 5421.2891 5421.352 6.0 1 1 8 528.78 5495.80466 5495.874 6.0 1 1 43 623.61 5558.78295 5558.702 6.0 1 1 55 695.93 5606.70345 5606.733 6.0 1 1 53 821.50 5689.65668 5689.6401 6.0 1 1 8 acs: add; not Ar 897.17 5739.48747 5739.52 6.0 1 1 16 992.75 5802.2442 5802.08 6.0 1 1 8 acs: increase 1160.79 5912.05892 5912.085 6.0 1 1 47 1186.43 5928.75511 5928.8101 6.0 1 1 20 acs: add 1207.48 5942.44515 5942.6665 6.0 1 1 7 acs: add 1294.94 5999.22533 5998.999 6.0 1 1 7 weak 1317.04 6013.5422 6013.678 6.0 1 1 6 1345.75 6032.12603 6032.127 6.0 1 1 170 1363.02 6043.28733 6043.223 6.0 1 1 67 1387.92 6059.37463 6059.373 6.0 1 1 33 1459.60 6105.59319 6105.635 6.0 1 1 19 1521.74 6145.54185 6145.441 6.0 1 1 18 1758.68 6296.92176 6296.872 6.0 1 1 13 1873.15 6369.49452 6369.575 6.0 1 1 9 1897.19 6384.68713 6384.717 6.0 1 1 33 1947.28 6416.29018 6416.307 6.0 1 1 164 2248.73 6604.9072 6604.853 6.0 1 1 24 2365.57 6677.26873 6677.282 6.0 1 1 434 2488.39 6752.8614 6752.834 6.0 1 1 331 2682.42 6871.25251 6871.289 6.0 1 1 316 2838.32 6965.41568 6965.431 6.0 1 1 56184 2946.63 7030.3012 7030.251 6.0 1 1 319 3008.56 7067.19237 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 29.74500465393066 3008.561767578125 6129.215859520401 953.6036506074184 -14.57535171442291 -1.077095360181812 0.09219537916776244 -0.06688675752953882 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1216] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1216] units Angstroms features 32 29.90 5162.31189 5162.285 6.0 1 1 23 67.74 5187.67874 5187.746 6.0 1 1 31 117.89 5221.28557 5221.271 6.0 1 1 17 345.62 5373.62679 5373.494 6.0 1 1 5 417.13 5421.33926 5421.352 6.0 1 1 8 528.90 5495.76643 5495.874 6.0 1 1 43 623.66 5558.70735 5558.702 6.0 1 1 55 696.02 5606.66127 5606.733 6.0 1 1 53 821.64 5689.6598 5689.6401 6.0 1 1 8 acs: add; not Ar 897.32 5739.50609 5739.52 6.0 1 1 16 992.83 5802.22674 5802.08 6.0 1 1 8 acs: increase 1160.93 5912.10283 5912.085 6.0 1 1 47 1186.53 5928.77497 5928.8101 6.0 1 1 20 acs: add 1207.75 5942.58118 5942.6665 6.0 1 1 7 acs: add 1294.49 5998.9022 5998.999 6.0 1 1 7 weak 1317.22 6013.6325 6013.678 6.0 1 1 6 1345.89 6032.18592 6032.127 6.0 1 1 170 1363.15 6043.34915 6043.223 6.0 1 1 67 1387.91 6059.34322 6059.373 6.0 1 1 33 1459.67 6105.61775 6105.635 6.0 1 1 19 1521.79 6145.5643 6145.441 6.0 1 1 18 1758.60 6296.85876 6296.872 6.0 1 1 13 1873.13 6369.46462 6369.575 6.0 1 1 9 1897.20 6384.67863 6384.717 6.0 1 1 33 1947.33 6416.30501 6416.307 6.0 1 1 164 2248.85 6604.93961 6604.853 6.0 1 1 24 2365.68 6677.2828 6677.282 6.0 1 1 434 2488.51 6752.86656 6752.834 6.0 1 1 331 2682.54 6871.24494 6871.289 6.0 1 1 316 2838.41 6965.39871 6965.431 6.0 1 1 56184 2946.70 7030.2879 7030.251 6.0 1 1 319 3008.66 7067.21218 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 29.90331840515137 3008.664062500001 6129.234457534911 953.6038026623842 -14.59530812748958 -1.089297511209806 0.1228868011397605 -0.06435847763772729 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1221] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1221] units Angstroms features 32 30.03 5162.29593 5162.285 6.0 1 1 23 67.89 5187.69629 5187.746 6.0 1 1 31 117.97 5221.27488 5221.271 6.0 1 1 17 345.62 5373.61248 5373.494 6.0 1 1 5 417.20 5421.37277 5421.352 6.0 1 1 8 528.94 5495.77419 5495.874 6.0 1 1 43 623.77 5558.75397 5558.702 6.0 1 1 55 696.07 5606.65375 5606.733 6.0 1 1 53 821.72 5689.66224 5689.6401 6.0 1 1 8 acs: add; not Ar 897.41 5739.50091 5739.52 6.0 1 1 16 992.66 5802.04407 5802.08 6.0 1 1 8 acs: increase 1161.04 5912.0866 5912.085 6.0 1 1 47 1186.66 5928.7703 5928.8101 6.0 1 1 20 acs: add 1207.97 5942.63404 5942.6665 6.0 1 1 7 acs: add 1294.68 5998.93508 5998.999 6.0 1 1 7 weak 1317.55 6013.74996 6013.678 6.0 1 1 6 1345.96 6032.13831 6032.127 6.0 1 1 170 1363.28 6043.3367 6043.223 6.0 1 1 67 1388.11 6059.37775 6059.373 6.0 1 1 33 1459.86 6105.642 6105.635 6.0 1 1 19 1521.93 6145.56103 6145.441 6.0 1 1 18 1758.64 6296.79974 6296.872 6.0 1 1 13 1873.51 6369.63132 6369.575 6.0 1 1 9 1897.19 6384.59679 6384.717 6.0 1 1 33 1947.34 6416.2392 6416.307 6.0 1 1 164 2248.84 6604.87887 6604.853 6.0 1 1 24 2365.79 6677.29337 6677.282 6.0 1 1 434 2488.64 6752.89266 6752.834 6.0 1 1 331 2682.68 6871.27775 6871.289 6.0 1 1 316 2838.51 6965.40336 6965.431 6.0 1 1 56184 2946.74 7030.25279 7030.251 6.0 1 1 319 3008.78 7067.22461 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 30.03085327148438 3008.776123046875 6129.250723238408 953.5931833469344 -14.58749502074397 -1.077569998777038 0.09703944898550304 -0.05127326040676113 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1226] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1226] units Angstroms features 32 29.99 5162.28595 5162.285 6.0 1 1 23 67.88 5187.70755 5187.746 6.0 1 1 31 118.00 5221.31856 5221.271 6.0 1 1 17 345.39 5373.46651 5373.494 6.0 1 1 5 417.19 5421.37379 5421.352 6.0 1 1 8 529.03 5495.83126 5495.874 6.0 1 1 43 623.85 5558.78912 5558.702 6.0 1 1 55 696.14 5606.67666 5606.733 6.0 1 1 53 821.95 5689.77482 5689.6401 6.0 1 1 8 acs: add; not Ar 897.44 5739.47547 5739.52 6.0 1 1 16 992.63 5801.96635 5802.08 6.0 1 1 8 acs: increase 1161.10 5912.06164 5912.085 6.0 1 1 47 1186.72 5928.74249 5928.8101 6.0 1 1 20 acs: add 1207.96 5942.55917 5942.6665 6.0 1 1 7 acs: add 1295.08 5999.12256 5998.999 6.0 1 1 7 weak 1317.56 6013.68659 6013.678 6.0 1 1 6 1346.03 6032.10839 6032.127 6.0 1 1 170 1363.37 6043.32132 6043.223 6.0 1 1 67 1388.24 6059.38801 6059.373 6.0 1 1 33 1460.00 6105.65805 6105.635 6.0 1 1 19 1522.01 6145.53137 6145.441 6.0 1 1 18 1758.75 6296.79947 6296.872 6.0 1 1 13 1873.61 6369.62622 6369.575 6.0 1 1 9 1897.35 6384.62462 6384.717 6.0 1 1 33 1947.49 6416.26312 6416.307 6.0 1 1 164 2248.96 6604.89367 6604.853 6.0 1 1 24 2365.84 6677.26984 6677.282 6.0 1 1 434 2488.69 6752.86837 6752.834 6.0 1 1 331 2682.79 6871.28445 6871.289 6.0 1 1 316 2838.62 6965.40542 6965.431 6.0 1 1 56184 2946.89 7030.27219 7030.251 6.0 1 1 319 3008.88 7067.21067 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 29.98825263977051 3008.8798828125 6129.228959913127 953.5947750637714 -14.56565202174012 -1.08506000607501 0.08500248532249221 -0.04735257070526319 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1231] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1231] units Angstroms features 32 30.09 5162.29428 5162.285 6.0 1 1 23 67.94 5187.68053 5187.746 6.0 1 1 31 118.14 5221.32996 5221.271 6.0 1 1 17 345.59 5373.50392 5373.494 6.0 1 1 5 417.34 5421.3788 5421.352 6.0 1 1 8 529.12 5495.8038 5495.874 6.0 1 1 43 623.95 5558.7784 5558.702 6.0 1 1 55 696.26 5606.68384 5606.733 6.0 1 1 53 821.85 5689.64978 5689.6401 6.0 1 1 8 acs: add; not Ar 897.49 5739.45271 5739.52 6.0 1 1 16 993.09 5802.21977 5802.08 6.0 1 1 8 acs: increase 1161.20 5912.07653 5912.085 6.0 1 1 47 1186.78 5928.72886 5928.8101 6.0 1 1 20 acs: add 1207.97 5942.51197 5942.6665 6.0 1 1 7 acs: add 1295.11 5999.08295 5998.999 6.0 1 1 7 weak 1317.50 6013.59047 6013.678 6.0 1 1 6 1346.13 6032.11726 6032.127 6.0 1 1 170 1363.39 6043.27755 6043.223 6.0 1 1 67 1388.46 6059.47425 6059.373 6.0 1 1 33 1460.05 6105.62998 6105.635 6.0 1 1 19 1522.13 6145.54283 6145.441 6.0 1 1 18 1758.98 6296.86101 6296.872 6.0 1 1 13 1873.79 6369.6512 6369.575 6.0 1 1 9 1897.42 6384.57996 6384.717 6.0 1 1 33 1947.65 6416.2745 6416.307 6.0 1 1 164 2249.09 6604.88611 6604.853 6.0 1 1 24 2365.96 6677.26416 6677.282 6.0 1 1 434 2488.76 6752.84483 6752.834 6.0 1 1 331 2682.90 6871.29949 6871.289 6.0 1 1 316 2838.73 6965.41579 6965.431 6.0 1 1 56184 2947.02 7030.28452 7030.251 6.0 1 1 319 3008.98 7067.19368 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 30.08595275878906 3008.97705078125 6129.219796643725 953.596722133296 -14.56478730033322 -1.081128605812668 0.08897194587653185 -0.06589464727490379 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1236] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1236] units Angstroms features 32 30.21 5162.28608 5162.285 6.0 1 1 23 68.12 5187.71882 5187.746 6.0 1 1 31 118.23 5221.31529 5221.271 6.0 1 1 17 345.55 5373.41548 5373.494 6.0 1 1 5 417.51 5421.43409 5421.352 6.0 1 1 8 529.19 5495.79776 5495.874 6.0 1 1 43 624.04 5558.78197 5558.702 6.0 1 1 55 696.38 5606.70973 5606.733 6.0 1 1 53 821.95 5689.66161 5689.6401 6.0 1 1 8 acs: add; not Ar 897.65 5739.50322 5739.52 6.0 1 1 16 993.06 5802.14699 5802.08 6.0 1 1 8 acs: increase 1161.27 5912.06137 5912.085 6.0 1 1 47 1186.88 5928.73912 5928.8101 6.0 1 1 20 acs: add 1208.13 5942.56218 5942.6665 6.0 1 1 7 acs: add 1295.00 5998.95226 5998.999 6.0 1 1 7 weak 1317.76 6013.70193 6013.678 6.0 1 1 6 1346.23 6032.12417 6032.127 6.0 1 1 170 1363.47 6043.26893 6043.223 6.0 1 1 67 1388.54 6059.46475 6059.373 6.0 1 1 33 1460.08 6105.58476 6105.635 6.0 1 1 19 1522.27 6145.57151 6145.441 6.0 1 1 18 1759.15 6296.90105 6296.872 6.0 1 1 13 1873.90 6369.64333 6369.575 6.0 1 1 9 1897.46 6384.53065 6384.717 6.0 1 1 33 1947.74 6416.2549 6416.307 6.0 1 1 164 2249.35 6604.96374 6604.853 6.0 1 1 24 2366.09 6677.25975 6677.282 6.0 1 1 434 2488.88 6752.83012 6752.834 6.0 1 1 331 2683.02 6871.28714 6871.289 6.0 1 1 316 2838.83 6965.40178 6965.431 6.0 1 1 56184 2947.10 7030.27697 7030.251 6.0 1 1 319 3009.09 7067.21223 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 30.20758628845215 3009.086669921875 6129.224283249766 953.5878550108517 -14.56780340591717 -1.06270013499155 0.09267686023875929 -0.06208124627829596 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1241] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1241] units Angstroms features 32 30.27 5162.26685 5162.285 6.0 1 1 23 68.24 5187.72539 5187.746 6.0 1 1 31 118.32 5221.29298 5221.271 6.0 1 1 17 345.92 5373.56783 5373.494 6.0 1 1 5 417.59 5421.39089 5421.352 6.0 1 1 8 529.31 5495.78441 5495.874 6.0 1 1 43 624.09 5558.73011 5558.702 6.0 1 1 55 696.45 5606.67802 5606.733 6.0 1 1 53 822.43 5689.90715 5689.6401 6.0 1 0 8 acs: add; not Ar 897.74 5739.49769 5739.52 6.0 1 1 16 993.05 5802.0759 5802.08 6.0 1 1 8 acs: increase 1161.28 5912.01265 5912.085 6.0 1 1 47 1187.06 5928.80263 5928.8101 6.0 1 1 20 acs: add 1208.46 5942.72321 5942.6665 6.0 1 1 7 acs: add 1295.03 5998.91903 5998.999 6.0 1 1 7 weak 1318.00 6013.80191 6013.678 6.0 1 1 6 1346.33 6032.13291 6032.127 6.0 1 1 170 1363.61 6043.30327 6043.223 6.0 1 1 67 1388.50 6059.38101 6059.373 6.0 1 1 33 1460.09 6105.53646 6105.635 6.0 1 1 19 1522.39 6145.58882 6145.441 6.0 1 1 18 1759.14 6296.8332 6296.872 6.0 1 1 13 1873.87 6369.56257 6369.575 6.0 1 1 9 1897.71 6384.62351 6384.717 6.0 1 1 33 1947.81 6416.23485 6416.307 6.0 1 1 164 2249.51 6604.99212 6604.853 6.0 1 1 24 2366.19 6677.25431 6677.282 6.0 1 1 434 2489.01 6752.84271 6752.834 6.0 1 1 331 2683.09 6871.27161 6871.289 6.0 1 1 316 2838.94 6965.41373 6965.431 6.0 1 1 56184 2947.20 7030.27301 7030.251 6.0 1 1 319 3009.20 7067.21002 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 30.26933288574219 3009.2001953125 6129.21050130561 953.610166190451 -14.57369378521238 -1.066303962720621 0.1016309664849094 -0.07227795974408242 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1246] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1246] units Angstroms features 32 30.39 5162.2648 5162.285 6.0 1 1 23 68.33 5187.70598 5187.746 6.0 1 1 31 118.49 5221.32111 5221.271 6.0 1 1 17 346.12 5373.62298 5373.494 6.0 1 1 5 417.57 5421.30151 5421.352 6.0 1 1 8 529.44 5495.80268 5495.874 6.0 1 1 43 624.16 5558.71817 5558.702 6.0 1 1 55 696.52 5606.67281 5606.733 6.0 1 1 53 822.15 5689.67309 5689.6401 6.0 1 1 8 acs: add; not Ar 897.71 5739.43295 5739.52 6.0 1 1 16 993.26 5802.17504 5802.08 6.0 1 1 8 acs: increase 1161.47 5912.10143 5912.085 6.0 1 1 47 1187.07 5928.77003 5928.8101 6.0 1 1 20 acs: add 1208.50 5942.71044 5942.6665 6.0 1 1 7 acs: add 1295.05 5998.89182 5998.999 6.0 1 1 7 weak 1317.87 6013.67729 6013.678 6.0 1 1 6 1346.42 6032.1493 6032.127 6.0 1 1 170 1363.72 6043.33517 6043.223 6.0 1 1 67 1388.59 6059.40217 6059.373 6.0 1 1 33 1460.15 6105.53259 6105.635 6.0 1 1 19 1522.38 6145.53951 6145.441 6.0 1 1 18 1759.15 6296.79116 6296.872 6.0 1 1 13 1874.15 6369.68298 6369.575 6.0 1 1 9 1897.81 6384.6358 6384.717 6.0 1 1 33 1947.94 6416.26188 6416.307 6.0 1 1 164 2249.41 6604.88181 6604.853 6.0 1 1 24 2366.30 6677.27526 6677.282 6.0 1 1 434 2489.12 6752.86539 6752.834 6.0 1 1 331 2683.15 6871.26043 6871.289 6.0 1 1 316 2839.06 6965.43233 6965.431 6.0 1 1 56184 2947.32 7030.27494 7030.251 6.0 1 1 319 3009.32 7067.20085 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 30.38814926147461 3009.315673828125 6129.225388677207 953.6150046182196 -14.59160785119267 -1.06555782688521 0.09904144120132272 -0.08142293882684171 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1251] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1251] units Angstroms features 32 30.39 5162.24358 5162.285 6.0 1 1 23 68.35 5187.69901 5187.746 6.0 1 1 31 118.58 5221.3724 5221.271 6.0 1 1 17 345.99 5373.51927 5373.494 6.0 1 1 5 417.71 5421.36989 5421.352 6.0 1 1 8 529.52 5495.81932 5495.874 6.0 1 1 43 624.34 5558.78724 5558.702 6.0 1 1 55 696.62 5606.67543 5606.733 6.0 1 1 53 822.10 5689.57024 5689.6401 6.0 1 1 8 acs: add; not Ar 897.78 5739.39954 5739.52 6.0 1 1 16 993.42 5802.19737 5802.08 6.0 1 1 8 acs: increase 1161.68 5912.14877 5912.085 6.0 1 1 47 1187.12 5928.71771 5928.8101 6.0 1 1 20 acs: add 1208.57 5942.67171 5942.6665 6.0 1 1 7 acs: add 1295.46 5999.07626 5998.999 6.0 1 1 7 weak 1317.91 6013.62225 6013.678 6.0 1 1 6 1346.53 6032.14074 6032.127 6.0 1 1 170 1363.81 6043.31518 6043.223 6.0 1 1 67 1388.71 6059.39574 6059.373 6.0 1 1 33 1460.30 6105.55078 6105.635 6.0 1 1 19 1522.47 6145.52451 6145.441 6.0 1 1 18 1759.25 6296.79413 6296.872 6.0 1 1 13 1874.11 6369.60573 6369.575 6.0 1 1 9 1897.95 6384.67499 6384.717 6.0 1 1 33 1948.07 6416.29382 6416.307 6.0 1 1 164 2249.41 6604.8326 6604.853 6.0 1 1 24 2366.42 6677.29152 6677.282 6.0 1 1 434 2489.26 6752.8906 6752.834 6.0 1 1 331 2683.28 6871.26357 6871.289 6.0 1 1 316 2839.18 6965.41925 6965.431 6.0 1 1 56184 2947.47 7030.28474 7030.251 6.0 1 1 319 3009.44 7067.19581 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 30.39425468444824 3009.43505859375 6129.208063570408 953.6218598218806 -14.58189714400721 -1.079005313084662 0.09353016636507599 -0.06674000763098746 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1256] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1256] units Angstroms features 32 30.54 5162.26692 5162.285 6.0 1 1 23 68.43 5187.66955 5187.746 6.0 1 1 31 118.69 5221.35463 5221.271 6.0 1 1 17 346.21 5373.57 5373.494 6.0 1 1 5 417.86 5421.37827 5421.352 6.0 1 1 8 529.62 5495.79641 5495.874 6.0 1 1 43 624.49 5558.80416 5558.702 6.0 1 1 55 696.68 5606.63905 5606.733 6.0 1 1 53 822.22 5689.57553 5689.6401 6.0 1 1 8 acs: add; not Ar 897.98 5739.46132 5739.52 6.0 1 1 16 993.41 5802.1202 5802.08 6.0 1 1 8 acs: increase 1161.69 5912.08895 5912.085 6.0 1 1 47 1187.19 5928.68932 5928.8101 6.0 1 1 20 acs: add 1208.68 5942.67418 5942.6665 6.0 1 1 7 acs: add 1295.74 5999.1901 5998.999 6.0 1 1 7 weak 1317.99 6013.6002 6013.678 6.0 1 1 6 1346.64 6032.14007 6032.127 6.0 1 1 170 1363.94 6043.32707 6043.223 6.0 1 1 67 1388.75 6059.35113 6059.373 6.0 1 1 33 1460.42 6105.55667 6105.635 6.0 1 1 19 1522.70 6145.59941 6145.441 6.0 1 1 18 1759.45 6296.84543 6296.872 6.0 1 1 13 1874.09 6369.51319 6369.575 6.0 1 1 9 1898.08 6384.67668 6384.717 6.0 1 1 33 1948.20 6416.29561 6416.307 6.0 1 1 164 2249.51 6604.81836 6604.853 6.0 1 1 24 2366.54 6677.29262 6677.282 6.0 1 1 434 2489.36 6752.8844 6752.834 6.0 1 1 331 2683.43 6871.29142 6871.289 6.0 1 1 316 2839.30 6965.42485 6965.431 6.0 1 1 56184 2947.59 7030.2793 7030.251 6.0 1 1 319 3009.57 7067.1887 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 30.5409049987793 3009.567138671875 6129.220274072886 953.6178286829615 -14.58591966982567 -1.081688491748053 0.09345506782177165 -0.07525295688659211 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1261] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1261] units Angstroms features 32 30.60 5162.26631 5162.285 6.0 1 1 23 68.51 5187.67887 5187.746 6.0 1 1 31 118.76 5221.34994 5221.271 6.0 1 1 17 346.32 5373.57282 5373.494 6.0 1 1 5 417.96 5421.37458 5421.352 6.0 1 1 8 529.69 5495.77216 5495.874 6.0 1 1 43 624.57 5558.79296 5558.702 6.0 1 1 55 696.74 5606.61143 5606.733 6.0 1 1 53 822.39 5689.62783 5689.6401 6.0 1 1 8 acs: add; not Ar 898.14 5739.50874 5739.52 6.0 1 1 16 993.55 5802.155 5802.08 6.0 1 1 8 acs: increase 1161.75 5912.07018 5912.085 6.0 1 1 47 1187.19 5928.6314 5928.8101 6.0 1 1 20 acs: add 1208.86 5942.72897 5942.6665 6.0 1 1 7 acs: add 1295.71 5999.10875 5998.999 6.0 1 1 7 weak 1318.08 6013.59993 6013.678 6.0 1 1 6 1346.73 6032.13937 6032.127 6.0 1 1 170 1364.02 6043.31376 6043.223 6.0 1 1 67 1388.91 6059.3894 6059.373 6.0 1 1 33 1460.49 6105.53761 6105.635 6.0 1 1 19 1522.74 6145.55766 6145.441 6.0 1 1 18 1759.67 6296.90634 6296.872 6.0 1 1 13 1874.37 6369.61431 6369.575 6.0 1 1 9 1898.10 6384.60947 6384.717 6.0 1 1 33 1948.32 6416.28818 6416.307 6.0 1 1 164 2249.60 6604.7962 6604.853 6.0 1 1 24 2366.67 6677.30514 6677.282 6.0 1 1 434 2489.43 6752.85676 6752.834 6.0 1 1 331 2683.54 6871.30086 6871.289 6.0 1 1 316 2839.43 6965.44076 6965.431 6.0 1 1 56184 2947.68 7030.26732 7030.251 6.0 1 1 319 3009.69 7067.19071 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 30.59957885742187 3009.69287109375 6129.213237262485 953.6312698012991 -14.58027978535482 -1.082519600176518 0.09555370171320616 -0.08654759391277928 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1266] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1266] units Angstroms features 32 30.63 5162.23615 5162.285 6.0 1 1 23 68.59 5187.68142 5187.746 6.0 1 1 31 118.89 5221.39376 5221.271 6.0 1 1 17 346.47 5373.6257 5373.494 6.0 1 1 5 417.94 5421.3095 5421.352 6.0 1 1 8 529.75 5495.74902 5495.874 6.0 1 1 43 624.64 5558.76097 5558.702 6.0 1 1 55 696.88 5606.62575 5606.733 6.0 1 1 53 822.52 5689.62306 5689.6401 6.0 1 1 8 acs: add; not Ar 898.16 5739.43289 5739.52 6.0 1 1 16 994.02 5802.36997 5802.08 6.0 1 1 8 acs: increase 1161.84 5912.04724 5912.085 6.0 1 1 47 1187.32 5928.63508 5928.8101 6.0 1 1 20 acs: add 1208.75 5942.57818 5942.6665 6.0 1 1 7 acs: add 1295.84 5999.11984 5998.999 6.0 1 1 7 weak 1318.49 6013.78979 6013.678 6.0 1 1 6 1346.82 6032.12425 6032.127 6.0 1 1 170 1364.04 6043.25774 6043.223 6.0 1 1 67 1389.09 6059.44223 6059.373 6.0 1 1 33 1460.41 6105.42462 6105.635 6.0 1 1 19 1522.83 6145.56349 6145.441 6.0 1 1 18 1759.67 6296.86929 6296.872 6.0 1 1 13 1874.31 6369.54273 6369.575 6.0 1 1 9 1898.26 6384.67873 6384.717 6.0 1 1 33 1948.38 6416.29352 6416.307 6.0 1 1 164 2249.73 6604.82806 6604.853 6.0 1 1 24 2366.83 6677.33207 6677.282 6.0 1 1 434 2489.58 6752.86625 6752.834 6.0 1 1 331 2683.66 6871.26845 6871.289 6.0 1 1 316 2839.54 6965.41616 6965.431 6.0 1 1 56184 2947.79 7030.26372 7030.251 6.0 1 1 319 3009.81 7067.21407 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 30.63412857055664 3009.808837890625 6129.19715288098 953.6424587805045 -14.58006024745761 -1.091019101062713 0.1080143556880536 -0.06247888759826427 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1271] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1271] units Angstroms features 32 30.81 5162.26086 5162.285 6.0 1 1 23 68.71 5187.68252 5187.746 6.0 1 1 31 118.96 5221.36903 5221.271 6.0 1 1 17 346.51 5373.60176 5373.494 6.0 1 1 5 417.99 5421.29471 5421.352 6.0 1 1 8 529.85 5495.77047 5495.874 6.0 1 1 43 624.71 5558.7611 5558.702 6.0 1 1 55 697.01 5606.66133 5606.733 6.0 1 1 53 822.58 5689.60459 5689.6401 6.0 1 1 8 acs: add; not Ar 898.26 5739.43671 5739.52 6.0 1 1 16 994.19 5802.41821 5802.08 6.0 1 1 8 acs: increase 1161.97 5912.05421 5912.085 6.0 1 1 47 1187.50 5928.6783 5928.8101 6.0 1 1 20 acs: add 1208.52 5942.352 5942.6665 6.0 1 1 7 acs: add 1296.14 5999.23676 5998.999 6.0 1 1 7 weak 1318.66 6013.82652 6013.678 6.0 1 1 6 1346.94 6032.12537 6032.127 6.0 1 1 170 1364.18 6043.27075 6043.223 6.0 1 1 67 1389.13 6059.38901 6059.373 6.0 1 1 33 1460.61 6105.47445 6105.635 6.0 1 1 19 1522.94 6145.54975 6145.441 6.0 1 1 18 1759.62 6296.74879 6296.872 6.0 1 1 13 1874.51 6369.57802 6369.575 6.0 1 1 9 1898.46 6384.71811 6384.717 6.0 1 1 33 1948.53 6416.29931 6416.307 6.0 1 1 164 2249.97 6604.88561 6604.853 6.0 1 1 24 2366.92 6677.29904 6677.282 6.0 1 1 434 2489.71 6752.86245 6752.834 6.0 1 1 331 2683.77 6871.25919 6871.289 6.0 1 1 316 2839.66 6965.41816 6965.431 6.0 1 1 56184 2947.85 7030.23821 7030.251 6.0 1 1 319 3009.94 7067.23841 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 30.80802917480469 3009.938720703125 6129.222792784824 953.6205680160284 -14.5747599581671 -1.073818805614933 0.101604784101034 -0.05797420772178816 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1276] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1276] units Angstroms features 32 30.89 5162.26369 5162.285 6.0 1 1 23 68.82 5187.71334 5187.746 6.0 1 1 31 119.00 5221.35618 5221.271 6.0 1 1 17 346.36 5373.47557 5373.494 6.0 1 1 5 418.10 5421.33092 5421.352 6.0 1 1 8 530.01 5495.83019 5495.874 6.0 1 1 43 624.83 5558.77852 5558.702 6.0 1 1 55 697.12 5606.66448 5606.733 6.0 1 1 53 822.86 5689.70645 5689.6401 6.0 1 1 8 acs: add; not Ar 898.41 5739.44975 5739.52 6.0 1 1 16 994.03 5802.21597 5802.08 6.0 1 1 8 acs: increase 1162.17 5912.08877 5912.085 6.0 1 1 47 1187.56 5928.61929 5928.8101 6.0 1 1 20 acs: add 1208.66 5942.34692 5942.6665 6.0 1 0 7 acs: add 1296.12 5999.12398 5998.999 6.0 1 1 7 weak 1318.46 6013.59828 6013.678 6.0 1 1 6 1347.02 6032.08149 6032.127 6.0 1 1 170 1364.32 6043.26347 6043.223 6.0 1 1 67 1389.33 6059.42408 6059.373 6.0 1 1 33 1460.94 6105.59619 6105.635 6.0 1 1 19 1523.15 6145.5982 6145.441 6.0 1 1 18 1759.58 6296.65389 6296.872 6.0 1 1 13 1874.71 6369.64535 6369.575 6.0 1 1 9 1898.57 6384.72419 6384.717 6.0 1 1 33 1948.65 6416.31543 6416.307 6.0 1 1 164 2250.04 6604.87837 6604.853 6.0 1 1 24 2366.97 6677.27631 6677.282 6.0 1 1 434 2489.81 6752.86154 6752.834 6.0 1 1 331 2683.90 6871.27008 6871.289 6.0 1 1 316 2839.79 6965.42831 6965.431 6.0 1 1 56184 2947.91 7030.20956 7030.251 6.0 1 1 319 3010.06 7067.25534 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 30.88979721069336 3010.059814453125 6129.225983453098 953.6203132979619 -14.55881299285235 -1.081957989468833 0.09234340410642877 -0.04253285022807353 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1281] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1281] units Angstroms features 32 31.00 5162.27744 5162.285 6.0 1 1 23 68.96 5187.73416 5187.746 6.0 1 1 31 119.02 5221.28586 5221.271 6.0 1 1 17 346.68 5373.58805 5373.494 6.0 1 1 5 418.12 5421.25472 5421.352 6.0 1 1 8 530.10 5495.81756 5495.874 6.0 1 1 43 624.92 5558.7819 5558.702 6.0 1 1 55 697.25 5606.7047 5606.733 6.0 1 1 53 822.94 5689.72841 5689.6401 6.0 1 1 8 acs: add; not Ar 898.38 5739.39798 5739.52 6.0 1 1 16 994.09 5802.23586 5802.08 6.0 1 1 8 acs: increase 1162.25 5912.11143 5912.085 6.0 1 1 47 1187.76 5928.71915 5928.8101 6.0 1 1 20 acs: add 1208.95 5942.49905 5942.6665 6.0 1 1 7 acs: add 1295.89 5998.93738 5998.999 6.0 1 1 7 weak 1318.61 6013.64837 6013.678 6.0 1 1 6 1347.08 6032.07404 6032.127 6.0 1 1 170 1364.46 6043.31033 6043.223 6.0 1 1 67 1389.46 6059.45404 6059.373 6.0 1 1 33 1461.12 6105.64897 6105.635 6.0 1 1 19 1523.29 6145.61299 6145.441 6.0 1 1 18 1759.91 6296.76718 6296.872 6.0 1 1 13 1874.85 6369.6243 6369.575 6.0 1 1 9 1898.81 6384.76584 6384.717 6.0 1 1 33 1948.71 6416.24539 6416.307 6.0 1 1 164 2250.11 6604.81813 6604.853 6.0 1 1 24 2367.07 6677.25129 6677.282 6.0 1 1 434 2489.93 6752.86132 6752.834 6.0 1 1 331 2684.07 6871.31336 6871.289 6.0 1 1 316 2839.93 6965.44579 6965.431 6.0 1 1 56184 2948.10 7030.23299 7030.251 6.0 1 1 319 3010.20 7067.21573 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 30.99850463867188 3010.19921875 6129.228188576198 953.6156852016824 -14.57032030633629 -1.071733911356816 0.08871498779723575 -0.07480487941927133 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1286] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1286] units Angstroms features 32 31.12 5162.26982 5162.285 6.0 1 1 23 69.13 5187.78 5187.746 6.0 1 1 31 119.06 5221.26443 5221.271 6.0 1 1 17 346.58 5373.51142 5373.494 6.0 1 1 5 418.18 5421.28673 5421.352 6.0 1 1 8 530.13 5495.81399 5495.874 6.0 1 1 43 625.02 5558.81531 5558.702 6.0 1 1 55 697.32 5606.70831 5606.733 6.0 1 1 53 822.96 5689.68387 5689.6401 6.0 1 1 8 acs: add; not Ar 898.52 5739.42477 5739.52 6.0 1 1 16 994.22 5802.24384 5802.08 6.0 1 1 8 acs: increase 1162.30 5912.066 5912.085 6.0 1 1 47 1187.93 5928.7483 5928.8101 6.0 1 1 20 acs: add 1208.78 5942.31394 5942.6665 6.0 1 0 7 acs: add 1296.01 5998.93445 5998.999 6.0 1 1 7 weak 1319.15 6013.92202 6013.678 6.0 1 0 6 1347.22 6032.08181 6032.127 6.0 1 1 170 1364.60 6043.31911 6043.223 6.0 1 1 67 1389.39 6059.33597 6059.373 6.0 1 1 33 1461.12 6105.57508 6105.635 6.0 1 1 19 1523.24 6145.51292 6145.441 6.0 1 1 18 1760.12 6296.84019 6296.872 6.0 1 1 13 1874.91 6369.60663 6369.575 6.0 1 1 9 1898.94 6384.79502 6384.717 6.0 1 1 33 1948.82 6416.25764 6416.307 6.0 1 1 164 2250.22 6604.82474 6604.853 6.0 1 1 24 2367.26 6677.29151 6677.282 6.0 1 1 434 2490.06 6752.85283 6752.834 6.0 1 1 331 2684.19 6871.27861 6871.289 6.0 1 1 316 2840.06 6965.40915 6965.431 6.0 1 1 56184 2948.33 7030.27017 7030.251 6.0 1 1 319 3010.35 7067.21657 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 31.11565017700195 3010.345458984375 6129.244476764754 953.5902854023194 -14.57888826634864 -1.066479652394191 0.07760571581794107 -0.05042941068942602 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1291] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1291] units Angstroms features 32 31.24 5162.27064 5162.285 6.0 1 1 23 69.17 5187.72251 5187.746 6.0 1 1 31 119.25 5221.30696 5221.271 6.0 1 1 17 346.80 5373.56369 5373.494 6.0 1 1 5 418.40 5421.33094 5421.352 6.0 1 1 8 530.23 5495.78293 5495.874 6.0 1 1 43 625.10 5558.77294 5558.702 6.0 1 1 55 697.42 5606.68293 5606.733 6.0 1 1 53 823.06 5689.66843 5689.6401 6.0 1 1 8 acs: add; not Ar 898.74 5739.49435 5739.52 6.0 1 1 16 994.09 5802.09377 5802.08 6.0 1 1 8 acs: increase 1162.40 5912.08197 5912.085 6.0 1 1 47 1187.93 5928.70461 5928.8101 6.0 1 1 20 acs: add 1208.88 5942.33237 5942.6665 6.0 1 0 7 acs: add 1296.28 5999.07178 5998.999 6.0 1 1 7 weak 1318.39 6013.39541 6013.678 6.0 1 0 6 1347.37 6032.15331 6032.127 6.0 1 1 170 1364.67 6043.33925 6043.223 6.0 1 1 67 1389.51 6059.38285 6059.373 6.0 1 1 33 1461.07 6105.52191 6105.635 6.0 1 1 19 1523.25 6145.49928 6145.441 6.0 1 1 18 1760.17 6296.8648 6296.872 6.0 1 1 13 1874.82 6369.53763 6369.575 6.0 1 1 9 1898.80 6384.68949 6384.717 6.0 1 1 33 1948.87 6416.27724 6416.307 6.0 1 1 164 2250.33 6604.84736 6604.853 6.0 1 1 24 2367.44 6677.34356 6677.282 6.0 1 1 434 2490.20 6752.86994 6752.834 6.0 1 1 331 2684.30 6871.25689 6871.289 6.0 1 1 316 2840.18 6965.38732 6965.431 6.0 1 1 56184 2948.49 7030.28145 7030.251 6.0 1 1 319 3010.47 7067.21846 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 31.24038314819336 3010.469482421875 6129.254948519362 953.5941732157976 -14.60952716592125 -1.07913891627527 0.09912482015072359 -0.04112508311463473 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1296] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1296] units Angstroms features 32 31.32 5162.25882 5162.285 6.0 1 1 23 69.25 5187.69178 5187.746 6.0 1 1 31 119.41 5221.30469 5221.271 6.0 1 1 17 347.26 5373.72901 5373.494 6.0 1 1 5 418.56 5421.30264 5421.352 6.0 1 1 8 530.40 5495.77339 5495.874 6.0 1 1 43 625.20 5558.73222 5558.702 6.0 1 1 55 697.57 5606.68396 5606.733 6.0 1 1 53 823.07 5689.59496 5689.6401 6.0 1 1 8 acs: add; not Ar 898.76 5739.43823 5739.52 6.0 1 1 16 994.08 5802.02843 5802.08 6.0 1 1 8 acs: increase 1162.63 5912.18145 5912.085 6.0 1 1 47 1188.10 5928.76146 5928.8101 6.0 1 1 20 acs: add 1209.32 5942.57111 5942.6665 6.0 1 1 7 acs: add 1296.51 5999.1742 5998.999 6.0 1 1 7 weak 1318.70 6013.54544 6013.678 6.0 1 1 6 1347.52 6032.1959 6032.127 6.0 1 1 170 1364.76 6043.34651 6043.223 6.0 1 1 67 1389.72 6059.46946 6059.373 6.0 1 1 33 1461.18 6105.53715 6105.635 6.0 1 1 19 1523.51 6145.6113 6145.441 6.0 1 1 18 1760.33 6296.8898 6296.872 6.0 1 1 13 1874.70 6369.38262 6369.575 6.0 1 1 9 1898.78 6384.59717 6384.717 6.0 1 1 33 1949.00 6416.27185 6416.307 6.0 1 1 164 2250.63 6604.95075 6604.853 6.0 1 1 24 2367.54 6677.32365 6677.282 6.0 1 1 434 2490.32 6752.86572 6752.834 6.0 1 1 331 2684.41 6871.26012 6871.289 6.0 1 1 316 2840.31 6965.39987 6965.431 6.0 1 1 56184 2948.65 7030.29502 7030.251 6.0 1 1 319 3010.59 7067.19502 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 31.31843185424805 3010.594482421875 6129.234165727386 953.6189057516988 -14.62233169695144 -1.085142865093974 0.1150872815221042 -0.0656622378549108 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1301] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1301] units Angstroms features 32 31.42 5162.24724 5162.285 6.0 1 1 23 69.40 5187.71683 5187.746 6.0 1 1 31 119.50 5221.28998 5221.271 6.0 1 1 17 347.45 5373.77774 5373.494 6.0 1 1 5 418.61 5421.25382 5421.352 6.0 1 1 8 530.53 5495.77169 5495.874 6.0 1 1 43 625.32 5558.71748 5558.702 6.0 1 1 55 697.71 5606.68053 5606.733 6.0 1 1 53 823.10 5689.51219 5689.6401 6.0 1 1 8 acs: add; not Ar 898.94 5739.45155 5739.52 6.0 1 1 16 994.52 5802.20507 5802.08 6.0 1 1 8 acs: increase 1162.76 5912.14347 5912.085 6.0 1 1 47 1188.10 5928.64475 5928.8101 6.0 1 1 20 acs: add 1209.67 5942.67267 5942.6665 6.0 1 1 7 acs: add 1296.51 5999.0461 5998.999 6.0 1 1 7 weak 1319.52 6013.953 6013.678 6.0 1 1 6 1347.61 6032.13052 6032.127 6.0 1 1 170 1364.86 6043.28338 6043.223 6.0 1 1 67 1389.72 6059.34107 6059.373 6.0 1 1 33 1461.37 6105.53086 6105.635 6.0 1 1 19 1523.48 6145.46147 6145.441 6.0 1 1 18 1760.59 6296.92778 6296.872 6.0 1 1 13 1874.96 6369.42714 6369.575 6.0 1 1 9 1898.99 6384.61106 6384.717 6.0 1 1 33 1949.23 6416.29874 6416.307 6.0 1 1 164 2250.81 6604.95559 6604.853 6.0 1 1 24 2367.67 6677.30627 6677.282 6.0 1 1 434 2490.46 6752.85816 6752.834 6.0 1 1 331 2684.53 6871.24616 6871.289 6.0 1 1 316 2840.46 6965.40668 6965.431 6.0 1 1 56184 2948.80 7030.30276 7030.251 6.0 1 1 319 3010.73 7067.19197 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 31.41831588745118 3010.72998046875 6129.214510633204 953.6220166689067 -14.59984253898152 -1.084214969591329 0.104935005139457 -0.06543694432584624 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1306] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1306] units Angstroms features 32 31.51 5162.26887 5162.285 6.0 1 1 23 69.48 5187.7179 5187.746 6.0 1 1 31 119.60 5221.29578 5221.271 6.0 1 1 17 347.45 5373.69959 5373.494 6.0 1 1 5 418.68 5421.22089 5421.352 6.0 1 1 8 530.66 5495.78227 5495.874 6.0 1 1 43 625.43 5558.72333 5558.702 6.0 1 1 55 697.86 5606.7161 5606.733 6.0 1 1 53 823.33 5689.60819 5689.6401 6.0 1 1 8 acs: add; not Ar 899.17 5739.55165 5739.52 6.0 1 1 16 994.90 5802.40715 5802.08 6.0 1 0 8 acs: increase 1162.84 5912.15281 5912.085 6.0 1 1 47 1188.17 5928.64688 5928.8101 6.0 1 1 20 acs: add 1209.95 5942.81057 5942.6665 6.0 1 1 7 acs: add 1296.47 5998.97639 5998.999 6.0 1 1 7 weak 1319.15 6013.66445 6013.678 6.0 1 1 6 1347.74 6032.16448 6032.127 6.0 1 1 170 1365.01 6043.33138 6043.223 6.0 1 1 67 1389.81 6059.34991 6059.373 6.0 1 1 33 1461.54 6105.58397 6105.635 6.0 1 1 19 1523.46 6145.39108 6145.441 6.0 1 1 18 1760.74 6296.94372 6296.872 6.0 1 1 13 1875.29 6369.54055 6369.575 6.0 1 1 9 1899.18 6384.63848 6384.717 6.0 1 1 33 1949.37 6416.28981 6416.307 6.0 1 1 164 2250.94 6604.92702 6604.853 6.0 1 1 24 2367.79 6677.27066 6677.282 6.0 1 1 434 2490.63 6752.85557 6752.834 6.0 1 1 331 2684.71 6871.25939 6871.289 6.0 1 1 316 2840.61 6965.41712 6965.431 6.0 1 1 56184 2948.87 7030.27285 7030.251 6.0 1 1 319 3010.88 7067.21205 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 31.51089859008789 3010.878173828125 6129.21664614311 953.6200657975022 -14.59742694851265 -1.071010837515681 0.1212378901709266 -0.07746520686813508 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1311] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1311] units Angstroms features 32 31.66 5162.27501 5162.285 6.0 1 1 23 69.61 5187.72785 5187.746 6.0 1 1 31 119.71 5221.31296 5221.271 6.0 1 1 17 347.24 5373.52803 5373.494 6.0 1 1 5 418.87 5421.31504 5421.352 6.0 1 1 8 530.77 5495.80468 5495.874 6.0 1 1 43 625.56 5558.74661 5558.702 6.0 1 1 55 697.98 5606.71724 5606.733 6.0 1 1 53 823.52 5689.63693 5689.6401 6.0 1 1 8 acs: add; not Ar 899.25 5739.49517 5739.52 6.0 1 1 16 994.80 5802.22556 5802.08 6.0 1 1 8 acs: increase 1163.01 5912.13435 5912.085 6.0 1 1 47 1188.35 5928.6353 5928.8101 6.0 1 1 20 acs: add 1209.89 5942.6452 5942.6665 6.0 1 1 7 acs: add 1296.49 5998.86544 5998.999 6.0 1 1 7 weak 1319.59 6013.82886 6013.678 6.0 1 1 6 1347.86 6032.12291 6032.127 6.0 1 1 170 1365.15 6043.3002 6043.223 6.0 1 1 67 1390.10 6059.41343 6059.373 6.0 1 1 33 1461.75 6105.60952 6105.635 6.0 1 1 19 1523.71 6145.43848 6145.441 6.0 1 1 18 1760.61 6296.77143 6296.872 6.0 1 1 13 1875.57 6369.64404 6369.575 6.0 1 1 9 1899.37 6384.67879 6384.717 6.0 1 1 33 1949.46 6416.27764 6416.307 6.0 1 1 164 2251.08 6604.94082 6604.853 6.0 1 1 24 2367.92 6677.27262 6677.282 6.0 1 1 434 2490.76 6752.84905 6752.834 6.0 1 1 331 2684.87 6871.25465 6871.289 6.0 1 1 316 2840.75 6965.40156 6965.431 6.0 1 1 56184 2948.99 7030.26016 7030.251 6.0 1 1 319 3011.03 7067.23418 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 31.65840530395508 3011.025146484375 6129.229546350091 953.6016472038685 -14.58273279636993 -1.072958091582044 0.1077828689864941 -0.04910591747675683 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1316] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1316] units Angstroms features 32 31.77 5162.26733 5162.285 6.0 1 1 23 69.71 5187.71825 5187.746 6.0 1 1 31 119.85 5221.34108 5221.271 6.0 1 1 17 347.19 5373.45209 5373.494 6.0 1 1 5 419.05 5421.3857 5421.352 6.0 1 1 8 530.85 5495.81072 5495.874 6.0 1 1 43 625.66 5558.75764 5558.702 6.0 1 1 55 698.06 5606.71495 5606.733 6.0 1 1 53 823.68 5689.67691 5689.6401 6.0 1 1 8 acs: add; not Ar 899.29 5739.45312 5739.52 6.0 1 1 16 994.85 5802.1833 5802.08 6.0 1 1 8 acs: increase 1163.12 5912.12232 5912.085 6.0 1 1 47 1188.61 5928.71799 5928.8101 6.0 1 1 20 acs: add 1209.85 5942.53338 5942.6665 6.0 1 1 7 acs: add 1296.79 5998.97367 5998.999 6.0 1 1 7 weak 1319.85 6013.91108 6013.678 6.0 1 0 6 1347.97 6032.10581 6032.127 6.0 1 1 170 1365.33 6043.32748 6043.223 6.0 1 1 67 1390.28 6059.44403 6059.373 6.0 1 1 33 1461.94 6105.63758 6105.635 6.0 1 1 19 1523.95 6145.51015 6145.441 6.0 1 1 18 1760.45 6296.58985 6296.872 6.0 1 0 13 1875.47 6369.50177 6369.575 6.0 1 1 9 1899.51 6384.68942 6384.717 6.0 1 1 33 1949.56 6416.26282 6416.307 6.0 1 1 164 2251.14 6604.91141 6604.853 6.0 1 1 24 2368.08 6677.3039 6677.282 6.0 1 1 434 2490.90 6752.86776 6752.834 6.0 1 1 331 2684.98 6871.24609 6871.289 6.0 1 1 316 2840.89 6965.40092 6965.431 6.0 1 1 56184 2949.19 7030.27673 7030.251 6.0 1 1 319 3011.19 7067.21937 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 31.77382469177246 3011.18798828125 6129.242152685433 953.5963960902948 -14.58918192697729 -1.075141573343959 0.09037605427408424 -0.04523515881214556 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1321] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1321] units Angstroms features 32 31.84 5162.27491 5162.285 6.0 1 1 23 69.77 5187.71603 5187.746 6.0 1 1 31 119.89 5221.31979 5221.271 6.0 1 1 17 347.42 5373.52244 5373.494 6.0 1 1 5 419.12 5421.34468 5421.352 6.0 1 1 8 531.00 5495.81426 5495.874 6.0 1 1 43 625.83 5558.76722 5558.702 6.0 1 1 55 698.18 5606.68554 5606.733 6.0 1 1 53 823.80 5689.64729 5689.6401 6.0 1 1 8 acs: add; not Ar 899.37 5739.40077 5739.52 6.0 1 1 16 995.08 5802.22888 5802.08 6.0 1 1 8 acs: increase 1163.11 5912.03311 5912.085 6.0 1 1 47 1188.74 5928.71695 5928.8101 6.0 1 1 20 acs: add 1210.24 5942.70711 5942.6665 6.0 1 1 7 acs: add 1297.00 5999.03183 5998.999 6.0 1 1 7 weak 1320.10 6013.99909 6013.678 6.0 1 0 6 1348.09 6032.11074 6032.127 6.0 1 1 170 1365.42 6043.31799 6043.223 6.0 1 1 67 1390.37 6059.4373 6059.373 6.0 1 1 33 1461.94 6105.57988 6105.635 6.0 1 1 19 1524.10 6145.54758 6145.441 6.0 1 1 18 1760.68 6296.69272 6296.872 6.0 1 1 13 1875.51 6369.48331 6369.575 6.0 1 1 9 1899.66 6384.74128 6384.717 6.0 1 1 33 1949.70 6416.30301 6416.307 6.0 1 1 164 2251.32 6604.9581 6604.853 6.0 1 1 24 2368.22 6677.31538 6677.282 6.0 1 1 434 2491.06 6752.87686 6752.834 6.0 1 1 331 2685.11 6871.22197 6871.289 6.0 1 1 316 2841.04 6965.39198 6965.431 6.0 1 1 56184 2949.24 7030.23032 7030.251 6.0 1 1 319 3011.36 7067.26645 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 31.84003067016602 3011.36083984375 6129.243678748091 953.6187372286345 -14.58603140125346 -1.092375292453478 0.1130349642329515 -0.03059254395919556 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1326] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1326] units Angstroms features 32 32.04 5162.31447 5162.285 6.0 1 1 23 69.85 5187.68047 5187.746 6.0 1 1 31 120.02 5221.3253 5221.271 6.0 1 1 17 347.47 5373.48853 5373.494 6.0 1 1 5 419.14 5421.29659 5421.352 6.0 1 1 8 531.15 5495.84689 5495.874 6.0 1 1 43 626.01 5558.82223 5558.702 6.0 1 1 55 698.30 5606.70438 5606.733 6.0 1 1 53 823.86 5689.61855 5689.6401 6.0 1 1 8 acs: add; not Ar 899.55 5739.44561 5739.52 6.0 1 1 16 995.17 5802.2173 5802.08 6.0 1 1 8 acs: increase 1163.21 5912.01852 5912.085 6.0 1 1 47 1188.87 5928.72977 5928.8101 6.0 1 1 20 acs: add 1210.31 5942.67377 5942.6665 6.0 1 1 7 acs: add 1297.07 5999.00436 5998.999 6.0 1 1 7 weak 1319.90 6013.79275 6013.678 6.0 1 1 6 1348.21 6032.1152 6032.127 6.0 1 1 170 1365.47 6043.27147 6043.223 6.0 1 1 67 1390.44 6059.40216 6059.373 6.0 1 1 33 1461.93 6105.49978 6105.635 6.0 1 1 19 1524.14 6145.49744 6145.441 6.0 1 1 18 1761.02 6296.83436 6296.872 6.0 1 1 13 1875.71 6369.53377 6369.575 6.0 1 1 9 1899.72 6384.7076 6384.717 6.0 1 1 33 1949.84 6416.32121 6416.307 6.0 1 1 164 2251.32 6604.8792 6604.853 6.0 1 1 24 2368.33 6677.30573 6677.282 6.0 1 1 434 2491.22 6752.88821 6752.834 6.0 1 1 331 2685.29 6871.24341 6871.289 6.0 1 1 316 2841.19 6965.38898 6965.431 6.0 1 1 56184 2949.40 7030.2373 7030.251 6.0 1 1 319 3011.50 7067.25838 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 32.04022598266602 3011.499267578125 6129.273359285476 953.5861842957794 -14.59483192282615 -1.088251117750567 0.1078978833680966 -0.02598087764982778 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1331] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1331] units Angstroms features 32 32.27 5162.36359 5162.285 6.0 1 1 23 69.94 5187.64156 5187.746 6.0 1 1 31 120.13 5221.30227 5221.271 6.0 1 1 17 347.60 5373.50466 5373.494 6.0 1 1 5 419.24 5421.28847 5421.352 6.0 1 1 8 531.21 5495.82426 5495.874 6.0 1 1 43 626.11 5558.82618 5558.702 6.0 1 1 55 698.42 5606.71977 5606.733 6.0 1 1 53 823.99 5689.64087 5689.6401 6.0 1 1 8 acs: add; not Ar 899.73 5739.50229 5739.52 6.0 1 1 16 995.19 5802.17255 5802.08 6.0 1 1 8 acs: increase 1163.42 5912.09585 5912.085 6.0 1 1 47 1189.02 5928.76996 5928.8101 6.0 1 1 20 acs: add 1210.19 5942.54058 5942.6665 6.0 1 1 7 acs: add 1297.17 5999.00545 5998.999 6.0 1 1 7 weak 1319.87 6013.71667 6013.678 6.0 1 1 6 1348.34 6032.13563 6032.127 6.0 1 1 170 1365.57 6043.28166 6043.223 6.0 1 1 67 1390.45 6059.35025 6059.373 6.0 1 1 33 1462.06 6105.52339 6105.635 6.0 1 1 19 1524.26 6145.52075 6145.441 6.0 1 1 18 1761.16 6296.87089 6296.872 6.0 1 1 13 1875.83 6369.55952 6369.575 6.0 1 1 9 1899.84 6384.72809 6384.717 6.0 1 1 33 1949.92 6416.31893 6416.307 6.0 1 1 164 2251.34 6604.83997 6604.853 6.0 1 1 24 2368.39 6677.28493 6677.282 6.0 1 1 434 2491.31 6752.88634 6752.834 6.0 1 1 331 2685.44 6871.26078 6871.289 6.0 1 1 316 2841.33 6965.38137 6965.431 6.0 1 1 56184 2949.67 7030.28316 7030.251 6.0 1 1 319 3011.65 7067.22307 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 32.27412796020508 3011.6533203125 6129.320412226307 953.5500608136924 -14.62560128334197 -1.094510309109524 0.09852062365977112 -0.02581074621594552 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1336] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1336] units Angstroms features 32 32.34 5162.3241 5162.285 6.0 1 1 23 70.14 5187.68575 5187.746 6.0 1 1 31 120.25 5221.2831 5221.271 6.0 1 1 17 347.81 5373.54239 5373.494 6.0 1 1 5 419.40 5421.30262 5421.352 6.0 1 1 8 531.33 5495.82062 5495.874 6.0 1 1 43 626.18 5558.7955 5558.702 6.0 1 1 55 698.55 5606.72844 5606.733 6.0 1 1 53 824.14 5689.6718 5689.6401 6.0 1 1 8 acs: add; not Ar 899.78 5739.46977 5739.52 6.0 1 1 16 995.24 5802.13072 5802.08 6.0 1 1 8 acs: increase 1163.49 5912.06353 5912.085 6.0 1 1 47 1189.16 5928.77351 5928.8101 6.0 1 1 20 acs: add 1210.25 5942.48962 5942.6665 6.0 1 1 7 acs: add 1297.26 5998.96808 5998.999 6.0 1 1 7 weak 1320.26 6013.86924 6013.678 6.0 1 1 6 1348.44 6032.10416 6032.127 6.0 1 1 170 1365.72 6043.27239 6043.223 6.0 1 1 67 1390.58 6059.33039 6059.373 6.0 1 1 33 1462.27 6105.54387 6105.635 6.0 1 1 19 1524.62 6145.62647 6145.441 6.0 1 1 18 1761.30 6296.82177 6296.872 6.0 1 1 13 1876.19 6369.64748 6369.575 6.0 1 1 9 1899.96 6384.66239 6384.717 6.0 1 1 33 1950.09 6416.28771 6416.307 6.0 1 1 164 2251.48 6604.81623 6604.853 6.0 1 1 24 2368.51 6677.26826 6677.282 6.0 1 1 434 2491.41 6752.8777 6752.834 6.0 1 1 331 2685.58 6871.29624 6871.289 6.0 1 1 316 2841.47 6965.41406 6965.431 6.0 1 1 56184 2949.78 7030.26993 7030.251 6.0 1 1 319 3011.80 7067.20585 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 32.33892059326172 3011.801025390625 6129.296781616777 953.5780546752775 -14.613661900453 -1.08483513471019 0.08185233278881741 -0.05234457228623101 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1341] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1341] units Angstroms features 32 32.46 5162.29461 5162.285 6.0 1 1 23 70.32 5187.7031 5187.746 6.0 1 1 31 120.44 5221.31163 5221.271 6.0 1 1 17 347.85 5373.48523 5373.494 6.0 1 1 5 419.62 5421.36323 5421.352 6.0 1 1 8 531.47 5495.82692 5495.874 6.0 1 1 43 626.27 5558.77172 5558.702 6.0 1 1 55 698.65 5606.71231 5606.733 6.0 1 1 53 824.24 5689.6575 5689.6401 6.0 1 1 8 acs: add; not Ar 899.91 5739.46663 5739.52 6.0 1 1 16 995.36 5802.12248 5802.08 6.0 1 1 8 acs: increase 1163.64 5912.06815 5912.085 6.0 1 1 47 1189.32 5928.78724 5928.8101 6.0 1 1 20 acs: add 1210.48 5942.54837 5942.6665 6.0 1 1 7 acs: add 1297.64 5999.12115 5998.999 6.0 1 1 7 weak 1320.12 6013.68128 6013.678 6.0 1 1 6 1348.60 6032.10953 6032.127 6.0 1 1 170 1365.91 6043.29784 6043.223 6.0 1 1 67 1390.67 6059.28659 6059.373 6.0 1 1 33 1462.54 6105.61987 6105.635 6.0 1 1 19 1524.75 6145.60903 6145.441 6.0 1 1 18 1761.40 6296.77485 6296.872 6.0 1 1 13 1876.25 6369.57386 6369.575 6.0 1 1 9 1900.14 6384.66365 6384.717 6.0 1 1 33 1950.28 6416.29481 6416.307 6.0 1 1 164 2251.80 6604.89755 6604.853 6.0 1 1 24 2368.77 6677.30914 6677.282 6.0 1 1 434 2491.56 6752.85354 6752.834 6.0 1 1 331 2685.68 6871.24762 6871.289 6.0 1 1 316 2841.64 6965.41755 6965.431 6.0 1 1 56184 2949.92 7030.26953 7030.251 6.0 1 1 319 3011.94 7067.21719 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 32.45566177368164 3011.94189453125 6129.280894383289 953.5783692943698 -14.60819214784473 -1.067803343619355 0.0831963190989387 -0.04927824834325756 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1346] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1346] units Angstroms features 32 32.47 5162.27536 5162.285 6.0 1 1 23 70.42 5187.72907 5187.746 6.0 1 1 31 120.51 5221.302 5221.271 6.0 1 1 17 348.11 5373.56139 5373.494 6.0 1 1 5 419.64 5421.28402 5421.352 6.0 1 1 8 531.60 5495.82194 5495.874 6.0 1 1 43 626.41 5558.78119 5558.702 6.0 1 1 55 698.73 5606.68541 5606.733 6.0 1 1 53 824.33 5689.64853 5689.6401 6.0 1 1 8 acs: add; not Ar 900.05 5739.50047 5739.52 6.0 1 1 16 995.39 5802.08767 5802.08 6.0 1 1 8 acs: increase 1163.81 5912.13605 5912.085 6.0 1 1 47 1189.41 5928.79766 5928.8101 6.0 1 1 20 acs: add 1210.65 5942.61607 5942.6665 6.0 1 1 7 acs: add 1297.93 5999.26748 5998.999 6.0 1 0 7 weak 1320.11 6013.63142 6013.678 6.0 1 1 6 1348.76 6032.16905 6032.127 6.0 1 1 170 1366.11 6043.38826 6043.223 6.0 1 1 67 1390.73 6059.28653 6059.373 6.0 1 1 33 1462.57 6105.59316 6105.635 6.0 1 1 19 1524.70 6145.53195 6145.441 6.0 1 1 18 1761.56 6296.81562 6296.872 6.0 1 1 13 1876.11 6369.41262 6369.575 6.0 1 1 9 1900.37 6384.73944 6384.717 6.0 1 1 33 1950.45 6416.32402 6416.307 6.0 1 1 164 2252.05 6604.95454 6604.853 6.0 1 1 24 2368.96 6677.31761 6677.282 6.0 1 1 434 2491.74 6752.8481 6752.834 6.0 1 1 331 2685.81 6871.21291 6871.289 6.0 1 1 316 2841.81 6965.41217 6965.431 6.0 1 1 56184 2950.09 7030.27666 7030.251 6.0 1 1 319 3012.10 7067.2238 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 32.46891784667969 3012.103271484375 6129.257546592908 953.5994298670742 -14.61727312733916 -1.067761297941209 0.1093088811325056 -0.05744611120086992 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1351] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1351] units Angstroms features 32 32.52 5162.24886 5162.285 6.0 1 1 23 70.51 5187.71383 5187.746 6.0 1 1 31 120.66 5221.31474 5221.271 6.0 1 1 17 348.47 5373.68192 5373.494 6.0 1 1 5 419.81 5421.26927 5421.352 6.0 1 1 8 531.78 5495.81386 5495.874 6.0 1 1 43 626.57 5558.7582 5558.702 6.0 1 1 55 698.87 5606.65478 5606.733 6.0 1 1 53 824.43 5689.59326 5689.6401 6.0 1 1 8 acs: add; not Ar 900.16 5739.45703 5739.52 6.0 1 1 16 995.53 5802.07055 5802.08 6.0 1 1 8 acs: increase 1164.00 5912.1468 5912.085 6.0 1 1 47 1189.57 5928.79818 5928.8101 6.0 1 1 20 acs: add 1210.91 5942.67616 5942.6665 6.0 1 1 7 acs: add 1297.96 5999.17805 5998.999 6.0 1 1 7 weak 1320.03 6013.47178 6013.678 6.0 1 1 6 1348.90 6032.15574 6032.127 6.0 1 1 170 1366.30 6043.40189 6043.223 6.0 1 1 67 1391.07 6059.39919 6059.373 6.0 1 1 33 1462.66 6105.54687 6105.635 6.0 1 1 19 1524.75 6145.45847 6145.441 6.0 1 1 18 1761.83 6296.87486 6296.872 6.0 1 1 13 1876.34 6369.44646 6369.575 6.0 1 1 9 1900.55 6384.74257 6384.717 6.0 1 1 33 1950.57 6416.28829 6416.307 6.0 1 1 164 2252.06 6604.85987 6604.853 6.0 1 1 24 2369.09 6677.30508 6677.282 6.0 1 1 434 2491.91 6752.8662 6752.834 6.0 1 1 331 2686.05 6871.28009 6871.289 6.0 1 1 316 2841.95 6965.40929 6965.431 6.0 1 1 56184 2950.28 7030.28286 7030.251 6.0 1 1 319 3012.27 7067.1987 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 32.51955413818359 3012.268554687499 6129.221888663884 953.6321886509728 -14.60984656470083 -1.085384316571406 0.1117360794752805 -0.07188544023456304 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1356] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1356] units Angstroms features 32 32.70 5162.26055 5162.285 6.0 1 1 23 70.65 5187.70707 5187.746 6.0 1 1 31 120.78 5221.30499 5221.271 6.0 1 1 17 348.56 5373.6594 5373.494 6.0 1 1 5 420.02 5421.32483 5421.352 6.0 1 1 8 531.88 5495.78845 5495.874 6.0 1 1 43 626.69 5558.74236 5558.702 6.0 1 1 55 699.03 5606.66679 5606.733 6.0 1 1 53 824.54 5689.5653 5689.6401 6.0 1 1 8 acs: add; not Ar 900.34 5739.47052 5739.52 6.0 1 1 16 995.79 5802.13121 5802.08 6.0 1 1 8 acs: increase 1164.20 5912.17086 5912.085 6.0 1 1 47 1189.61 5928.71944 5928.8101 6.0 1 1 20 acs: add 1211.15 5942.7274 5942.6665 6.0 1 1 7 acs: add 1297.81 5998.98318 5998.999 6.0 1 1 7 weak 1320.31 6013.55619 6013.678 6.0 1 1 6 1349.05 6032.15255 6032.127 6.0 1 1 170 1366.36 6043.34512 6043.223 6.0 1 1 67 1391.30 6059.45291 6059.373 6.0 1 1 33 1462.88 6105.59586 6105.635 6.0 1 1 19 1524.98 6145.51615 6145.441 6.0 1 1 18 1761.94 6296.87255 6296.872 6.0 1 1 13 1876.49 6369.47168 6369.575 6.0 1 1 9 1900.53 6384.66172 6384.717 6.0 1 1 33 1950.70 6416.30254 6416.307 6.0 1 1 164 2252.20 6604.86754 6604.853 6.0 1 1 24 2369.22 6677.30318 6677.282 6.0 1 1 434 2492.09 6752.88036 6752.834 6.0 1 1 331 2686.23 6871.27885 6871.289 6.0 1 1 316 2842.12 6965.39339 6965.431 6.0 1 1 56184 2950.48 7030.29262 7030.251 6.0 1 1 319 3012.44 7067.19811 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 32.69617080688477 3012.4384765625 6129.237507719603 953.6188528701305 -14.61877537877854 -1.093349954667127 0.1105989166602562 -0.0567199800258333 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1361] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1361] units Angstroms features 32 32.74 5162.22716 5162.285 6.0 1 1 23 70.80 5187.7444 5187.746 6.0 1 1 31 120.92 5221.33777 5221.271 6.0 1 1 17 348.58 5373.59779 5373.494 6.0 1 1 5 420.13 5421.32187 5421.352 6.0 1 1 8 531.95 5495.74861 5495.874 6.0 1 1 43 626.82 5558.72823 5558.702 6.0 1 1 55 699.20 5606.6677 5606.733 6.0 1 1 53 824.98 5689.73924 5689.6401 6.0 1 1 8 acs: add; not Ar 900.51 5739.46485 5739.52 6.0 1 1 16 996.02 5802.16597 5802.08 6.0 1 1 8 acs: increase 1164.30 5912.1224 5912.085 6.0 1 1 47 1189.67 5928.64068 5928.8101 6.0 1 1 20 acs: add 1211.08 5942.56818 5942.6665 6.0 1 1 7 acs: add 1298.12 5999.07334 5998.999 6.0 1 1 7 weak 1320.63 6013.65645 6013.678 6.0 1 1 6 1349.17 6032.12568 6032.127 6.0 1 1 170 1366.54 6043.35366 6043.223 6.0 1 1 67 1391.51 6059.48546 6059.373 6.0 1 1 33 1462.92 6105.52003 6105.635 6.0 1 1 19 1525.20 6145.55951 6145.441 6.0 1 1 18 1762.01 6296.82959 6296.872 6.0 1 1 13 1876.65 6369.4903 6369.575 6.0 1 1 9 1900.64 6384.64593 6384.717 6.0 1 1 33 1950.85 6416.31192 6416.307 6.0 1 1 164 2252.43 6604.91718 6604.853 6.0 1 1 24 2369.38 6677.30243 6677.282 6.0 1 1 434 2492.26 6752.87561 6752.834 6.0 1 1 331 2686.39 6871.25695 6871.289 6.0 1 1 316 2842.29 6965.38724 6965.431 6.0 1 1 56184 2950.60 7030.27199 7030.251 6.0 1 1 319 3012.61 7067.22558 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 32.74093246459961 3012.607177734375 6129.213473300643 953.6418678252752 -14.60598809906218 -1.100615571448425 0.1188871342381767 -0.04204386114325219 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1366] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1366] units Angstroms features 32 32.97 5162.28198 5162.285 6.0 1 1 23 70.90 5187.702 5187.746 6.0 1 1 31 121.05 5221.29923 5221.271 6.0 1 1 17 348.90 5373.67323 5373.494 6.0 1 1 5 420.23 5421.26011 5421.352 6.0 1 1 8 532.14 5495.75649 5495.874 6.0 1 1 43 626.98 5558.73126 5558.702 6.0 1 1 55 699.32 5606.65615 5606.733 6.0 1 1 53 825.24 5689.83277 5689.6401 6.0 1 1 8 acs: add; not Ar 900.56 5739.42112 5739.52 6.0 1 1 16 996.00 5802.07977 5802.08 6.0 1 1 8 acs: increase 1164.46 5912.15349 5912.085 6.0 1 1 47 1189.84 5928.68024 5928.8101 6.0 1 1 20 acs: add 1211.18 5942.56041 5942.6665 6.0 1 1 7 acs: add 1298.46 5999.21577 5998.999 6.0 1 1 7 weak 1320.49 6013.48039 6013.678 6.0 1 1 6 1349.31 6032.13237 6032.127 6.0 1 1 170 1366.74 6043.40045 6043.223 6.0 1 1 67 1391.64 6059.47747 6059.373 6.0 1 1 33 1463.03 6105.49489 6105.635 6.0 1 1 19 1525.30 6145.52671 6145.441 6.0 1 1 18 1762.22 6296.84354 6296.872 6.0 1 1 13 1876.94 6369.54246 6369.575 6.0 1 1 9 1900.87 6384.66126 6384.717 6.0 1 1 33 1950.99 6416.26928 6416.307 6.0 1 1 164 2252.68 6604.94238 6604.853 6.0 1 1 24 2369.54 6677.2769 6677.282 6.0 1 1 434 2492.38 6752.84472 6752.834 6.0 1 1 331 2686.56 6871.27782 6871.289 6.0 1 1 316 2842.45 6965.41006 6965.431 6.0 1 1 56184 2950.70 7030.24778 7030.251 6.0 1 1 319 3012.78 7067.2312 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 32.97001266479492 3012.78271484375 6129.238602455229 953.6274681534011 -14.6060926332552 -1.085973917867589 0.1240821207784583 -0.06688155941819466 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1371] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1371] units Angstroms features 32 33.21 5162.29471 5162.285 6.0 1 1 23 71.11 5187.71811 5187.746 6.0 1 1 31 121.14 5221.26473 5221.271 6.0 1 1 17 348.88 5373.627 5373.494 6.0 1 1 5 420.30 5421.27187 5421.352 6.0 1 1 8 532.27 5495.8104 5495.874 6.0 1 1 43 627.11 5558.7768 5558.702 6.0 1 1 55 699.41 5606.66283 5606.733 6.0 1 1 53 825.23 5689.75181 5689.6401 6.0 1 1 8 acs: add; not Ar 900.74 5739.45992 5739.52 6.0 1 1 16 996.10 5802.04855 5802.08 6.0 1 1 8 acs: increase 1164.58 5912.12382 5912.085 6.0 1 1 47 1190.06 5928.70816 5928.8101 6.0 1 1 20 acs: add 1211.25 5942.48792 5942.6665 6.0 1 1 7 acs: add 1298.56 5999.15765 5998.999 6.0 1 1 7 weak 1320.56 6013.40792 6013.678 6.0 1 0 6 1349.49 6032.12111 6032.127 6.0 1 1 170 1366.83 6043.32907 6043.223 6.0 1 1 67 1391.75 6059.42349 6059.373 6.0 1 1 33 1463.46 6105.65183 6105.635 6.0 1 1 19 1525.38 6145.44853 6145.441 6.0 1 1 18 1762.40 6296.84255 6296.872 6.0 1 1 13 1877.18 6369.58664 6369.575 6.0 1 1 9 1901.03 6384.65733 6384.717 6.0 1 1 33 1951.13 6416.25245 6416.307 6.0 1 1 164 2252.73 6604.89427 6604.853 6.0 1 1 24 2369.68 6677.28712 6677.282 6.0 1 1 434 2492.51 6752.85056 6752.834 6.0 1 1 331 2686.71 6871.2857 6871.289 6.0 1 1 316 2842.63 6965.41577 6965.431 6.0 1 1 56184 2950.90 7030.25766 7030.251 6.0 1 1 319 3012.96 7067.21733 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 33.21294021606446 3012.958984375 6129.280724166991 953.5885648943518 -14.6112742751545 -1.074909301540101 0.08657033634616968 -0.05234943180160577 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1376] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1376] units Angstroms features 32 33.25 5162.24615 5162.285 6.0 1 1 23 71.27 5187.74763 5187.746 6.0 1 1 31 121.33 5221.31337 5221.271 6.0 1 1 17 348.91 5373.55715 5373.494 6.0 1 1 5 420.55 5421.34352 5421.352 6.0 1 1 8 532.38 5495.77745 5495.874 6.0 1 1 43 627.24 5558.74422 5558.702 6.0 1 1 55 699.60 5606.66767 5606.733 6.0 1 1 53 825.30 5689.67889 5689.6401 6.0 1 1 8 acs: add; not Ar 900.89 5739.42961 5739.52 6.0 1 1 16 996.71 5802.32693 5802.08 6.0 1 1 8 acs: increase 1164.68 5912.06086 5912.085 6.0 1 1 47 1190.26 5928.71283 5928.8101 6.0 1 1 20 acs: add 1211.33 5942.41227 5942.6665 6.0 1 1 7 acs: add 1298.87 5999.22975 5998.999 6.0 1 1 7 weak 1321.74 6014.04287 6013.678 6.0 1 0 6 1349.65 6032.10216 6032.127 6.0 1 1 170 1366.89 6043.24726 6043.223 6.0 1 1 67 1391.89 6059.3929 6059.373 6.0 1 1 33 1463.57 6105.60092 6105.635 6.0 1 1 19 1525.69 6145.5297 6145.441 6.0 1 1 18 1762.65 6296.88516 6296.872 6.0 1 1 13 1877.33 6369.56814 6369.575 6.0 1 1 9 1901.13 6384.60542 6384.717 6.0 1 1 33 1951.36 6416.2877 6416.307 6.0 1 1 164 2252.93 6604.90448 6604.853 6.0 1 1 24 2369.89 6677.29902 6677.282 6.0 1 1 434 2492.72 6752.85523 6752.834 6.0 1 1 331 2686.88 6871.26705 6871.289 6.0 1 1 316 2842.81 6965.40642 6965.431 6.0 1 1 56184 2951.09 7030.26325 7030.251 6.0 1 1 319 3013.13 7067.22256 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 33.24870300292969 3013.1318359375 6129.238603280275 953.6156581160181 -14.59552189277307 -1.081507638749031 0.09127162409917055 -0.04594540932523777 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1381] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1381] units Angstroms features 32 33.35 5162.24983 5162.285 6.0 1 1 23 71.31 5187.73174 5187.746 6.0 1 1 31 121.48 5221.39013 5221.271 6.0 1 1 17 348.66 5373.37668 5373.494 6.0 1 1 5 420.57 5421.33463 5421.352 6.0 1 1 8 532.54 5495.83667 5495.874 6.0 1 1 43 627.39 5558.78416 5558.702 6.0 1 1 55 699.81 5606.72701 5606.733 6.0 1 1 53 825.51 5689.7087 5689.6401 6.0 1 1 8 acs: add; not Ar 901.04 5739.41665 5739.52 6.0 1 1 16 996.85 5802.28646 5802.08 6.0 1 1 8 acs: increase 1164.89 5912.05789 5912.085 6.0 1 1 47 1190.36 5928.6425 5928.8101 6.0 1 1 20 acs: add 1211.73 5942.54267 5942.6665 6.0 1 1 7 acs: add 1299.01 5999.19522 5998.999 6.0 1 1 7 weak 1321.65 6013.85561 6013.678 6.0 1 1 6 1349.76 6032.04602 6032.127 6.0 1 1 170 1366.99 6043.18521 6043.223 6.0 1 1 67 1392.03 6059.35879 6059.373 6.0 1 1 33 1463.60 6105.49954 6105.635 6.0 1 1 19 1525.87 6145.53068 6145.441 6.0 1 1 18 1762.78 6296.88153 6296.872 6.0 1 1 13 1877.47 6369.57859 6369.575 6.0 1 1 9 1901.19 6384.56605 6384.717 6.0 1 1 33 1951.53 6416.31414 6416.307 6.0 1 1 164 2253.29 6605.03435 6604.853 6.0 1 1 24 2370.00 6677.26378 6677.282 6.0 1 1 434 2492.90 6752.84726 6752.834 6.0 1 1 331 2687.05 6871.22786 6871.289 6.0 1 1 316 2842.98 6965.38507 6965.431 6.0 1 1 56184 2951.22 7030.24487 7030.251 6.0 1 1 319 3013.31 7067.26338 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 33.34552383422852 3013.30712890625 6129.240360426082 953.5994388497035 -14.57193451342567 -1.082990509877516 0.08818002557614211 -0.009677076585058475 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1386] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1386] units Angstroms features 32 33.51 5162.28987 5162.285 6.0 1 1 23 71.40 5187.71518 5187.746 6.0 1 1 31 121.57 5221.35972 5221.271 6.0 1 1 17 348.80 5373.36935 5373.494 6.0 1 1 5 420.68 5421.31183 5421.352 6.0 1 1 8 532.67 5495.83428 5495.874 6.0 1 1 43 627.61 5558.84129 5558.702 6.0 1 1 55 699.96 5606.745 5606.733 6.0 1 1 53 825.59 5689.68411 5689.6401 6.0 1 1 8 acs: add; not Ar 901.25 5739.48157 5739.52 6.0 1 1 16 996.79 5802.18011 5802.08 6.0 1 1 8 acs: increase 1165.03 5912.08839 5912.085 6.0 1 1 47 1190.49 5928.66337 5928.8101 6.0 1 1 20 acs: add 1211.85 5942.553 5942.6665 6.0 1 1 7 acs: add 1299.05 5999.15009 5998.999 6.0 1 1 7 weak 1321.72 6013.83151 6013.678 6.0 1 1 6 1349.91 6032.07197 6032.127 6.0 1 1 170 1367.20 6043.25367 6043.223 6.0 1 1 67 1392.15 6059.36345 6059.373 6.0 1 1 33 1463.71 6105.49755 6105.635 6.0 1 1 19 1525.78 6145.40289 6145.441 6.0 1 1 18 1762.84 6296.8335 6296.872 6.0 1 1 13 1877.88 6369.74483 6369.575 6.0 1 1 9 1901.39 6384.59724 6384.717 6.0 1 1 33 1951.65 6416.29782 6416.307 6.0 1 1 164 2253.30 6604.94608 6604.853 6.0 1 1 24 2370.18 6677.27682 6677.282 6.0 1 1 434 2493.04 6752.83596 6752.834 6.0 1 1 331 2687.24 6871.25366 6871.289 6.0 1 1 316 2843.15 6965.38399 6965.431 6.0 1 1 56184 2951.41 7030.24876 7030.251 6.0 1 1 319 3013.50 7067.25683 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 33.50690078735352 3013.498291015625 6129.262893340184 953.5893260028383 -14.58280545454675 -1.084778128412925 0.09326013225107309 -0.02106784741906303 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1391] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1391] units Angstroms features 32 33.66 5162.28994 5162.285 6.0 1 1 23 71.56 5187.71211 5187.746 6.0 1 1 31 121.71 5221.33306 5221.271 6.0 1 1 17 349.06 5373.41488 5373.494 6.0 1 1 5 420.94 5421.35714 5421.352 6.0 1 1 8 532.87 5495.84711 5495.874 6.0 1 1 43 627.69 5558.79329 5558.702 6.0 1 1 55 700.10 5606.74717 5606.733 6.0 1 1 53 825.59 5689.60635 5689.6401 6.0 1 1 8 acs: add; not Ar 901.33 5739.46171 5739.52 6.0 1 1 16 996.96 5802.22563 5802.08 6.0 1 1 8 acs: increase 1165.10 5912.0751 5912.085 6.0 1 1 47 1190.53 5928.62893 5928.8101 6.0 1 1 20 acs: add 1211.96 5942.56704 5942.6665 6.0 1 1 7 acs: add 1299.19 5999.18223 5998.999 6.0 1 1 7 weak 1321.57 6013.67701 6013.678 6.0 1 1 6 1350.12 6032.14549 6032.127 6.0 1 1 170 1367.37 6043.3008 6043.223 6.0 1 1 67 1392.31 6059.40643 6059.373 6.0 1 1 33 1463.89 6105.5435 6105.635 6.0 1 1 19 1525.99 6145.46741 6145.441 6.0 1 1 18 1762.86 6296.75445 6296.872 6.0 1 1 13 1877.96 6369.69979 6369.575 6.0 1 1 9 1901.63 6384.64918 6384.717 6.0 1 1 33 1951.76 6416.26392 6416.307 6.0 1 1 164 2253.46 6604.93352 6604.853 6.0 1 1 24 2370.37 6677.28944 6677.282 6.0 1 1 434 2493.21 6752.83733 6752.834 6.0 1 1 331 2687.44 6871.2695 6871.289 6.0 1 1 316 2843.31 6965.37851 6965.431 6.0 1 1 56184 2951.65 7030.27167 7030.251 6.0 1 1 319 3013.67 7067.23407 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 33.65705108642578 3013.674560546876 6129.263814738387 953.5911290022462 -14.60518087401217 -1.081029881800131 0.1033697183267168 -0.03803147883909134 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1396] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1396] units Angstroms features 32 33.85 5162.32678 5162.285 6.0 1 1 23 71.66 5187.68276 5187.746 6.0 1 1 31 121.79 5221.27477 5221.271 6.0 1 1 17 349.46 5373.55881 5373.494 6.0 1 1 5 421.06 5421.31627 5421.352 6.0 1 1 8 533.07 5495.87065 5495.874 6.0 1 1 43 627.79 5558.75684 5558.702 6.0 1 1 55 700.15 5606.68558 5606.733 6.0 1 1 53 825.62 5689.54485 5689.6401 6.0 1 1 8 acs: add; not Ar 901.48 5739.48685 5739.52 6.0 1 1 16 997.11 5802.26042 5802.08 6.0 1 1 8 acs: increase 1165.21 5912.08685 5912.085 6.0 1 1 47 1190.63 5928.63286 5928.8101 6.0 1 1 20 acs: add 1212.14 5942.62132 5942.6665 6.0 1 1 7 acs: add 1299.15 5999.09923 5998.999 6.0 1 1 7 weak 1321.39 6013.49876 6013.678 6.0 1 1 6 1350.26 6032.17851 6032.127 6.0 1 1 170 1367.54 6043.34859 6043.223 6.0 1 1 67 1392.61 6059.53761 6059.373 6.0 1 1 33 1464.07 6105.59881 6105.635 6.0 1 1 19 1526.18 6145.51798 6145.441 6.0 1 1 18 1762.86 6296.67189 6296.872 6.0 1 1 13 1877.98 6369.61615 6369.575 6.0 1 1 9 1901.85 6384.69521 6384.717 6.0 1 1 33 1951.85 6416.22085 6416.307 6.0 1 1 164 2253.81 6605.03101 6604.853 6.0 1 1 24 2370.54 6677.26653 6677.282 6.0 1 1 434 2493.41 6752.83143 6752.834 6.0 1 1 331 2687.62 6871.25774 6871.289 6.0 1 1 316 2843.50 6965.37251 6965.431 6.0 1 1 56184 2951.87 7030.29533 7030.251 6.0 1 1 319 3013.84 7067.21995 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 33.84950256347656 3013.836181640625 6129.274386198134 953.5668997241832 -14.62271592175746 -1.071537659012685 0.1216929620987263 -0.04877567974506265 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1401] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1401] units Angstroms features 32 34.02 5162.36209 5162.285 6.0 1 1 23 71.80 5187.67986 5187.746 6.0 1 1 31 121.87 5221.22819 5221.271 6.0 1 1 17 349.64 5373.54029 5373.494 6.0 1 1 5 421.37 5421.38157 5421.352 6.0 1 1 8 533.21 5495.82301 5495.874 6.0 1 1 43 627.98 5558.73725 5558.702 6.0 1 1 55 700.32 5606.65252 5606.733 6.0 1 1 53 826.04 5689.68453 5689.6401 6.0 1 1 8 acs: add; not Ar 901.71 5739.50382 5739.52 6.0 1 1 16 997.18 5802.17484 5802.08 6.0 1 1 8 acs: increase 1165.35 5912.0502 5912.085 6.0 1 1 47 1190.80 5928.6226 5928.8101 6.0 1 1 20 acs: add 1212.42 5942.67973 5942.6665 6.0 1 1 7 acs: add 1299.35 5999.1031 5998.999 6.0 1 1 7 weak 1321.89 6013.7009 6013.678 6.0 1 1 6 1350.36 6032.12185 6032.127 6.0 1 1 170 1367.71 6043.34001 6043.223 6.0 1 1 67 1393.56 6060.03623 6059.373 6.0 1 0 33 1464.12 6105.5099 6105.635 6.0 1 1 19 1526.38 6145.52848 6145.441 6.0 1 1 18 1763.17 6296.75844 6296.872 6.0 1 1 13 1878.22 6369.65615 6369.575 6.0 1 1 9 1902.02 6384.68929 6384.717 6.0 1 1 33 1952.05 6416.23602 6416.307 6.0 1 1 164 2253.84 6604.94939 6604.853 6.0 1 1 24 2370.74 6677.29328 6677.282 6.0 1 1 434 2493.57 6752.8336 6752.834 6.0 1 1 331 2687.77 6871.25285 6871.289 6.0 1 1 316 2843.68 6965.38922 6965.431 6.0 1 1 56184 2952.03 7030.2903 7030.251 6.0 1 1 319 3014.01 7067.21743 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 34.02318954467773 3014.006103515625 6129.272837112159 953.5707585492877 -14.61158249723517 -1.087529970812007 0.1285074774881663 -0.05555568573804042 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1406] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1406] units Angstroms features 32 34.11 5162.30989 5162.285 6.0 1 1 23 72.03 5187.72875 5187.746 6.0 1 1 31 122.08 5221.26576 5221.271 6.0 1 1 17 349.70 5373.48995 5373.494 6.0 1 1 5 421.47 5421.35813 5421.352 6.0 1 1 8 533.37 5495.8312 5495.874 6.0 1 1 43 628.14 5558.73858 5558.702 6.0 1 1 55 700.51 5606.66967 5606.733 6.0 1 1 53 826.28 5689.72939 5689.6401 6.0 1 1 8 acs: add; not Ar 901.94 5739.53031 5739.52 6.0 1 1 16 997.21 5802.06815 5802.08 6.0 1 1 8 acs: increase 1165.54 5912.04479 5912.085 6.0 1 1 47 1191.24 5928.77165 5928.8101 6.0 1 1 20 acs: add 1212.68 5942.71768 5942.6665 6.0 1 1 7 acs: add 1299.99 5999.38833 5998.999 6.0 1 0 7 weak 1322.06 6013.68194 6013.678 6.0 1 1 6 1350.55 6032.11201 6032.127 6.0 1 1 170 1367.96 6043.36949 6043.223 6.0 1 1 67 1393.40 6059.79494 6059.373 6.0 1 0 33 1464.33 6105.51658 6105.635 6.0 1 1 19 1526.45 6145.44928 6145.441 6.0 1 1 18 1763.30 6296.71965 6296.872 6.0 1 1 13 1878.51 6369.72645 6369.575 6.0 1 1 9 1902.21 6384.69693 6384.717 6.0 1 1 33 1952.28 6416.26927 6416.307 6.0 1 1 164 2253.95 6604.91243 6604.853 6.0 1 1 24 2370.93 6677.30532 6677.282 6.0 1 1 434 2493.72 6752.82582 6752.834 6.0 1 1 331 2687.93 6871.25539 6871.289 6.0 1 1 316 2843.87 6965.40568 6965.431 6.0 1 1 56184 2952.11 7030.24587 7030.251 6.0 1 1 319 3014.20 7067.24568 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 34.11412811279297 3014.198974609375 6129.256412016482 953.6019978856831 -14.59856776009206 -1.086962078801285 0.1199422774953552 -0.0471374207176626 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1411] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1411] units Angstroms features 32 34.14 5162.25732 5162.285 6.0 1 1 23 72.13 5187.72517 5187.746 6.0 1 1 31 122.32 5221.35009 5221.271 6.0 1 1 17 349.82 5373.48637 5373.494 6.0 1 1 5 421.55 5421.32164 5421.352 6.0 1 1 8 533.49 5495.82997 5495.874 6.0 1 1 43 628.28 5558.74914 5558.702 6.0 1 1 55 700.66 5606.68808 5606.733 6.0 1 1 53 826.37 5689.70197 5689.6401 6.0 1 1 8 acs: add; not Ar 902.06 5739.53045 5739.52 6.0 1 1 16 997.39 5802.09636 5802.08 6.0 1 1 8 acs: increase 1165.75 5912.08448 5912.085 6.0 1 1 47 1191.34 5928.74533 5928.8101 6.0 1 1 20 acs: add 1212.68 5942.62415 5942.6665 6.0 1 1 7 acs: add 1300.09 5999.35156 5998.999 6.0 1 0 7 weak 1322.29 6013.72406 6013.678 6.0 1 1 6 1350.74 6032.13217 6032.127 6.0 1 1 170 1368.07 6043.33605 6043.223 6.0 1 1 67 1392.94 6059.39664 6059.373 6.0 1 1 33 1464.53 6105.53536 6105.635 6.0 1 1 19 1526.55 6145.40044 6145.441 6.0 1 1 18 1763.72 6296.85949 6296.872 6.0 1 1 13 1878.67 6369.70111 6369.575 6.0 1 1 9 1902.31 6384.63416 6384.717 6.0 1 1 33 1952.50 6416.28171 6416.307 6.0 1 1 164 2254.08 6604.88021 6604.853 6.0 1 1 24 2371.05 6677.27495 6677.282 6.0 1 1 434 2493.91 6752.84113 6752.834 6.0 1 1 331 2688.13 6871.27822 6871.289 6.0 1 1 316 2844.07 6965.42274 6965.431 6.0 1 1 56184 2952.32 7030.2497 7030.251 6.0 1 1 319 3014.40 7067.22604 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 34.13693237304687 3014.402099609375 6129.227521073246 953.6326653233755 -14.59592315773866 -1.088551596318188 0.1100848060085593 -0.05975535268937548 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1416] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1416] units Angstroms features 32 34.34 5162.29386 5162.285 6.0 1 1 23 72.26 5187.71025 5187.746 6.0 1 1 31 122.41 5221.30793 5221.271 6.0 1 1 17 350.00 5373.49642 5373.494 6.0 1 1 5 421.73 5421.33978 5421.352 6.0 1 1 8 533.66 5495.83484 5495.874 6.0 1 1 43 628.42 5558.74253 5558.702 6.0 1 1 55 700.83 5606.70334 5606.733 6.0 1 1 53 826.51 5689.70239 5689.6401 6.0 1 1 8 acs: add; not Ar 902.11 5739.4634 5739.52 6.0 1 1 16 997.63 5802.16724 5802.08 6.0 1 1 8 acs: increase 1165.91 5912.10369 5912.085 6.0 1 1 47 1191.44 5928.72823 5928.8101 6.0 1 1 20 acs: add 1212.74 5942.58098 5942.6665 6.0 1 1 7 acs: add 1300.24 5999.36579 5998.999 6.0 1 0 7 weak 1322.35 6013.68505 6013.678 6.0 1 1 6 1350.86 6032.13252 6032.127 6.0 1 1 170 1368.14 6043.30211 6043.223 6.0 1 1 67 1393.12 6059.42933 6059.373 6.0 1 1 33 1464.61 6105.5102 6105.635 6.0 1 1 19 1526.86 6145.51851 6145.441 6.0 1 1 18 1763.87 6296.88486 6296.872 6.0 1 1 13 1878.56 6369.56039 6369.575 6.0 1 1 9 1902.50 6384.68019 6384.717 6.0 1 1 33 1952.66 6416.306 6416.307 6.0 1 1 164 2254.23 6604.88534 6604.853 6.0 1 1 24 2371.18 6677.25972 6677.282 6.0 1 1 434 2494.12 6752.87383 6752.834 6.0 1 1 331 2688.28 6871.26077 6871.289 6.0 1 1 316 2844.26 6965.41533 6965.431 6.0 1 1 56184 2952.57 7030.27055 7030.251 6.0 1 1 319 3014.61 7067.21512 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 34.33539581298828 3014.6103515625 6129.256392819375 953.6186121617473 -14.61711802484209 -1.098767762636452 0.1152137141806901 -0.05921588726142692 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1421] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1421] units Angstroms features 32 34.63 5162.35087 5162.285 6.0 1 1 23 72.42 5187.69254 5187.746 6.0 1 1 31 122.46 5221.23443 5221.271 6.0 1 1 17 350.22 5373.56362 5373.494 6.0 1 1 5 421.82 5421.30895 5421.352 6.0 1 1 8 533.82 5495.84369 5495.874 6.0 1 1 43 628.62 5558.76934 5558.702 6.0 1 1 55 700.96 5606.67404 5606.733 6.0 1 1 53 826.57 5689.61593 5689.6401 6.0 1 1 8 acs: add; not Ar 902.34 5739.49145 5739.52 6.0 1 1 16 997.93 5802.2331 5802.08 6.0 1 1 8 acs: increase 1166.09 5912.0931 5912.085 6.0 1 1 47 1191.61 5928.71093 5928.8101 6.0 1 1 20 acs: add 1213.02 5942.63282 5942.6665 6.0 1 1 7 acs: add 1300.38 5999.33646 5998.999 6.0 1 0 7 weak 1322.09 6013.39727 6013.678 6.0 1 0 6 1350.99 6032.09883 6032.127 6.0 1 1 170 1368.33 6043.30954 6043.223 6.0 1 1 67 1393.20 6059.36925 6059.373 6.0 1 1 33 1464.97 6105.63554 6105.635 6.0 1 1 19 1526.99 6145.50256 6145.441 6.0 1 1 18 1763.78 6296.74538 6296.872 6.0 1 1 13 1878.66 6369.54759 6369.575 6.0 1 1 9 1902.66 6384.70584 6384.717 6.0 1 1 33 1952.85 6416.35306 6416.307 6.0 1 1 164 2254.43 6604.92032 6604.853 6.0 1 1 24 2371.36 6677.27096 6677.282 6.0 1 1 434 2494.32 6752.88078 6752.834 6.0 1 1 331 2688.47 6871.23664 6871.289 6.0 1 1 316 2844.45 6965.3966 6965.431 6.0 1 1 56184 2952.74 7030.25685 7030.251 6.0 1 1 319 3014.81 7067.24215 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 34.63192749023437 3014.810791015625 6129.307454842648 953.5786457219815 -14.62567095244493 -1.100414814840176 0.1147294009154399 -0.03259243832699458 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1426] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1426] units Angstroms features 32 34.70 5162.29581 5162.285 6.0 1 1 23 72.62 5187.73424 5187.746 6.0 1 1 31 122.62 5221.25156 5221.271 6.0 1 1 17 350.42 5373.59993 5373.494 6.0 1 1 5 421.95 5421.30062 5421.352 6.0 1 1 8 533.95 5495.82862 5495.874 6.0 1 1 43 628.76 5558.74773 5558.702 6.0 1 1 55 701.12 5606.66362 5606.733 6.0 1 1 53 826.76 5689.61858 5689.6401 6.0 1 1 8 acs: add; not Ar 902.53 5739.49229 5739.52 6.0 1 1 16 998.08 5802.20506 5802.08 6.0 1 1 8 acs: increase 1166.23 5912.05998 5912.085 6.0 1 1 47 1191.64 5928.60206 5928.8101 6.0 1 1 20 acs: add 1213.42 5942.77286 5942.6665 6.0 1 1 7 acs: add 1300.29 5999.15836 5998.999 6.0 1 1 7 weak 1321.94 6013.18286 6013.678 6.0 1 0 6 1351.13 6032.07134 6032.127 6.0 1 1 170 1368.46 6043.27479 6043.223 6.0 1 1 67 1393.35 6059.34768 6059.373 6.0 1 1 33 1465.11 6105.61091 6105.635 6.0 1 1 19 1527.19 6145.52309 6145.441 6.0 1 1 18 1763.93 6296.73574 6296.872 6.0 1 1 13 1878.67 6369.45138 6369.575 6.0 1 1 9 1902.90 6384.75697 6384.717 6.0 1 1 33 1953.04 6416.37495 6416.307 6.0 1 1 164 2254.53 6604.881 6604.853 6.0 1 1 24 2371.59 6677.30403 6677.282 6.0 1 1 434 2494.55 6752.90209 6752.834 6.0 1 1 331 2688.67 6871.23548 6871.289 6.0 1 1 316 2844.64 6965.39187 6965.431 6.0 1 1 56184 2952.87 7030.23263 7030.251 6.0 1 1 319 3014.99 7067.26044 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 34.69676589965821 3014.991455078125 6129.278025680398 953.6062454553657 -14.61825376364137 -1.104516205949429 0.1183513869367219 -0.01941720711898584 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1431] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1431] units Angstroms features 32 34.69 5162.20952 5162.285 6.0 1 1 23 72.85 5187.79413 5187.746 6.0 1 1 31 122.85 5221.29786 5221.271 6.0 1 1 17 350.55 5373.57367 5373.494 6.0 1 1 5 422.14 5421.32029 5421.352 6.0 1 1 8 534.09 5495.82488 5495.874 6.0 1 1 43 628.88 5558.74684 5558.702 6.0 1 1 55 701.31 5606.71123 5606.733 6.0 1 1 53 826.76 5689.55098 5689.6401 6.0 1 1 8 acs: add; not Ar 902.63 5739.49283 5739.52 6.0 1 1 16 998.15 5802.18843 5802.08 6.0 1 1 8 acs: increase 1166.38 5912.09555 5912.085 6.0 1 1 47 1191.85 5928.67936 5928.8101 6.0 1 1 20 acs: add 1213.37 5942.67451 5942.6665 6.0 1 1 7 acs: add 1300.34 5999.11827 5998.999 6.0 1 1 7 weak 1322.43 6013.42383 6013.678 6.0 1 1 6 1351.32 6032.11383 6032.127 6.0 1 1 170 1368.68 6043.34069 6043.223 6.0 1 1 67 1393.72 6059.51083 6059.373 6.0 1 1 33 1465.26 6105.61838 6105.635 6.0 1 1 19 1527.46 6145.6008 6145.441 6.0 1 1 18 1764.16 6296.76879 6296.872 6.0 1 1 13 1878.75 6369.38255 6369.575 6.0 1 1 9 1903.18 6384.81508 6384.717 6.0 1 1 33 1953.16 6416.32854 6416.307 6.0 1 1 164 2254.58 6604.79736 6604.853 6.0 1 1 24 2371.78 6677.32103 6677.282 6.0 1 1 434 2494.73 6752.92073 6752.834 6.0 1 1 331 2688.82 6871.25223 6871.289 6.0 1 1 316 2844.83 6965.41575 6965.431 6.0 1 1 56184 2953.10 7030.2501 7030.251 6.0 1 1 319 3015.18 7067.22484 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 34.69057846069336 3015.179443359375 6129.235385457084 953.6549712409847 -14.6312805149578 -1.100528760749409 0.1130724254306691 -0.0467817099009411 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1436] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1436] units Angstroms features 32 34.93 5162.27503 5162.285 6.0 1 1 23 72.88 5187.71814 5187.746 6.0 1 1 31 122.99 5221.30343 5221.271 6.0 1 1 17 350.58 5373.51907 5373.494 6.0 1 1 5 422.34 5421.37466 5421.352 6.0 1 1 8 534.20 5495.82279 5495.874 6.0 1 1 43 629.02 5558.76248 5558.702 6.0 1 1 55 701.47 5606.74421 5606.733 6.0 1 1 53 826.81 5689.50557 5689.6401 6.0 1 1 8 acs: add; not Ar 902.81 5739.52321 5739.52 6.0 1 1 16 998.26 5802.16558 5802.08 6.0 1 1 8 acs: increase 1166.50 5912.05854 5912.085 6.0 1 1 47 1192.20 5928.78921 5928.8101 6.0 1 1 20 acs: add 1213.35 5942.54388 5942.6665 6.0 1 1 7 acs: add 1300.39 5999.02066 5998.999 6.0 1 1 7 weak 1322.25 6013.17581 6013.678 6.0 1 0 6 1351.54 6032.12632 6032.127 6.0 1 1 170 1368.89 6043.34116 6043.223 6.0 1 1 67 1393.77 6059.40058 6059.373 6.0 1 1 33 1465.48 6105.61631 6105.635 6.0 1 1 19 1527.63 6145.56146 6145.441 6.0 1 1 18 1764.35 6296.72884 6296.872 6.0 1 1 13 1879.40 6369.63054 6369.575 6.0 1 1 9 1903.32 6384.73898 6384.717 6.0 1 1 33 1953.29 6416.24517 6416.307 6.0 1 1 164 2254.83 6604.80829 6604.853 6.0 1 1 24 2371.98 6677.31083 6677.282 6.0 1 1 434 2494.86 6752.88629 6752.834 6.0 1 1 331 2689.02 6871.26452 6871.289 6.0 1 1 316 2845.02 6965.41617 6965.431 6.0 1 1 56184 2953.40 7030.29212 7030.251 6.0 1 1 319 3015.38 7067.19165 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 34.93024444580078 3015.380859375 6129.261440317351 953.6057917471953 -14.6190972159273 -1.089568335693744 0.09099606813944155 -0.05791715654332476 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1441] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1441] units Angstroms features 32 35.17 5162.33322 5162.285 6.0 1 1 23 72.98 5187.66774 5187.746 6.0 1 1 31 123.14 5221.27044 5221.271 6.0 1 1 17 351.01 5373.63842 5373.494 6.0 1 1 5 422.45 5421.28728 5421.352 6.0 1 1 8 534.38 5495.78548 5495.874 6.0 1 1 43 629.24 5558.76474 5558.702 6.0 1 1 55 701.63 5606.71161 5606.733 6.0 1 1 53 827.06 5689.5476 5689.6401 6.0 1 1 8 acs: add; not Ar 903.02 5739.54565 5739.52 6.0 1 1 16 998.48 5802.20531 5802.08 6.0 1 1 8 acs: increase 1166.69 5912.0894 5912.085 6.0 1 1 47 1192.33 5928.77779 5928.8101 6.0 1 1 20 acs: add 1213.53 5942.56584 5942.6665 6.0 1 1 7 acs: add 1300.45 5998.97723 5998.999 6.0 1 1 7 weak 1322.17 6013.0394 6013.678 6.0 1 0 6 1351.69 6032.13725 6032.127 6.0 1 1 170 1369.00 6043.32211 6043.223 6.0 1 1 67 1393.78 6059.32681 6059.373 6.0 1 1 33 1465.59 6105.59848 6105.635 6.0 1 1 19 1527.82 6145.59254 6145.441 6.0 1 1 18 1764.63 6296.80696 6296.872 6.0 1 1 13 1879.38 6369.51093 6369.575 6.0 1 1 9 1903.54 6384.77093 6384.717 6.0 1 1 33 1953.47 6416.24763 6416.307 6.0 1 1 164 2255.13 6604.86996 6604.853 6.0 1 1 24 2372.20 6677.31994 6677.282 6.0 1 1 434 2495.05 6752.87011 6752.834 6.0 1 1 331 2689.19 6871.23961 6871.289 6.0 1 1 316 2845.21 6965.41035 6965.431 6.0 1 1 56184 2953.57 7030.28692 7030.251 6.0 1 1 319 3015.59 7067.20743 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 35.17075729370117 3015.587158203125 6129.2841350462 953.597219410415 -14.6282123813422 -1.091134513547874 0.1144029131482667 -0.06898177005098783 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1446] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1446] units Angstroms features 32 35.33 5162.32596 5162.285 6.0 1 1 23 73.18 5187.69762 5187.746 6.0 1 1 31 123.32 5221.29043 5221.271 6.0 1 1 17 350.94 5373.51577 5373.494 6.0 1 1 5 422.50 5421.23971 5421.352 6.0 1 1 8 534.59 5495.84701 5495.874 6.0 1 1 43 629.47 5558.83129 5558.702 6.0 1 1 55 701.80 5606.73342 5606.733 6.0 1 1 53 827.36 5689.64634 5689.6401 6.0 1 1 8 acs: add; not Ar 903.13 5739.51865 5739.52 6.0 1 1 16 998.54 5802.13784 5802.08 6.0 1 1 8 acs: increase 1166.97 5912.16303 5912.085 6.0 1 1 47 1192.37 5928.69428 5928.8101 6.0 1 1 20 acs: add 1213.69 5942.56271 5942.6665 6.0 1 1 7 acs: add 1300.72 5999.03591 5998.999 6.0 1 1 7 weak 1323.12 6013.54168 6013.678 6.0 1 1 6 1351.83 6032.11691 6032.127 6.0 1 1 170 1369.13 6043.29697 6043.223 6.0 1 1 67 1394.08 6059.40693 6059.373 6.0 1 1 33 1465.70 6105.55928 6105.635 6.0 1 1 19 1528.04 6145.62101 6145.441 6.0 1 1 18 1764.92 6296.87481 6296.872 6.0 1 1 13 1879.52 6369.48181 6369.575 6.0 1 1 9 1903.70 6384.75506 6384.717 6.0 1 1 33 1953.67 6416.26492 6416.307 6.0 1 1 164 2255.37 6604.90298 6604.853 6.0 1 1 24 2372.39 6677.31251 6677.282 6.0 1 1 434 2495.19 6752.83395 6752.834 6.0 1 1 331 2689.41 6871.25018 6871.289 6.0 1 1 316 2845.41 6965.41324 6965.431 6.0 1 1 56184 2953.72 7030.26735 7030.251 6.0 1 1 319 3015.78 7067.22414 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 35.32773590087891 3015.77783203125 6129.288614254564 953.5900475630963 -14.62501422619863 -1.08005958792203 0.1114498100140063 -0.0608955402905259 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1451] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1451] units Angstroms features 32 35.50 5162.29785 5162.285 6.0 1 1 23 73.39 5187.7214 5187.746 6.0 1 1 31 123.55 5221.35939 5221.271 6.0 1 1 17 350.68 5373.29338 5373.494 6.0 1 1 5 422.69 5421.32111 5421.352 6.0 1 1 8 534.76 5495.90175 5495.874 6.0 1 1 43 629.60 5558.84055 5558.702 6.0 1 1 55 701.91 5606.72041 5606.733 6.0 1 1 53 827.63 5689.72137 5689.6401 6.0 1 1 8 acs: add; not Ar 903.32 5739.53077 5739.52 6.0 1 1 16 998.66 5802.09226 5802.08 6.0 1 1 8 acs: increase 1167.12 5912.13136 5912.085 6.0 1 1 47 1192.63 5928.73203 5928.8101 6.0 1 1 20 acs: add 1213.92 5942.57459 5942.6665 6.0 1 1 7 acs: add 1300.97 5999.06901 5998.999 6.0 1 1 7 weak 1323.39 6013.5825 6013.678 6.0 1 1 6 1351.98 6032.08069 6032.127 6.0 1 1 170 1369.36 6043.31019 6043.223 6.0 1 1 67 1394.32 6059.43199 6059.373 6.0 1 1 33 1465.80 6105.49988 6105.635 6.0 1 1 19 1528.06 6145.51099 6145.441 6.0 1 1 18 1764.90 6296.75622 6296.872 6.0 1 1 13 1880.01 6369.69375 6369.575 6.0 1 1 9 1903.80 6384.72037 6384.717 6.0 1 1 33 1953.86 6416.28359 6416.307 6.0 1 1 164 2255.56 6604.90712 6604.853 6.0 1 1 24 2372.60 6677.31683 6677.282 6.0 1 1 434 2495.41 6752.82936 6752.834 6.0 1 1 331 2689.63 6871.22399 6871.289 6.0 1 1 316 2845.64 6965.40102 6965.431 6.0 1 1 56184 2953.93 7030.2647 7030.251 6.0 1 1 319 3015.98 7067.24331 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 35.4970703125 3015.9814453125 6129.296271103472 953.5679695023357 -14.6262853297307 -1.067163118634042 0.100595023176661 -0.02807723008154809 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1456] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1456] units Angstroms features 32 35.68 5162.29814 5162.285 6.0 1 1 23 73.52 5187.70952 5187.746 6.0 1 1 31 123.69 5221.36728 5221.271 6.0 1 1 17 350.77 5373.29897 5373.494 6.0 1 1 5 422.81 5421.33796 5421.352 6.0 1 1 8 534.87 5495.89329 5495.874 6.0 1 1 43 629.73 5558.83651 5558.702 6.0 1 1 55 702.09 5606.73418 5606.733 6.0 1 1 53 827.76 5689.67984 5689.6401 6.0 1 1 8 acs: add; not Ar 903.50 5739.51848 5739.52 6.0 1 1 16 998.96 5802.14994 5802.08 6.0 1 1 8 acs: increase 1167.24 5912.06708 5912.085 6.0 1 1 47 1192.73 5928.65718 5928.8101 6.0 1 1 20 acs: add 1214.16 5942.59033 5942.6665 6.0 1 1 7 acs: add 1301.21 5999.08181 5998.999 6.0 1 1 7 weak 1322.99 6013.18741 6013.678 6.0 1 0 6 1352.19 6032.08284 6032.127 6.0 1 1 170 1369.57 6043.31385 6043.223 6.0 1 1 67 1394.45 6059.38708 6059.373 6.0 1 1 33 1466.17 6105.61259 6105.635 6.0 1 1 19 1528.20 6145.4861 6145.441 6.0 1 1 18 1764.97 6296.71019 6296.872 6.0 1 1 13 1879.98 6369.59413 6369.575 6.0 1 1 9 1903.97 6384.74619 6384.717 6.0 1 1 33 1954.07 6416.33481 6416.307 6.0 1 1 164 2255.68 6604.89868 6604.853 6.0 1 1 24 2372.77 6677.3268 6677.282 6.0 1 1 434 2495.65 6752.8605 6752.834 6.0 1 1 331 2689.82 6871.20206 6871.289 6.0 1 1 316 2845.88 6965.39751 6965.431 6.0 1 1 56184 2954.16 7030.26505 7030.251 6.0 1 1 319 3016.20 7067.24683 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 35.67615127563477 3016.200439453125 6129.314534366281 953.5509554462795 -14.63096520666851 -1.079179505928801 0.08891471849229471 0.002565462473812027 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1461] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1461] units Angstroms features 32 35.75 5162.2675 5162.285 6.0 1 1 23 73.72 5187.75437 5187.746 6.0 1 1 31 123.81 5221.35388 5221.271 6.0 1 1 17 350.90 5373.26776 5373.494 6.0 1 1 5 423.04 5421.37154 5421.352 6.0 1 1 8 535.04 5495.88923 5495.874 6.0 1 1 43 629.90 5558.83713 5558.702 6.0 1 1 55 702.32 5606.77834 5606.733 6.0 1 1 53 827.91 5689.67309 5689.6401 6.0 1 1 8 acs: add; not Ar 903.66 5739.5192 5739.52 6.0 1 1 16 999.06 5802.11683 5802.08 6.0 1 1 8 acs: increase 1167.40 5912.07175 5912.085 6.0 1 1 47 1192.81 5928.60786 5928.8101 6.0 1 1 20 acs: add 1214.23 5942.53987 5942.6665 6.0 1 1 7 acs: add 1301.25 5999.01224 5998.999 6.0 1 1 7 weak 1323.35 6013.32828 6013.678 6.0 1 0 6 1352.41 6032.12332 6032.127 6.0 1 1 170 1369.74 6043.32662 6043.223 6.0 1 1 67 1394.74 6059.47102 6059.373 6.0 1 1 33 1466.33 6105.61881 6105.635 6.0 1 1 19 1528.40 6145.51865 6145.441 6.0 1 1 18 1765.23 6296.77296 6296.872 6.0 1 1 13 1880.03 6369.52045 6369.575 6.0 1 1 9 1904.19 6384.7823 6384.717 6.0 1 1 33 1954.22 6416.32307 6416.307 6.0 1 1 164 2255.77 6604.84089 6604.853 6.0 1 1 24 2372.92 6677.31202 6677.282 6.0 1 1 434 2495.85 6752.87276 6752.834 6.0 1 1 331 2690.07 6871.2394 6871.289 6.0 1 1 316 2846.11 6965.41495 6965.431 6.0 1 1 56184 2954.35 7030.24933 7030.251 6.0 1 1 319 3016.42 7067.23856 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 35.75440979003907 3016.415771484374 6129.297342577022 953.577963434712 -14.63824413782725 -1.087496401792048 0.09393430706605427 -0.004936494529838006 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1466] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1466] units Angstroms features 32 35.91 5162.25622 5162.285 6.0 1 1 23 73.94 5187.76156 5187.746 6.0 1 1 31 123.95 5221.28507 5221.271 6.0 1 1 17 351.56 5373.49487 5373.494 6.0 1 1 5 423.40 5421.39547 5421.352 6.0 1 1 8 535.24 5495.81196 5495.874 6.0 1 1 43 630.10 5558.76758 5558.702 6.0 1 1 55 702.47 5606.68513 5606.733 6.0 1 1 53 828.11 5689.62519 5689.6401 6.0 1 1 8 acs: add; not Ar 903.88 5739.49549 5739.52 6.0 1 1 16 999.28 5802.09837 5802.08 6.0 1 1 8 acs: increase 1167.72 5912.12785 5912.085 6.0 1 1 47 1193.01 5928.58752 5928.8101 6.0 1 0 20 acs: add 1214.46 5942.53859 5942.6665 6.0 1 1 7 acs: add 1301.48 5999.01719 5998.999 6.0 1 1 7 weak 1324.31 6013.79858 6013.678 6.0 1 1 6 1352.55 6032.07417 6032.127 6.0 1 1 170 1369.81 6043.23008 6043.223 6.0 1 1 67 1394.92 6059.44597 6059.373 6.0 1 1 33 1466.49 6105.57551 6105.635 6.0 1 1 19 1528.63 6145.51437 6145.441 6.0 1 1 18 1765.47 6296.77561 6296.872 6.0 1 1 13 1880.32 6369.55072 6369.575 6.0 1 1 9 1904.37 6384.74022 6384.717 6.0 1 1 33 1954.45 6416.31364 6416.307 6.0 1 1 164 2255.98 6604.83075 6604.853 6.0 1 1 24 2373.15 6677.32225 6677.282 6.0 1 1 434 2496.03 6752.86468 6752.834 6.0 1 1 331 2690.25 6871.24354 6871.289 6.0 1 1 316 2846.34 6965.43719 6965.431 6.0 1 1 56184 2954.62 7030.26701 7030.251 6.0 1 1 319 3016.64 7067.20879 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 35.90529632568359 3016.638916015625 6129.262315632478 953.6178902683742 -14.63456825286097 -1.111327282034519 0.1047591363033571 -0.03028079345448903 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1471] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1471] units Angstroms features 32 36.11 5162.28109 5162.285 6.0 1 1 23 74.09 5187.75133 5187.746 6.0 1 1 31 124.10 5221.27451 5221.271 6.0 1 1 17 352.17 5373.80643 5373.494 6.0 1 0 5 423.48 5421.35567 5421.352 6.0 1 1 8 535.37 5495.80898 5495.874 6.0 1 1 43 630.25 5558.77218 5558.702 6.0 1 1 55 702.67 5606.72933 5606.733 6.0 1 1 53 828.25 5689.63602 5689.6401 6.0 1 1 8 acs: add; not Ar 904.05 5739.52081 5739.52 6.0 1 1 16 999.37 5802.07299 5802.08 6.0 1 1 8 acs: increase 1167.89 5912.15535 5912.085 6.0 1 1 47 1193.23 5928.64994 5928.8101 6.0 1 1 20 acs: add 1214.78 5942.66391 5942.6665 6.0 1 1 7 acs: add 1301.73 5999.09175 5998.999 6.0 1 1 7 weak 1324.75 6013.99376 6013.678 6.0 1 0 6 1352.74 6032.10296 6032.127 6.0 1 1 170 1370.00 6043.25984 6043.223 6.0 1 1 67 1394.98 6059.39003 6059.373 6.0 1 1 33 1466.63 6105.5707 6105.635 6.0 1 1 19 1528.89 6145.58315 6145.441 6.0 1 1 18 1765.59 6296.74189 6296.872 6.0 1 1 13 1880.48 6369.53206 6369.575 6.0 1 1 9 1904.47 6384.68647 6384.717 6.0 1 1 33 1954.67 6416.33326 6416.307 6.0 1 1 164 2256.37 6604.93424 6604.853 6.0 1 1 24 2373.39 6677.31808 6677.282 6.0 1 1 434 2496.24 6752.84296 6752.834 6.0 1 1 331 2690.45 6871.20963 6871.289 6.0 1 1 316 2846.58 6965.43624 6965.431 6.0 1 1 56184 2954.82 7030.2599 7030.251 6.0 1 1 319 3016.86 7067.22646 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 36.11294174194336 3016.864990234375 6129.285383932573 953.5928743628389 -14.64515710570747 -1.092545758850727 0.1135504509152979 -0.02764208630489317 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1476] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1476] units Angstroms features 32 36.25 5162.28292 5162.285 6.0 1 1 23 74.18 5187.70639 5187.746 6.0 1 1 31 124.32 5221.3049 5221.271 6.0 1 1 17 352.08 5373.59843 5373.494 6.0 1 1 5 423.58 5421.28309 5421.352 6.0 1 1 8 535.54 5495.78913 5495.874 6.0 1 1 43 630.44 5558.78485 5558.702 6.0 1 1 55 702.86 5606.7417 5606.733 6.0 1 1 53 828.35 5689.60138 5689.6401 6.0 1 1 8 acs: add; not Ar 904.17 5739.509 5739.52 6.0 1 1 16 999.49 5802.0682 5802.08 6.0 1 1 8 acs: increase 1167.98 5912.12558 5912.085 6.0 1 1 47 1193.49 5928.72428 5928.8101 6.0 1 1 20 acs: add 1214.72 5942.5344 5942.6665 6.0 1 1 7 acs: add 1301.69 5998.96439 5998.999 6.0 1 1 7 weak 1324.69 6013.85995 6013.678 6.0 1 1 6 1352.91 6032.11506 6032.127 6.0 1 1 170 1370.25 6043.31833 6043.223 6.0 1 1 67 1395.24 6059.45203 6059.373 6.0 1 1 33 1466.84 6105.5907 6105.635 6.0 1 1 19 1529.00 6145.5385 6145.441 6.0 1 1 18 1765.73 6296.67882 6296.872 6.0 1 1 13 1880.87 6369.61937 6369.575 6.0 1 1 9 1904.70 6384.66681 6384.717 6.0 1 1 33 1954.79 6416.24423 6416.307 6.0 1 1 164 2256.76 6605.00786 6604.853 6.0 1 1 24 2373.55 6677.26325 6677.282 6.0 1 1 434 2496.49 6752.84965 6752.834 6.0 1 1 331 2690.65 6871.2066 6871.289 6.0 1 1 316 2846.82 6965.46593 6965.431 6.0 1 1 56184 2955.00 7030.24922 7030.251 6.0 1 1 319 3017.07 7067.21875 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 36.24687957763672 3017.065673828125 6129.266798538753 953.5977259078501 -14.64088999838227 -1.077524377750999 0.12492639441917 -0.05228899433117976 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1481] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1481] units Angstroms features 32 36.39 5162.28354 5162.285 6.0 1 1 23 74.33 5187.71313 5187.746 6.0 1 1 31 124.49 5221.32452 5221.271 6.0 1 1 17 352.04 5373.48323 5373.494 6.0 1 1 5 423.75 5421.30157 5421.352 6.0 1 1 8 535.78 5495.84816 5495.874 6.0 1 1 43 630.65 5558.81835 5558.702 6.0 1 1 55 702.99 5606.72146 5606.733 6.0 1 1 53 828.62 5689.66539 5689.6401 6.0 1 1 8 acs: add; not Ar 904.31 5739.4792 5739.52 6.0 1 1 16 999.67 5802.0621 5802.08 6.0 1 1 8 acs: increase 1168.18 5912.13106 5912.085 6.0 1 1 47 1193.75 5928.77457 5928.8101 6.0 1 1 20 acs: add 1214.89 5942.52197 5942.6665 6.0 1 1 7 acs: add 1302.00 5999.04879 5998.999 6.0 1 1 7 weak 1324.45 6013.58496 6013.678 6.0 1 1 6 1353.11 6032.12346 6032.127 6.0 1 1 170 1370.45 6043.32862 6043.223 6.0 1 1 67 1395.40 6059.43629 6059.373 6.0 1 1 33 1467.05 6105.60816 6105.635 6.0 1 1 19 1529.27 6145.59369 6145.441 6.0 1 1 18 1765.98 6296.73327 6296.872 6.0 1 1 13 1881.03 6369.61463 6369.575 6.0 1 1 9 1904.85 6384.65587 6384.717 6.0 1 1 33 1955.07 6416.31265 6416.307 6.0 1 1 164 2256.74 6604.89125 6604.853 6.0 1 1 24 2373.78 6677.2928 6677.282 6.0 1 1 434 2496.68 6752.85174 6752.834 6.0 1 1 331 2690.90 6871.23463 6871.289 6.0 1 1 316 2847.03 6965.45882 6965.431 6.0 1 1 56184 2955.23 7030.25195 7030.251 6.0 1 1 319 3017.28 7067.21386 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 36.3945083618164 3017.283203125 6129.270071205406 953.5966207315216 -14.64279912012996 -1.085438001961726 0.1214281861470247 -0.04602686310855991 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1486] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1486] units Angstroms features 32 36.61 5162.2877 5162.285 6.0 1 1 23 74.56 5187.7233 5187.746 6.0 1 1 31 124.65 5221.28804 5221.271 6.0 1 1 17 352.40 5373.57406 5373.494 6.0 1 1 5 423.90 5421.25192 5421.352 6.0 1 1 8 535.96 5495.82557 5495.874 6.0 1 1 43 630.88 5558.83197 5558.702 6.0 1 1 55 703.19 5606.72305 5606.733 6.0 1 1 53 828.72 5689.61096 5689.6401 6.0 1 1 8 acs: add; not Ar 904.46 5739.46508 5739.52 6.0 1 1 16 999.92 5802.11267 5802.08 6.0 1 1 8 acs: increase 1168.31 5912.11171 5912.085 6.0 1 1 47 1193.91 5928.77725 5928.8101 6.0 1 1 20 acs: add 1215.12 5942.56789 5942.6665 6.0 1 1 7 acs: add 1302.11 5999.01675 5998.999 6.0 1 1 7 weak 1324.55 6013.54864 6013.678 6.0 1 1 6 1353.34 6032.17331 6032.127 6.0 1 1 170 1370.73 6043.41143 6043.223 6.0 1 1 67 1395.58 6059.45829 6059.373 6.0 1 1 33 1467.18 6105.59596 6105.635 6.0 1 1 19 1529.67 6145.75559 6145.441 6.0 1 0 18 1766.26 6296.81293 6296.872 6.0 1 1 13 1881.02 6369.51089 6369.575 6.0 1 1 9 1905.11 6384.72018 6384.717 6.0 1 1 33 1955.28 6416.34838 6416.307 6.0 1 1 164 2256.82 6604.83053 6604.853 6.0 1 1 24 2374.04 6677.34133 6677.282 6.0 1 1 434 2496.85 6752.83804 6752.834 6.0 1 1 331 2691.14 6871.25545 6871.289 6.0 1 1 316 2847.20 6965.43671 6965.431 6.0 1 1 56184 2955.47 7030.25534 7030.251 6.0 1 1 319 3017.53 7067.21736 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 36.60678100585938 3017.528076171875 6129.290874166688 953.60641035425 -14.66513595973901 -1.091729537815972 0.1267908720560984 -0.04985397365211922 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1491] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1491] units Angstroms features 32 36.82 5162.31254 5162.285 6.0 1 1 23 74.65 5187.65804 5187.746 6.0 1 1 31 124.84 5221.28048 5221.271 6.0 1 1 17 352.83 5373.71541 5373.494 6.0 1 1 5 424.11 5421.24713 5421.352 6.0 1 1 8 536.15 5495.81169 5495.874 6.0 1 1 43 631.03 5558.79034 5558.702 6.0 1 1 55 703.38 5606.70071 5606.733 6.0 1 1 53 828.89 5689.57847 5689.6401 6.0 1 1 8 acs: add; not Ar 904.75 5739.50765 5739.52 6.0 1 1 16 999.93 5801.97434 5802.08 6.0 1 1 8 acs: increase 1168.57 5912.12479 5912.085 6.0 1 1 47 1194.12 5928.75269 5928.8101 6.0 1 1 20 acs: add 1215.44 5942.612 5942.6665 6.0 1 1 7 acs: add 1302.30 5998.97171 5998.999 6.0 1 1 7 weak 1325.04 6013.69492 6013.678 6.0 1 1 6 1353.61 6032.1763 6032.127 6.0 1 1 170 1370.90 6043.35007 6043.223 6.0 1 1 67 1395.74 6059.3871 6059.373 6.0 1 1 33 1467.52 6105.63991 6105.635 6.0 1 1 19 1529.85 6145.68539 6145.441 6.0 1 1 18 1766.32 6296.66053 6296.872 6.0 1 1 13 1881.36 6369.53482 6369.575 6.0 1 1 9 1905.48 6384.76977 6384.717 6.0 1 1 33 1955.35 6416.20828 6416.307 6.0 1 1 164 2257.13 6604.86847 6604.853 6.0 1 1 24 2374.20 6677.30052 6677.282 6.0 1 1 434 2497.12 6752.88166 6752.834 6.0 1 1 331 2691.31 6871.25555 6871.289 6.0 1 1 316 2847.43 6965.4613 6965.431 6.0 1 1 56184 2955.68 7030.2492 7030.251 6.0 1 1 319 3017.76 7067.20193 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 36.82202911376953 3017.7626953125 6129.289420269431 953.6059184914499 -14.64489732655135 -1.094150312642749 0.1127128671832702 -0.06707569396397651 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1496] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1496] units Angstroms features 32 36.95 5162.28291 5162.285 6.0 1 1 23 74.86 5187.68748 5187.746 6.0 1 1 31 125.05 5221.30738 5221.271 6.0 1 1 17 352.90 5373.64047 5373.494 6.0 1 1 5 424.41 5421.31875 5421.352 6.0 1 1 8 536.35 5495.80133 5495.874 6.0 1 1 43 631.13 5558.7096 5558.702 6.0 1 1 55 703.54 5606.65802 5606.733 6.0 1 1 53 829.28 5689.67624 5689.6401 6.0 1 1 8 acs: add; not Ar 904.96 5739.48542 5739.52 6.0 1 1 16 999.94 5801.8195 5802.08 6.0 1 0 8 acs: increase 1168.81 5912.13162 5912.085 6.0 1 1 47 1194.40 5928.78622 5928.8101 6.0 1 1 20 acs: add 1215.66 5942.60635 5942.6665 6.0 1 1 7 acs: add 1302.73 5999.11037 5998.999 6.0 1 1 7 weak 1325.20 6013.65792 6013.678 6.0 1 1 6 1353.75 6032.12823 6032.127 6.0 1 1 170 1371.00 6043.27668 6043.223 6.0 1 1 67 1395.81 6059.29649 6059.373 6.0 1 1 33 1467.75 6105.65434 6105.635 6.0 1 1 19 1529.82 6145.54163 6145.441 6.0 1 1 18 1766.65 6296.76053 6296.872 6.0 1 1 13 1881.64 6369.60766 6369.575 6.0 1 1 9 1905.60 6384.73872 6384.717 6.0 1 1 33 1955.56 6416.229 6416.307 6.0 1 1 164 2257.29 6604.84655 6604.853 6.0 1 1 24 2374.40 6677.29337 6677.282 6.0 1 1 434 2497.38 6752.89239 6752.834 6.0 1 1 331 2691.57 6871.25254 6871.289 6.0 1 1 316 2847.67 6965.4447 6965.431 6.0 1 1 56184 2955.90 7030.23937 7030.251 6.0 1 1 319 3018.01 7067.22142 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 36.94519805908203 3018.01123046875 6129.273586017862 953.6274119449478 -14.64419269298034 -1.107539349312667 0.1227694037620583 -0.05061820316423375 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1501] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1501] units Angstroms features 32 37.12 5162.27289 5162.285 6.0 1 1 23 75.14 5187.75243 5187.746 6.0 1 1 31 125.21 5221.29709 5221.271 6.0 1 1 17 352.79 5373.46182 5373.494 6.0 1 1 5 424.59 5421.33886 5421.352 6.0 1 1 8 536.54 5495.83662 5495.874 6.0 1 1 43 631.32 5558.74109 5558.702 6.0 1 1 55 703.74 5606.69967 5606.733 6.0 1 1 53 829.68 5689.84738 5689.6401 6.0 1 1 8 acs: add; not Ar 905.15 5739.51869 5739.52 6.0 1 1 16 1000.22 5801.90736 5802.08 6.0 1 1 8 acs: increase 1168.98 5912.13789 5912.085 6.0 1 1 47 1194.64 5928.83818 5928.8101 6.0 1 1 20 acs: add 1215.68 5942.52195 5942.6665 6.0 1 1 7 acs: add 1303.02 5999.18727 5998.999 6.0 1 1 7 weak 1325.13 6013.5048 6013.678 6.0 1 1 6 1353.89 6032.10851 6032.127 6.0 1 1 170 1371.25 6043.32326 6043.223 6.0 1 1 67 1396.11 6059.37514 6059.373 6.0 1 1 33 1467.86 6105.61151 6105.635 6.0 1 1 19 1529.82 6145.42532 6145.441 6.0 1 1 18 1767.05 6296.8802 6296.872 6.0 1 1 13 1881.92 6369.64725 6369.575 6.0 1 1 9 1905.86 6384.76119 6384.717 6.0 1 1 33 1955.78 6416.23249 6416.307 6.0 1 1 164 2257.44 6604.79203 6604.853 6.0 1 1 24 2374.64 6677.29259 6677.282 6.0 1 1 434 2497.59 6752.88017 6752.834 6.0 1 1 331 2691.82 6871.26102 6871.289 6.0 1 1 316 2847.89 6965.43976 6965.431 6.0 1 1 56184 2956.16 7030.25563 7030.251 6.0 1 1 319 3018.23 7067.21362 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 37.12049102783203 3018.227783203126 6129.275317530964 953.6148484294126 -14.65131516877371 -1.090567347334361 0.1192496088649902 -0.05391509868391082 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1506] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1506] units Angstroms features 32 37.36 5162.30652 5162.285 6.0 1 1 23 75.30 5187.74441 5187.746 6.0 1 1 31 125.35 5221.28961 5221.271 6.0 1 1 17 352.84 5373.4026 5373.494 6.0 1 1 5 424.69 5421.30815 5421.352 6.0 1 1 8 536.73 5495.85146 5495.874 6.0 1 1 43 631.58 5558.79272 5558.702 6.0 1 1 55 703.92 5606.6897 5606.733 6.0 1 1 53 829.87 5689.82767 5689.6401 6.0 1 1 8 acs: add; not Ar 905.42 5739.54177 5739.52 6.0 1 1 16 1000.78 5802.10522 5802.08 6.0 1 1 8 acs: increase 1169.16 5912.0751 5912.085 6.0 1 1 47 1194.79 5928.75371 5928.8101 6.0 1 1 20 acs: add 1215.97 5942.51916 5942.6665 6.0 1 1 7 acs: add 1302.92 5998.93988 5998.999 6.0 1 1 7 weak 1325.07 6013.27754 6013.678 6.0 1 0 6 1354.12 6032.0641 6032.127 6.0 1 1 170 1371.57 6043.34193 6043.223 6.0 1 1 67 1396.43 6059.38911 6059.373 6.0 1 1 33 1468.14 6105.59555 6105.635 6.0 1 1 19 1530.18 6145.46617 6145.441 6.0 1 1 18 1767.31 6296.86384 6296.872 6.0 1 1 13 1882.17 6369.62264 6369.575 6.0 1 1 9 1906.22 6384.80967 6384.717 6.0 1 1 33 1956.08 6416.24295 6416.307 6.0 1 1 164 2257.81 6604.86022 6604.853 6.0 1 1 24 2374.87 6677.27767 6677.282 6.0 1 1 434 2497.77 6752.83245 6752.834 6.0 1 1 331 2692.04 6871.25063 6871.289 6.0 1 1 316 2848.12 6965.44289 6965.431 6.0 1 1 56184 2956.37 7030.25898 7030.251 6.0 1 1 319 3018.42 7067.21923 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 37.35625457763672 3018.4248046875 6129.273606711624 953.5795325374308 -14.61576401778603 -1.081845747320663 0.1050332989399082 -0.04133540639021409 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1511] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1511] units Angstroms features 32 37.41 5162.27277 5162.285 6.0 1 1 23 75.42 5187.76631 5187.746 6.0 1 1 31 125.54 5221.35904 5221.271 6.0 1 1 17 352.75 5373.2745 5373.494 6.0 1 1 5 424.77 5421.28666 5421.352 6.0 1 1 8 536.88 5495.86505 5495.874 6.0 1 1 43 631.85 5558.87417 5558.702 6.0 1 1 55 704.11 5606.70581 5606.733 6.0 1 1 53 830.08 5689.84645 5689.6401 6.0 1 1 8 acs: add; not Ar 905.59 5739.52695 5739.52 6.0 1 1 16 1001.02 5802.14307 5802.08 6.0 1 1 8 acs: increase 1169.35 5912.0723 5912.085 6.0 1 1 47 1194.86 5928.67187 5928.8101 6.0 1 1 20 acs: add 1216.18 5942.53491 5942.6665 6.0 1 1 7 acs: add 1303.08 5998.9244 5998.999 6.0 1 1 7 weak 1325.04 6013.13923 6013.678 6.0 1 0 6 1354.31 6032.07133 6032.127 6.0 1 1 170 1371.69 6043.30676 6043.223 6.0 1 1 67 1396.65 6059.42256 6059.373 6.0 1 1 33 1468.27 6105.57295 6105.635 6.0 1 1 19 1530.49 6145.55837 6145.441 6.0 1 1 18 1767.34 6296.78446 6296.872 6.0 1 1 13 1882.27 6369.59232 6369.575 6.0 1 1 9 1906.24 6384.73225 6384.717 6.0 1 1 33 1956.36 6416.32481 6416.307 6.0 1 1 164 2258.19 6604.98117 6604.853 6.0 1 1 24 2375.06 6677.26198 6677.282 6.0 1 1 434 2497.97 6752.80792 6752.834 6.0 1 1 331 2692.27 6871.21861 6871.289 6.0 1 1 316 2848.37 6965.42522 6965.431 6.0 1 1 56184 2956.63 7030.26421 7030.251 6.0 1 1 319 3018.67 7067.23652 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 37.4050178527832 3018.673583984375 6129.25545462981 953.5945844613198 -14.61498566400707 -1.091331644657142 0.1141781269608992 -0.02137946839515555 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1516] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1516] units Angstroms features 32 37.63 5162.27671 5162.285 6.0 1 1 23 75.61 5187.72173 5187.746 6.0 1 1 31 125.81 5221.3409 5221.271 6.0 1 1 17 353.37 5373.46791 5373.494 6.0 1 1 5 425.08 5421.28293 5421.352 6.0 1 1 8 537.06 5495.79989 5495.874 6.0 1 1 43 632.02 5558.82491 5558.702 6.0 1 1 55 704.33 5606.71329 5606.733 6.0 1 1 53 830.15 5689.78496 5689.6401 6.0 1 1 8 acs: add; not Ar 905.73 5739.53127 5739.52 6.0 1 1 16 1001.02 5802.06698 5802.08 6.0 1 1 8 acs: increase 1169.49 5912.10644 5912.085 6.0 1 1 47 1194.97 5928.68946 5928.8101 6.0 1 1 20 acs: add 1216.07 5942.40588 5942.6665 6.0 1 1 7 acs: add 1303.71 5999.27144 5998.999 6.0 1 1 7 weak 1325.44 6013.34295 6013.678 6.0 1 1 6 1354.48 6032.12715 6032.127 6.0 1 1 170 1371.78 6043.3053 6043.223 6.0 1 1 67 1396.88 6059.50938 6059.373 6.0 1 1 33 1468.45 6105.62329 6105.635 6.0 1 1 19 1530.83 6145.70686 6145.441 6.0 1 1 18 1767.38 6296.71823 6296.872 6.0 1 1 13 1882.41 6369.57987 6369.575 6.0 1 1 9 1906.24 6384.62062 6384.717 6.0 1 1 33 1956.51 6416.30957 6416.307 6.0 1 1 164 2258.39 6604.984 6604.853 6.0 1 1 24 2375.24 6677.25343 6677.282 6.0 1 1 434 2498.22 6752.84859 6752.834 6.0 1 1 331 2692.46 6871.23269 6871.289 6.0 1 1 316 2848.57 6965.42766 6965.431 6.0 1 1 56184 2956.89 7030.27717 7030.251 6.0 1 1 319 3018.92 7067.21226 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 37.63127136230469 3018.921142578125 6129.272569825182 953.6182826415193 -14.66171540079357 -1.094796521448642 0.1336345872387432 -0.05571178778983801 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1521] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1521] units Angstroms features 32 38.03 5162.33887 5162.285 6.0 1 1 23 75.81 5187.67701 5187.746 6.0 1 1 31 125.95 5221.27907 5221.271 6.0 1 1 17 353.65 5373.5415 5373.494 6.0 1 1 5 425.26 5421.29667 5421.352 6.0 1 1 8 537.25 5495.80621 5495.874 6.0 1 1 43 632.16 5558.79389 5558.702 6.0 1 1 55 704.52 5606.70537 5606.733 6.0 1 1 53 830.34 5689.76092 5689.6401 6.0 1 1 8 acs: add; not Ar 905.90 5739.48443 5739.52 6.0 1 1 16 1001.31 5802.08229 5802.08 6.0 1 1 8 acs: increase 1169.72 5912.06935 5912.085 6.0 1 1 47 1195.30 5928.71891 5928.8101 6.0 1 1 20 acs: add 1216.42 5942.44973 5942.6665 6.0 1 1 7 acs: add 1303.90 5999.20688 5998.999 6.0 1 1 7 weak 1325.36 6013.10375 6013.678 6.0 1 0 6 1354.68 6032.06169 6032.127 6.0 1 1 170 1371.98 6043.24345 6043.223 6.0 1 1 67 1397.13 6059.47951 6059.373 6.0 1 1 33 1468.59 6105.52812 6105.635 6.0 1 1 19 1530.99 6145.62024 6145.441 6.0 1 1 18 1767.84 6296.83584 6296.872 6.0 1 1 13 1882.64 6369.55369 6369.575 6.0 1 1 9 1906.65 6384.71317 6384.717 6.0 1 1 33 1956.62 6416.21309 6416.307 6.0 1 1 164 2258.56 6604.94343 6604.853 6.0 1 1 24 2375.48 6677.26669 6677.282 6.0 1 1 434 2498.45 6752.8552 6752.834 6.0 1 1 331 2692.74 6871.26732 6871.289 6.0 1 1 316 2848.75 6965.40608 6965.431 6.0 1 1 56184 2957.08 7030.25955 7030.251 6.0 1 1 319 3019.16 7067.22751 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 38.02675628662109 3019.155029296875 6129.325208151182 953.5673679804954 -14.64888403829309 -1.081641630268867 0.1068621781418493 -0.04140583452666432 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1526] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1526] units Angstroms features 32 38.15 5162.33794 5162.285 6.0 1 1 23 75.95 5187.68162 5187.746 6.0 1 1 31 126.11 5221.30262 5221.271 6.0 1 1 17 353.59 5373.41633 5373.494 6.0 1 1 5 425.51 5421.3629 5421.352 6.0 1 1 8 537.48 5495.85444 5495.874 6.0 1 1 43 632.33 5558.79219 5558.702 6.0 1 1 55 704.68 5606.69044 5606.733 6.0 1 1 53 830.37 5689.65479 5689.6401 6.0 1 1 8 acs: add; not Ar 906.24 5739.57422 5739.52 6.0 1 1 16 1001.61 5802.14879 5802.08 6.0 1 1 8 acs: increase 1169.91 5912.06124 5912.085 6.0 1 1 47 1195.60 5928.77971 5928.8101 6.0 1 1 20 acs: add 1216.73 5942.51956 5942.6665 6.0 1 1 7 acs: add 1303.77 5998.99399 5998.999 6.0 1 1 7 weak 1326.90 6013.9712 6013.678 6.0 1 0 6 1354.89 6032.07383 6032.127 6.0 1 1 170 1372.22 6043.27461 6043.223 6.0 1 1 67 1397.29 6059.46303 6059.373 6.0 1 1 33 1468.78 6105.531 6105.635 6.0 1 1 19 1531.08 6145.5665 6145.441 6.0 1 1 18 1768.12 6296.90733 6296.872 6.0 1 1 13 1882.67 6369.47318 6369.575 6.0 1 1 9 1906.85 6384.74449 6384.717 6.0 1 1 33 1956.88 6416.27805 6416.307 6.0 1 1 164 2258.64 6604.89079 6604.853 6.0 1 1 24 2375.72 6677.30391 6677.282 6.0 1 1 434 2498.67 6752.8686 6752.834 6.0 1 1 331 2692.93 6871.24975 6871.289 6.0 1 1 316 2848.97 6965.39755 6965.431 6.0 1 1 56184 2957.27 7030.23996 7030.251 6.0 1 1 319 3019.41 7067.25233 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 38.15278625488282 3019.407958984375 6129.33238341621 953.5805288639348 -14.64669577575754 -1.095148615863537 0.1094439202591737 -0.02818504716862067 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1531] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1531] units Angstroms features 32 38.29 5162.29597 5162.285 6.0 1 1 23 76.13 5187.65759 5187.746 6.0 1 1 31 126.41 5221.34344 5221.271 6.0 1 1 17 353.98 5373.50126 5373.494 6.0 1 1 5 425.86 5421.42315 5421.352 6.0 1 1 8 537.65 5495.81058 5495.874 6.0 1 1 43 632.53 5558.77605 5558.702 6.0 1 1 55 704.85 5606.66242 5606.733 6.0 1 1 53 830.47 5689.59185 5689.6401 6.0 1 1 8 acs: add; not Ar 906.41 5739.56105 5739.52 6.0 1 1 16 1001.61 5802.03202 5802.08 6.0 1 1 8 acs: increase 1170.13 5912.09544 5912.085 6.0 1 1 47 1195.74 5928.75888 5928.8101 6.0 1 1 20 acs: add 1216.97 5942.56084 5942.6665 6.0 1 1 7 acs: add 1303.94 5998.99395 5998.999 6.0 1 1 7 weak 1327.05 6013.95084 6013.678 6.0 1 0 6 1355.15 6032.12548 6032.127 6.0 1 1 170 1372.42 6043.28232 6043.223 6.0 1 1 67 1397.57 6059.52546 6059.373 6.0 1 1 33 1469.12 6105.62612 6105.635 6.0 1 1 19 1531.37 6145.61949 6145.441 6.0 1 1 18 1768.11 6296.76338 6296.872 6.0 1 1 13 1882.85 6369.43851 6369.575 6.0 1 1 9 1907.11 6384.76225 6384.717 6.0 1 1 33 1957.07 6416.25079 6416.307 6.0 1 1 164 2258.87 6604.88913 6604.853 6.0 1 1 24 2375.91 6677.28772 6677.282 6.0 1 1 434 2498.91 6752.89376 6752.834 6.0 1 1 331 2693.16 6871.27125 6871.289 6.0 1 1 316 2849.20 6965.41451 6965.431 6.0 1 1 56184 2957.52 7030.24251 7030.251 6.0 1 1 319 3019.66 7067.22853 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 38.28776550292969 3019.655517578125 6129.311965961472 953.6168559236222 -14.66025361967686 -1.099110540671188 0.1105395906031466 -0.05146831358948767 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1536] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1536] units Angstroms features 32 38.43 5162.28409 5162.285 6.0 1 1 23 76.36 5187.68662 5187.746 6.0 1 1 31 126.55 5221.28907 5221.271 6.0 1 1 17 354.50 5373.64991 5373.494 6.0 1 1 5 426.09 5421.38772 5421.352 6.0 1 1 8 537.80 5495.72727 5495.874 6.0 1 1 43 632.77 5558.76228 5558.702 6.0 1 1 55 705.08 5606.64646 5606.733 6.0 1 1 53 830.83 5689.67722 5689.6401 6.0 1 1 8 acs: add; not Ar 906.44 5739.43708 5739.52 6.0 1 1 16 1001.92 5802.09334 5802.08 6.0 1 1 8 acs: increase 1170.31 5912.07213 5912.085 6.0 1 1 47 1195.87 5928.70312 5928.8101 6.0 1 1 20 acs: add 1217.26 5942.61239 5942.6665 6.0 1 1 7 acs: add 1304.36 5999.11782 5998.999 6.0 1 1 7 weak 1326.91 6013.71534 6013.678 6.0 1 1 6 1355.32 6032.08523 6032.127 6.0 1 1 170 1372.65 6043.28279 6043.223 6.0 1 1 67 1397.86 6059.55338 6059.373 6.0 1 1 33 1469.29 6105.57485 6105.635 6.0 1 1 19 1531.43 6145.4953 6145.441 6.0 1 1 18 1768.54 6296.84549 6296.872 6.0 1 1 13 1883.37 6369.57171 6369.575 6.0 1 1 9 1907.29 6384.67656 6384.717 6.0 1 1 33 1957.29 6416.18788 6416.307 6.0 1 1 164 2259.25 6604.9347 6604.853 6.0 1 1 24 2376.12 6677.2413 6677.282 6.0 1 1 434 2499.11 6752.85607 6752.834 6.0 1 1 331 2693.44 6871.30744 6871.289 6.0 1 1 316 2849.45 6965.43003 6965.431 6.0 1 1 56184 2957.79 7030.25435 7030.251 6.0 1 1 319 3019.90 7067.20475 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 38.43132019042969 3019.901611328125 6129.27475772043 953.6405760685401 -14.64820455745095 -1.098429591711884 0.1178667401438738 -0.0818194639365668 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1541] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1541] units Angstroms features 32 38.57 5162.27384 5162.285 6.0 1 1 23 76.54 5187.7136 5187.746 6.0 1 1 31 126.69 5221.30978 5221.271 6.0 1 1 17 354.44 5373.55671 5373.494 6.0 1 1 5 426.12 5421.34564 5421.352 6.0 1 1 8 538.03 5495.79782 5495.874 6.0 1 1 43 632.96 5558.78356 5558.702 6.0 1 1 55 705.27 5606.65585 5606.733 6.0 1 1 53 831.05 5689.68054 5689.6401 6.0 1 1 8 acs: add; not Ar 906.63 5739.41056 5739.52 6.0 1 1 16 1002.32 5802.18766 5802.08 6.0 1 1 8 acs: increase 1170.49 5912.00565 5912.085 6.0 1 1 47 1196.11 5928.67924 5928.8101 6.0 1 1 20 acs: add 1217.60 5942.64762 5942.6665 6.0 1 1 7 acs: add 1304.65 5999.12273 5998.999 6.0 1 1 7 weak 1327.43 6013.86452 6013.678 6.0 1 1 6 1355.50 6032.02014 6032.127 6.0 1 1 170 1372.93 6043.27939 6043.223 6.0 1 1 67 1398.01 6059.46906 6059.373 6.0 1 1 33 1469.60 6105.59284 6105.635 6.0 1 1 19 1531.57 6145.40648 6145.441 6.0 1 1 18 1768.69 6296.78826 6296.872 6.0 1 1 13 1883.73 6369.65636 6369.575 6.0 1 1 9 1907.48 6384.65157 6384.717 6.0 1 1 33 1957.58 6416.23815 6416.307 6.0 1 1 164 2259.49 6604.96241 6604.853 6.0 1 1 24 2376.34 6677.2455 6677.282 6.0 1 1 434 2499.32 6752.84851 6752.834 6.0 1 1 331 2693.62 6871.27045 6871.289 6.0 1 1 316 2849.68 6965.41949 6965.431 6.0 1 1 56184 2958.04 7030.26386 7030.251 6.0 1 1 319 3020.13 7067.21593 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 38.57305908203125 3020.130859375 6129.267035470084 953.6316162009565 -14.62034331661633 -1.103620859395208 0.09819341152209277 -0.05695145830613027 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1546] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1546] units Angstroms features 32 38.71 5162.25308 5162.285 6.0 1 1 23 76.76 5187.74518 5187.746 6.0 1 1 31 126.89 5221.31785 5221.271 6.0 1 1 17 354.64 5373.55377 5373.494 6.0 1 1 5 426.22 5421.27497 5421.352 6.0 1 1 8 538.25 5495.8148 5495.874 6.0 1 1 43 633.14 5558.78606 5558.702 6.0 1 1 55 705.48 5606.68094 5606.733 6.0 1 1 53 831.23 5689.68966 5689.6401 6.0 1 1 8 acs: add; not Ar 906.90 5739.4858 5739.52 6.0 1 1 16 1002.37 5802.12012 5802.08 6.0 1 1 8 acs: increase 1170.70 5912.04224 5912.085 6.0 1 1 47 1196.42 5928.78146 5928.8101 6.0 1 1 20 acs: add 1217.86 5942.71942 5942.6665 6.0 1 1 7 acs: add 1304.34 5998.81657 5998.999 6.0 1 1 7 weak 1327.40 6013.74586 6013.678 6.0 1 1 6 1355.82 6032.12095 6032.127 6.0 1 1 170 1373.12 6043.29762 6043.223 6.0 1 1 67 1398.16 6059.46126 6059.373 6.0 1 1 33 1469.74 6105.57378 6105.635 6.0 1 1 19 1531.95 6145.53855 6145.441 6.0 1 1 18 1768.76 6296.7034 6296.872 6.0 1 1 13 1884.06 6369.72723 6369.575 6.0 1 1 9 1907.74 6384.67792 6384.717 6.0 1 1 33 1957.80 6416.23126 6416.307 6.0 1 1 164 2259.68 6604.9228 6604.853 6.0 1 1 24 2376.63 6677.26869 6677.282 6.0 1 1 434 2499.57 6752.85071 6752.834 6.0 1 1 331 2693.85 6871.25737 6871.289 6.0 1 1 316 2849.91 6965.41477 6965.431 6.0 1 1 56184 2958.31 7030.2799 7030.251 6.0 1 1 319 3020.37 7067.2097 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 38.70856094360352 3020.36572265625 6129.252974482277 953.6400612154232 -14.62996476178215 -1.094461456812669 0.1083806628032266 -0.06729335972904579 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1551] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1551] units Angstroms features 32 38.92 5162.26292 5162.285 6.0 1 1 23 77.02 5187.77182 5187.746 6.0 1 1 31 127.02 5221.24349 5221.271 6.0 1 1 17 355.14 5373.71158 5373.494 6.0 1 1 5 426.34 5421.19051 5421.352 6.0 1 1 8 538.42 5495.7711 5495.874 6.0 1 1 43 633.29 5558.73754 5558.702 6.0 1 1 55 705.69 5606.6867 5606.733 6.0 1 1 53 831.47 5689.73276 5689.6401 6.0 1 1 8 acs: add; not Ar 907.14 5739.53118 5739.52 6.0 1 1 16 1002.48 5802.09006 5802.08 6.0 1 1 8 acs: increase 1170.97 5912.12657 5912.085 6.0 1 1 47 1196.66 5928.84014 5928.8101 6.0 1 1 20 acs: add 1217.79 5942.57986 5942.6665 6.0 1 1 7 acs: add 1304.53 5998.84415 5998.999 6.0 1 1 7 weak 1326.92 6013.34098 6013.678 6.0 1 0 6 1356.04 6032.16677 6032.127 6.0 1 1 170 1373.27 6043.30051 6043.223 6.0 1 1 67 1398.30 6059.45173 6059.373 6.0 1 1 33 1469.82 6105.52777 6105.635 6.0 1 1 19 1532.04 6145.49294 6145.441 6.0 1 1 18 1769.28 6296.90646 6296.872 6.0 1 1 13 1884.07 6369.60564 6369.575 6.0 1 1 9 1907.99 6384.70511 6384.717 6.0 1 1 33 1957.98 6416.21209 6416.307 6.0 1 1 164 2259.90 6604.91333 6604.853 6.0 1 1 24 2376.84 6677.2578 6677.282 6.0 1 1 434 2499.80 6752.85065 6752.834 6.0 1 1 331 2694.08 6871.26773 6871.289 6.0 1 1 316 2850.18 6965.4398 6965.431 6.0 1 1 56184 2958.50 7030.24483 7030.251 6.0 1 1 319 3020.65 7067.22217 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 38.9225959777832 3020.65283203125 6129.273960423567 953.6577013881855 -14.6527158000334 -1.092087733324912 0.1212964105871195 -0.08598786299917635 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1556] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1556] units Angstroms features 32 39.22 5162.30342 5162.285 6.0 1 1 23 77.16 5187.7456 5187.746 6.0 1 1 31 127.20 5221.28312 5221.271 6.0 1 1 17 354.79 5373.46413 5373.494 6.0 1 1 5 426.49 5421.25947 5421.352 6.0 1 1 8 538.63 5495.85566 5495.874 6.0 1 1 43 633.52 5558.80758 5558.702 6.0 1 1 55 705.90 5606.72144 5606.733 6.0 1 1 53 831.67 5689.72573 5689.6401 6.0 1 1 8 acs: add; not Ar 907.34 5739.50659 5739.52 6.0 1 1 16 1002.62 5802.01331 5802.08 6.0 1 1 8 acs: increase 1171.21 5912.10743 5912.085 6.0 1 1 47 1196.89 5928.81808 5928.8101 6.0 1 1 20 acs: add 1218.28 5942.72255 5942.6665 6.0 1 1 7 acs: add 1305.05 5999.02056 5998.999 6.0 1 1 7 weak 1327.59 6013.61215 6013.678 6.0 1 1 6 1356.26 6032.15054 6032.127 6.0 1 1 170 1373.54 6043.31607 6043.223 6.0 1 1 67 1398.46 6059.40458 6059.373 6.0 1 1 33 1470.01 6105.50984 6105.635 6.0 1 1 19 1532.01 6145.34946 6145.441 6.0 1 1 18 1769.22 6296.78536 6296.872 6.0 1 1 13 1884.07 6369.53228 6369.575 6.0 1 1 9 1908.27 6384.81198 6384.717 6.0 1 1 33 1958.29 6416.3376 6416.307 6.0 1 1 164 2260.11 6604.95314 6604.853 6.0 1 1 24 2377.06 6677.26801 6677.282 6.0 1 1 434 2500.06 6752.85247 6752.834 6.0 1 1 331 2694.36 6871.22911 6871.289 6.0 1 1 316 2850.43 6965.38759 6965.431 6.0 1 1 56184 2958.77 7030.24557 7030.251 6.0 1 1 319 3020.92 7067.26328 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 39.22162246704102 3020.915283203124 6129.331946266989 953.5958867248378 -14.65870351793476 -1.093738134378732 0.1101050968310586 -0.02221797125927928 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1561] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1561] units Angstroms features 32 39.42 5162.32463 5162.285 6.0 1 1 23 77.29 5187.70928 5187.746 6.0 1 1 31 127.43 5221.299 5221.271 6.0 1 1 17 354.97 5373.42012 5373.494 6.0 1 1 5 426.83 5421.3183 5421.352 6.0 1 1 8 538.84 5495.82882 5495.874 6.0 1 1 43 633.79 5558.8272 5558.702 6.0 1 1 55 706.15 5606.72978 5606.733 6.0 1 1 53 831.80 5689.65725 5689.6401 6.0 1 1 8 acs: add; not Ar 907.65 5739.5611 5739.52 6.0 1 1 16 1003.04 5802.14541 5802.08 6.0 1 1 8 acs: increase 1171.40 5912.08705 5912.085 6.0 1 1 47 1197.01 5928.74831 5928.8101 6.0 1 1 20 acs: add 1218.21 5942.53051 5942.6665 6.0 1 1 7 acs: add 1305.38 5999.08485 5998.999 6.0 1 1 7 weak 1327.77 6013.57848 6013.678 6.0 1 1 6 1356.50 6032.15242 6032.127 6.0 1 1 170 1373.67 6043.25135 6043.223 6.0 1 1 67 1398.72 6059.41805 6059.373 6.0 1 1 33 1470.09 6105.4036 6105.635 6.0 1 0 19 1532.36 6145.40757 6145.441 6.0 1 1 18 1769.56 6296.83113 6296.872 6.0 1 1 13 1884.38 6369.55241 6369.575 6.0 1 1 9 1908.51 6384.7868 6384.717 6.0 1 1 33 1958.52 6416.30848 6416.307 6.0 1 1 164 2260.28 6604.88973 6604.853 6.0 1 1 24 2377.34 6677.28398 6677.282 6.0 1 1 434 2500.28 6752.83817 6752.834 6.0 1 1 331 2694.65 6871.26841 6871.289 6.0 1 1 316 2850.67 6965.39205 6965.431 6.0 1 1 56184 2959.03 7030.25389 7030.251 6.0 1 1 319 3021.15 7067.24418 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 39.41936492919922 3021.14794921875 6129.317914031611 953.5945858103437 -14.64663377276446 -1.096750195563759 0.1131213611837989 -0.03806171658953292 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1566] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1566] units Angstroms features 32 39.52 5162.31593 5162.285 6.0 1 1 23 77.41 5187.70474 5187.746 6.0 1 1 31 127.56 5221.29568 5221.271 6.0 1 1 17 355.26 5373.48345 5373.494 6.0 1 1 5 427.01 5421.31033 5421.352 6.0 1 1 8 539.05 5495.8358 5495.874 6.0 1 1 43 633.94 5558.79093 5558.702 6.0 1 1 55 706.38 5606.74497 5606.733 6.0 1 1 53 831.80 5689.52567 5689.6401 6.0 1 1 8 acs: add; not Ar 907.77 5739.50864 5739.52 6.0 1 1 16 1003.60 5802.38143 5802.08 6.0 1 1 8 acs: increase 1171.59 5912.07763 5912.085 6.0 1 1 47 1197.06 5928.65454 5928.8101 6.0 1 1 20 acs: add 1218.30 5942.4625 5942.6665 6.0 1 1 7 acs: add 1305.91 5999.30008 5998.999 6.0 1 1 7 weak 1327.85 6013.5026 6013.678 6.0 1 1 6 1356.66 6032.13272 6032.127 6.0 1 1 170 1373.88 6043.25756 6043.223 6.0 1 1 67 1398.94 6059.4372 6059.373 6.0 1 1 33 1470.48 6105.52284 6105.635 6.0 1 1 19 1532.58 6145.42578 6145.441 6.0 1 1 18 1770.06 6297.01291 6296.872 6.0 1 1 13 1884.57 6369.53537 6369.575 6.0 1 1 9 1908.58 6384.69345 6384.717 6.0 1 1 33 1958.68 6416.26773 6416.307 6.0 1 1 164 2260.49 6604.87209 6604.853 6.0 1 1 24 2377.60 6677.29353 6677.282 6.0 1 1 434 2500.55 6752.85712 6752.834 6.0 1 1 331 2694.91 6871.27936 6871.289 6.0 1 1 316 2850.92 6965.3965 6965.431 6.0 1 1 56184 2959.23 7030.23025 7030.251 6.0 1 1 319 3021.41 7067.25438 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 39.51801300048828 3021.4072265625 6129.300902507627 953.6158034501951 -14.63944406333746 -1.104644047764705 0.1236934035441681 -0.04193315574320062 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1571] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1571] units Angstroms features 32 39.79 5162.29282 5162.285 6.0 1 1 23 77.66 5187.68413 5187.746 6.0 1 1 31 127.88 5221.34835 5221.271 6.0 1 1 17 355.31 5373.40899 5373.494 6.0 1 1 5 427.30 5421.39958 5421.352 6.0 1 1 8 539.29 5495.88529 5495.874 6.0 1 1 43 634.12 5558.79354 5558.702 6.0 1 1 55 706.53 5606.71543 5606.733 6.0 1 1 53 832.01 5689.51861 5689.6401 6.0 1 1 8 acs: add; not Ar 907.87 5739.41955 5739.52 6.0 1 1 16 1003.74 5802.29666 5802.08 6.0 1 1 8 acs: increase 1171.78 5912.01177 5912.085 6.0 1 1 47 1197.29 5928.6028 5928.8101 6.0 1 1 20 acs: add 1218.86 5942.62421 5942.6665 6.0 1 1 7 acs: add 1306.17 5999.25717 5998.999 6.0 1 1 7 weak 1328.85 6013.94014 6013.678 6.0 1 1 6 1356.82 6032.02694 6032.127 6.0 1 1 170 1374.16 6043.22962 6043.223 6.0 1 1 67 1399.09 6059.32213 6059.373 6.0 1 1 33 1470.81 6105.52406 6105.635 6.0 1 1 19 1532.93 6145.43429 6145.441 6.0 1 1 18 1770.24 6296.92074 6296.872 6.0 1 1 13 1885.04 6369.62762 6369.575 6.0 1 1 9 1908.83 6384.64974 6384.717 6.0 1 1 33 1958.93 6416.22606 6416.307 6.0 1 1 164 2260.78 6604.87392 6604.853 6.0 1 1 24 2377.88 6677.29813 6677.282 6.0 1 1 434 2500.85 6752.87169 6752.834 6.0 1 1 331 2695.20 6871.2869 6871.289 6.0 1 1 316 2851.18 6965.38309 6965.431 6.0 1 1 56184 2959.56 7030.2503 7030.251 6.0 1 1 319 3021.69 7067.23942 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 39.79423904418945 3021.688720703125 6129.30773735725 953.5911103923078 -14.63100529126444 -1.087248377554413 0.08938820834185399 -0.03055889062747907 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1576] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1576] units Angstroms features 32 40.01 5162.28933 5162.285 6.0 1 1 23 77.91 5187.70005 5187.746 6.0 1 1 31 128.12 5221.34709 5221.271 6.0 1 1 17 355.55 5373.39953 5373.494 6.0 1 1 5 427.58 5421.41726 5421.352 6.0 1 1 8 539.43 5495.81176 5495.874 6.0 1 1 43 634.33 5558.76589 5558.702 6.0 1 1 55 706.75 5606.70069 5606.733 6.0 1 1 53 832.44 5689.64691 5689.6401 6.0 1 1 8 acs: add; not Ar 908.21 5739.49146 5739.52 6.0 1 1 16 1003.89 5802.25015 5802.08 6.0 1 1 8 acs: increase 1172.00 5912.00952 5912.085 6.0 1 1 47 1197.60 5928.66741 5928.8101 6.0 1 1 20 acs: add 1219.02 5942.5926 5942.6665 6.0 1 1 7 acs: add 1306.30 5999.20531 5998.999 6.0 1 1 7 weak 1328.75 6013.74051 6013.678 6.0 1 1 6 1357.09 6032.06069 6032.127 6.0 1 1 170 1374.41 6043.25038 6043.223 6.0 1 1 67 1399.48 6059.4369 6059.373 6.0 1 1 33 1471.00 6105.51325 6105.635 6.0 1 1 19 1533.12 6145.42134 6145.441 6.0 1 1 18 1770.40 6296.88342 6296.872 6.0 1 1 13 1885.30 6369.65762 6369.575 6.0 1 1 9 1909.05 6384.65046 6384.717 6.0 1 1 33 1959.18 6416.24675 6416.307 6.0 1 1 164 2261.06 6604.90663 6604.853 6.0 1 1 24 2378.12 6677.30005 6677.282 6.0 1 1 434 2501.07 6752.85828 6752.834 6.0 1 1 331 2695.39 6871.2505 6871.289 6.0 1 1 316 2851.45 6965.39063 6965.431 6.0 1 1 56184 2959.85 7030.26573 7030.251 6.0 1 1 319 3021.95 7067.23559 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 40.01358795166016 3021.948486328125 6129.30792438194 953.5998303054421 -14.64235816410255 -1.092850897146211 0.09689157784221785 -0.03384955612605121 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1581] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1581] units Angstroms features 32 40.24 5162.35166 5162.285 6.0 1 1 23 78.07 5187.72052 5187.746 6.0 1 1 31 128.16 5221.2931 5221.271 6.0 1 1 17 355.46 5373.24686 5373.494 6.0 1 1 5 427.73 5421.41287 5421.352 6.0 1 1 8 539.67 5495.85811 5495.874 6.0 1 1 43 634.59 5558.81557 5558.702 6.0 1 1 55 706.95 5606.70198 5606.733 6.0 1 1 53 832.73 5689.70482 5689.6401 6.0 1 1 8 acs: add; not Ar 908.54 5739.56998 5739.52 6.0 1 1 16 1004.13 5802.27642 5802.08 6.0 1 1 8 acs: increase 1172.22 5912.03505 5912.085 6.0 1 1 47 1197.92 5928.75767 5928.8101 6.0 1 1 20 acs: add 1219.16 5942.56848 5942.6665 6.0 1 1 7 acs: add 1306.19 5999.03169 5998.999 6.0 1 1 7 weak 1328.39 6013.40081 6013.678 6.0 1 1 6 1357.32 6032.11351 6032.127 6.0 1 1 170 1374.65 6043.31232 6043.223 6.0 1 1 67 1399.70 6059.48272 6059.373 6.0 1 1 33 1471.35 6105.64448 6105.635 6.0 1 1 19 1533.21 6145.39198 6145.441 6.0 1 1 18 1770.45 6296.84601 6296.872 6.0 1 1 13 1885.35 6369.60923 6369.575 6.0 1 1 9 1909.18 6384.65355 6384.717 6.0 1 1 33 1959.41 6416.31175 6416.307 6.0 1 1 164 2261.50 6605.04793 6604.853 6.0 1 1 24 2378.36 6677.28898 6677.282 6.0 1 1 434 2501.30 6752.81412 6752.834 6.0 1 1 331 2695.65 6871.19863 6871.289 6.0 1 1 316 2851.73 6965.36557 6965.431 6.0 1 1 56184 2960.11 7030.26617 7030.251 6.0 1 1 319 3022.21 7067.27113 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 40.23502349853516 3022.209228515625 6129.33843847041 953.5634922894893 -14.65330676075926 -1.097842451635108 0.1262632217186872 -0.005911569641772298 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1586] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1586] units Angstroms features 32 40.46 5162.33627 5162.285 6.0 1 1 23 78.32 5187.72749 5187.746 6.0 1 1 31 128.43 5221.30357 5221.271 6.0 1 1 17 355.69 5373.22891 5373.494 6.0 1 1 5 428.02 5421.43531 5421.352 6.0 1 1 8 539.95 5495.87723 5495.874 6.0 1 1 43 634.83 5558.80978 5558.702 6.0 1 1 55 707.17 5606.68746 5606.733 6.0 1 1 53 833.02 5689.73413 5689.6401 6.0 1 1 8 acs: add; not Ar 908.71 5739.52385 5739.52 6.0 1 1 16 1004.35 5802.26677 5802.08 6.0 1 1 8 acs: increase 1172.52 5912.0812 5912.085 6.0 1 1 47 1198.06 5928.69994 5928.8101 6.0 1 1 20 acs: add 1219.22 5942.45838 5942.6665 6.0 1 1 7 acs: add 1306.61 5999.16061 5998.999 6.0 1 1 7 weak 1328.70 6013.46206 6013.678 6.0 1 1 6 1357.55 6032.11663 6032.127 6.0 1 1 170 1374.86 6043.30293 6043.223 6.0 1 1 67 1399.84 6059.43057 6059.373 6.0 1 1 33 1471.46 6105.58021 6105.635 6.0 1 1 19 1533.66 6145.54476 6145.441 6.0 1 1 18 1770.62 6296.8153 6296.872 6.0 1 1 13 1885.45 6369.53768 6369.575 6.0 1 1 9 1909.41 6384.6648 6384.717 6.0 1 1 33 1959.60 6416.29124 6416.307 6.0 1 1 164 2261.79 6605.07752 6604.853 6.0 1 1 24 2378.61 6677.28678 6677.282 6.0 1 1 434 2501.59 6752.82859 6752.834 6.0 1 1 331 2695.94 6871.2041 6871.289 6.0 1 1 316 2851.99 6965.34923 6965.431 6.0 1 1 56184 2960.38 7030.26013 7030.251 6.0 1 1 319 3022.49 7067.28026 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 40.46075820922852 3022.48779296875 6129.339391145238 953.5723856132225 -14.66684002924799 -1.099804238506191 0.1357158848623841 -5.845651986001597E-4 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1591] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1591] units Angstroms features 32 40.65 5162.31013 5162.285 6.0 1 1 23 78.51 5187.70673 5187.746 6.0 1 1 31 128.73 5221.36827 5221.271 6.0 1 1 17 355.85 5373.19847 5373.494 6.0 1 1 5 428.33 5421.49715 5421.352 6.0 1 1 8 540.10 5495.82049 5495.874 6.0 1 1 43 635.02 5558.77166 5558.702 6.0 1 1 55 707.44 5606.69539 5606.733 6.0 1 1 53 833.48 5689.85601 5689.6401 6.0 1 1 8 acs: add; not Ar 908.89 5739.45933 5739.52 6.0 1 1 16 1004.54 5802.20991 5802.08 6.0 1 1 8 acs: increase 1172.77 5912.06806 5912.085 6.0 1 1 47 1198.23 5928.63829 5928.8101 6.0 1 1 20 acs: add 1219.56 5942.50261 5942.6665 6.0 1 1 7 acs: add 1306.94 5999.20462 5998.999 6.0 1 1 7 weak 1329.18 6013.60372 6013.678 6.0 1 1 6 1357.77 6032.0969 6032.127 6.0 1 1 170 1375.10 6043.29315 6043.223 6.0 1 1 67 1400.10 6059.44037 6059.373 6.0 1 1 33 1471.52 6105.46106 6105.635 6.0 1 1 19 1533.91 6145.55518 6145.441 6.0 1 1 18 1770.88 6296.85267 6296.872 6.0 1 1 13 1885.54 6369.48185 6369.575 6.0 1 1 9 1909.58 6384.6532 6384.717 6.0 1 1 33 1959.88 6416.35594 6416.307 6.0 1 1 164 2261.82 6604.9856 6604.853 6.0 1 1 24 2378.88 6677.33833 6677.282 6.0 1 1 434 2501.85 6752.86162 6752.834 6.0 1 1 331 2696.16 6871.19142 6871.289 6.0 1 1 316 2852.25 6965.33917 6965.431 6.0 1 1 56184 2960.68 7030.26994 7030.251 6.0 1 1 319 3022.78 7067.27646 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 40.64643096923828 3022.776123046875 6129.339995342413 953.5959247688348 -14.67612304391908 -1.125818146568919 0.1294232520626717 0.01305716575379891 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1596] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1596] units Angstroms features 32 40.89 5162.34109 5162.285 6.0 1 1 23 78.67 5187.66589 5187.746 6.0 1 1 31 128.95 5221.35406 5221.271 6.0 1 1 17 356.35 5373.35085 5373.494 6.0 1 1 5 428.38 5421.36294 5421.352 6.0 1 1 8 540.28 5495.78652 5495.874 6.0 1 1 43 635.24 5558.78261 5558.702 6.0 1 1 55 707.67 5606.71954 5606.733 6.0 1 1 53 833.67 5689.87134 5689.6401 6.0 1 1 8 acs: add; not Ar 909.05 5739.46313 5739.52 6.0 1 1 16 1004.72 5802.22247 5802.08 6.0 1 1 8 acs: increase 1172.95 5912.07751 5912.085 6.0 1 1 47 1198.41 5928.64551 5928.8101 6.0 1 1 20 acs: add 1219.75 5942.51638 5942.6665 6.0 1 1 7 acs: add 1306.68 5998.91325 5998.999 6.0 1 1 7 weak 1329.51 6013.69361 6013.678 6.0 1 1 6 1358.02 6032.13093 6032.127 6.0 1 1 170 1375.41 6043.36576 6043.223 6.0 1 1 67 1400.32 6059.45006 6059.373 6.0 1 1 33 1471.86 6105.53589 6105.635 6.0 1 1 19 1534.03 6145.48071 6145.441 6.0 1 1 18 1771.22 6296.8813 6296.872 6.0 1 1 13 1885.97 6369.54825 6369.575 6.0 1 1 9 1909.91 6384.66305 6384.717 6.0 1 1 33 1960.12 6416.29672 6416.307 6.0 1 1 164 2262.12 6604.96954 6604.853 6.0 1 1 24 2379.14 6677.31044 6677.282 6.0 1 1 434 2502.16 6752.88009 6752.834 6.0 1 1 331 2696.39 6871.18606 6871.289 6.0 1 1 316 2852.52 6965.35808 6965.431 6.0 1 1 56184 2960.98 7030.28598 7030.251 6.0 1 1 319 3023.05 7067.25418 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 40.8862075805664 3023.051025390625 6129.346456486646 953.5840101878554 -14.68033903771565 -1.106901535341664 0.1315146467074433 -0.02056255060193464 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1601] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1601] units Angstroms features 32 41.15 5162.38015 5162.285 6.0 1 1 23 78.87 5187.64205 5187.746 6.0 1 1 31 129.13 5221.2844 5221.271 6.0 1 1 17 356.81 5373.45021 5373.494 6.0 1 1 5 428.71 5421.38368 5421.352 6.0 1 1 8 540.50 5495.75633 5495.874 6.0 1 1 43 635.50 5558.80196 5558.702 6.0 1 1 55 707.91 5606.74588 5606.733 6.0 1 1 53 833.57 5689.69178 5689.6401 6.0 1 1 8 acs: add; not Ar 909.27 5739.49755 5739.52 6.0 1 1 16 1004.90 5802.23626 5802.08 6.0 1 1 8 acs: increase 1173.27 5912.16255 5912.085 6.0 1 1 47 1198.59 5928.63528 5928.8101 6.0 1 1 20 acs: add 1219.95 5942.51587 5942.6665 6.0 1 1 7 acs: add 1306.92 5998.91867 5998.999 6.0 1 1 7 weak 1329.75 6013.69058 6013.678 6.0 1 1 6 1358.28 6032.13741 6032.127 6.0 1 1 170 1375.62 6043.3352 6043.223 6.0 1 1 67 1400.49 6059.38337 6059.373 6.0 1 1 33 1472.13 6105.51727 6105.635 6.0 1 1 19 1534.42 6145.52259 6145.441 6.0 1 1 18 1771.75 6296.95715 6296.872 6.0 1 1 13 1886.54 6369.63409 6369.575 6.0 1 1 9 1910.43 6384.71352 6384.717 6.0 1 1 33 1960.38 6416.18494 6416.307 6.0 1 1 164 2262.41 6604.91326 6604.853 6.0 1 1 24 2379.34 6677.23471 6677.282 6.0 1 1 434 2502.42 6752.88812 6752.834 6.0 1 1 331 2696.65 6871.2392 6871.289 6.0 1 1 316 2852.78 6965.41579 6965.431 6.0 1 1 56184 2961.22 7030.277 7030.251 6.0 1 1 319 3023.32 7067.21686 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 41.14614486694336 3023.32421875 6129.343047826031 953.5837422199102 -14.6609452473315 -1.081173627899848 0.1164014698023008 -0.08421398591097544 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1606] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1606] units Angstroms features 32 41.35 5162.37625 5162.285 6.0 1 1 23 79.03 5187.63831 5187.746 6.0 1 1 31 129.30 5221.31502 5221.271 6.0 1 1 17 356.74 5373.34883 5373.494 6.0 1 1 5 428.84 5421.40316 5421.352 6.0 1 1 8 540.74 5495.82243 5495.874 6.0 1 1 43 635.73 5558.83529 5558.702 6.0 1 1 55 708.17 5606.77726 5606.733 6.0 1 1 53 833.73 5689.625 5689.6401 6.0 1 1 8 acs: add; not Ar 909.58 5739.51679 5739.52 6.0 1 1 16 1005.09 5802.16189 5802.08 6.0 1 1 8 acs: increase 1173.48 5912.09891 5912.085 6.0 1 1 47 1198.98 5928.68334 5928.8101 6.0 1 1 20 acs: add 1220.32 5942.5583 5942.6665 6.0 1 1 7 acs: add 1307.46 5999.07191 5998.999 6.0 1 1 7 weak 1329.97 6013.64353 6013.678 6.0 1 1 6 1358.56 6032.13046 6032.127 6.0 1 1 170 1375.80 6043.26446 6043.223 6.0 1 1 67 1400.80 6059.40236 6059.373 6.0 1 1 33 1472.44 6105.54535 6105.635 6.0 1 1 19 1534.57 6145.45827 6145.441 6.0 1 1 18 1771.80 6296.86608 6296.872 6.0 1 1 13 1886.75 6369.65965 6369.575 6.0 1 1 9 1910.70 6384.78059 6384.717 6.0 1 1 33 1960.67 6416.26917 6416.307 6.0 1 1 164 2262.38 6604.78941 6604.853 6.0 1 1 24 2379.58 6677.25736 6677.282 6.0 1 1 434 2502.67 6752.88777 6752.834 6.0 1 1 331 2697.06 6871.2984 6871.289 6.0 1 1 316 2853.08 6965.39009 6965.431 6.0 1 1 56184 2961.49 7030.25339 7030.251 6.0 1 1 319 3023.63 7067.23468 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 41.3452377319336 3023.633544921875 6129.363015872586 953.5687474664789 -14.65787981118086 -1.101522969106233 0.1003274262808198 -0.03801160204960364 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1611] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1611] units Angstroms features 32 41.41 5162.30699 5162.285 6.0 1 1 23 79.24 5187.65631 5187.746 6.0 1 1 31 129.58 5221.36043 5221.271 6.0 1 1 17 357.28 5373.52193 5373.494 6.0 1 1 5 428.96 5421.28856 5421.352 6.0 1 1 8 541.02 5495.80871 5495.874 6.0 1 1 43 635.94 5558.76575 5558.702 6.0 1 1 55 708.37 5606.70278 5606.733 6.0 1 1 53 834.25 5689.77141 5689.6401 6.0 1 1 8 acs: add; not Ar 909.80 5739.46978 5739.52 6.0 1 1 16 1005.25 5802.07996 5802.08 6.0 1 1 8 acs: increase 1173.66 5912.04224 5912.085 6.0 1 1 47 1199.31 5928.7358 5928.8101 6.0 1 1 20 acs: add 1220.74 5942.66285 5942.6665 6.0 1 1 7 acs: add 1307.58 5998.99598 5998.999 6.0 1 1 7 weak 1330.38 6013.75528 6013.678 6.0 1 1 6 1358.79 6032.12504 6032.127 6.0 1 1 170 1376.04 6043.27139 6043.223 6.0 1 1 67 1401.12 6059.45915 6059.373 6.0 1 1 33 1472.66 6105.54472 6105.635 6.0 1 1 19 1534.70 6145.40313 6145.441 6.0 1 1 18 1771.88 6296.79376 6296.872 6.0 1 1 13 1887.06 6369.72796 6369.575 6.0 1 1 9 1910.81 6384.72143 6384.717 6.0 1 1 33 1960.83 6416.24236 6416.307 6.0 1 1 164 2262.64 6604.80649 6604.853 6.0 1 1 24 2379.90 6677.29755 6677.282 6.0 1 1 434 2502.94 6752.88388 6752.834 6.0 1 1 331 2697.34 6871.28589 6871.289 6.0 1 1 316 2853.37 6965.38199 6965.431 6.0 1 1 56184 2961.80 7030.2631 7030.251 6.0 1 1 319 3023.91 7067.23108 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 41.40711975097656 3023.907958984375 6129.306104456931 953.6252587552729 -14.66124197061902 -1.129599169698215 0.1241747389541008 -0.03361489953013042 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1616] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1616] units Angstroms features 32 41.63 5162.29957 5162.285 6.0 1 1 23 79.50 5187.65968 5187.746 6.0 1 1 31 129.81 5221.33887 5221.271 6.0 1 1 17 357.70 5373.61717 5373.494 6.0 1 1 5 429.20 5421.26199 5421.352 6.0 1 1 8 541.26 5495.79032 5495.874 6.0 1 1 43 636.20 5558.77573 5558.702 6.0 1 1 55 708.56 5606.66552 5606.733 6.0 1 1 53 834.40 5689.71307 5689.6401 6.0 1 1 8 acs: add; not Ar 910.14 5739.54244 5739.52 6.0 1 1 16 1005.42 5802.04186 5802.08 6.0 1 1 8 acs: increase 1173.83 5912.00211 5912.085 6.0 1 1 47 1199.56 5928.7406 5928.8101 6.0 1 1 20 acs: add 1220.88 5942.60163 5942.6665 6.0 1 1 7 acs: add 1308.08 5999.16245 5998.999 6.0 1 1 7 weak 1330.60 6013.73795 6013.678 6.0 1 1 6 1359.00 6032.09853 6032.127 6.0 1 1 170 1376.34 6043.30323 6043.223 6.0 1 1 67 1401.30 6059.41134 6059.373 6.0 1 1 33 1472.91 6105.53499 6105.635 6.0 1 1 19 1535.12 6145.49515 6145.441 6.0 1 1 18 1772.30 6296.86511 6296.872 6.0 1 1 13 1887.14 6369.58317 6369.575 6.0 1 1 9 1911.07 6384.68937 6384.717 6.0 1 1 33 1961.09 6416.20587 6416.307 6.0 1 1 164 2263.14 6604.92787 6604.853 6.0 1 1 24 2380.15 6677.27813 6677.282 6.0 1 1 434 2503.16 6752.85865 6752.834 6.0 1 1 331 2697.56 6871.27127 6871.289 6.0 1 1 316 2853.64 6965.38863 6965.431 6.0 1 1 56184 2962.15 7030.3008 7030.251 6.0 1 1 319 3024.17 7067.20062 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 41.62798309326172 3024.16845703125 6129.289343507963 953.6289291272478 -14.66091424811709 -1.125300737159154 0.1216678983792414 -0.05310386485776628 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1621] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1621] units Angstroms features 32 41.87 5162.33706 5162.285 6.0 1 1 23 79.75 5187.69002 5187.746 6.0 1 1 31 129.91 5221.26181 5221.271 6.0 1 1 17 357.94 5373.61862 5373.494 6.0 1 1 5 429.36 5421.21802 5421.352 6.0 1 1 8 541.46 5495.79005 5495.874 6.0 1 1 43 636.40 5558.78409 5558.702 6.0 1 1 55 708.78 5606.70131 5606.733 6.0 1 1 53 834.58 5689.74317 5689.6401 6.0 1 1 8 acs: add; not Ar 910.28 5739.54737 5739.52 6.0 1 1 16 1005.72 5802.15979 5802.08 6.0 1 1 8 acs: increase 1173.90 5911.96385 5912.085 6.0 1 1 47 1199.63 5928.70206 5928.8101 6.0 1 1 20 acs: add 1221.00 5942.59272 5942.6665 6.0 1 1 7 acs: add 1308.64 5999.43113 5998.999 6.0 1 0 7 weak 1330.71 6013.71164 6013.678 6.0 1 1 6 1359.22 6032.14021 6032.127 6.0 1 1 170 1376.45 6043.27059 6043.223 6.0 1 1 67 1401.52 6059.44553 6059.373 6.0 1 1 33 1473.00 6105.48089 6105.635 6.0 1 1 19 1535.47 6145.59832 6145.441 6.0 1 1 18 1772.68 6296.95255 6296.872 6.0 1 1 13 1887.18 6369.4378 6369.575 6.0 1 1 9 1911.47 6384.76895 6384.717 6.0 1 1 33 1961.43 6416.24306 6416.307 6.0 1 1 164 2263.44 6604.91416 6604.853 6.0 1 1 24 2380.48 6677.28323 6677.282 6.0 1 1 434 2503.45 6752.8448 6752.834 6.0 1 1 331 2697.84 6871.26612 6871.289 6.0 1 1 316 2853.93 6965.39955 6965.431 6.0 1 1 56184 2962.40 7030.28488 7030.251 6.0 1 1 319 3024.48 7067.2125 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 41.873779296875 3024.479736328125 6129.31675031007 953.6135811970073 -14.67683145206604 -1.099762057003934 0.1348620941201499 -0.07609537025112139 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1626] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1626] units Angstroms features 32 42.25 5162.34995 5162.285 6.0 1 1 23 80.02 5187.65692 5187.746 6.0 1 1 31 130.19 5221.26119 5221.271 6.0 1 1 17 358.24 5373.69284 5373.494 6.0 1 1 5 429.51 5421.19738 5421.352 6.0 1 1 8 541.69 5495.8151 5495.874 6.0 1 1 43 636.58 5558.7672 5558.702 6.0 1 1 55 708.94 5606.66578 5606.733 6.0 1 1 53 834.72 5689.67204 5689.6401 6.0 1 1 8 acs: add; not Ar 910.44 5739.4801 5739.52 6.0 1 1 16 1006.15 5802.26524 5802.08 6.0 1 1 8 acs: increase 1174.22 5911.98613 5912.085 6.0 1 1 47 1199.79 5928.62433 5928.8101 6.0 1 1 20 acs: add 1221.37 5942.64394 5942.6665 6.0 1 1 7 acs: add 1308.57 5999.20037 5998.999 6.0 1 1 7 weak 1330.96 6013.68972 6013.678 6.0 1 1 6 1359.47 6032.12338 6032.127 6.0 1 1 170 1376.65 6043.21443 6043.223 6.0 1 1 67 1401.71 6059.3905 6059.373 6.0 1 1 33 1473.35 6105.52632 6105.635 6.0 1 1 19 1535.68 6145.56189 6145.441 6.0 1 1 18 1772.82 6296.88495 6296.872 6.0 1 1 13 1887.47 6369.47787 6369.575 6.0 1 1 9 1911.70 6384.76989 6384.717 6.0 1 1 33 1961.63 6416.22176 6416.307 6.0 1 1 164 2263.67 6604.92147 6604.853 6.0 1 1 24 2380.72 6677.28844 6677.282 6.0 1 1 434 2503.74 6752.87143 6752.834 6.0 1 1 331 2698.09 6871.25154 6871.289 6.0 1 1 316 2854.21 6965.39186 6965.431 6.0 1 1 56184 2962.67 7030.27469 7030.251 6.0 1 1 319 3024.77 7067.22504 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 42.24634933471679 3024.77392578125 6129.365262387129 953.5825906668922 -14.69094850033446 -1.092708651618812 0.113180804111839 -0.05233578950446942 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1631] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1631] units Angstroms features 32 42.46 5162.32088 5162.285 6.0 1 1 23 80.28 5187.6814 5187.746 6.0 1 1 31 130.43 5221.28819 5221.271 6.0 1 1 17 358.21 5373.56776 5373.494 6.0 1 1 5 429.84 5421.30648 5421.352 6.0 1 1 8 541.91 5495.83963 5495.874 6.0 1 1 43 636.82 5558.79481 5558.702 6.0 1 1 55 709.12 5606.6431 5606.733 6.0 1 1 53 834.82 5689.58417 5689.6401 6.0 1 1 8 acs: add; not Ar 910.64 5739.4622 5739.52 6.0 1 1 16 1006.40 5802.27232 5802.08 6.0 1 1 8 acs: increase 1174.55 5912.05547 5912.085 6.0 1 1 47 1200.11 5928.68224 5928.8101 6.0 1 1 20 acs: add 1221.59 5942.64039 5942.6665 6.0 1 1 7 acs: add 1308.49 5999.00953 5998.999 6.0 1 1 7 weak 1331.27 6013.75433 6013.678 6.0 1 1 6 1359.69 6032.13154 6032.127 6.0 1 1 170 1377.07 6043.35514 6043.223 6.0 1 1 67 1401.79 6059.31659 6059.373 6.0 1 1 33 1473.68 6105.62524 6105.635 6.0 1 1 19 1535.82 6145.53885 6145.441 6.0 1 1 18 1772.80 6296.78759 6296.872 6.0 1 1 13 1887.45 6369.37903 6369.575 6.0 1 1 9 1911.80 6384.74598 6384.717 6.0 1 1 33 1961.87 6416.29135 6416.307 6.0 1 1 164 2263.97 6604.99998 6604.853 6.0 1 1 24 2380.98 6677.31573 6677.282 6.0 1 1 434 2504.00 6752.87234 6752.834 6.0 1 1 331 2698.34 6871.2157 6871.289 6.0 1 1 316 2854.46 6965.36789 6965.431 6.0 1 1 56184 2962.90 7030.26336 7030.251 6.0 1 1 319 3025.01 7067.25447 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 42.46113204956055 3025.011474609375 6129.37508857443 953.5755679369668 -14.70794136445205 -1.093546060976616 0.1205286280895605 -0.01522914302786186 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1636] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1636] units Angstroms features 32 42.53 5162.31578 5162.285 6.0 1 1 23 80.43 5187.69859 5187.746 6.0 1 1 31 130.58 5221.27351 5221.271 6.0 1 1 17 358.44 5373.53392 5373.494 6.0 1 1 5 430.22 5421.36792 5421.352 6.0 1 1 8 542.10 5495.78617 5495.874 6.0 1 1 43 637.06 5558.78935 5558.702 6.0 1 1 55 709.42 5606.6863 5606.733 6.0 1 1 53 835.15 5689.66972 5689.6401 6.0 1 1 8 acs: add; not Ar 910.77 5739.41811 5739.52 6.0 1 1 16 1006.55 5802.25535 5802.08 6.0 1 1 8 acs: increase 1174.72 5912.05399 5912.085 6.0 1 1 47 1200.31 5928.70553 5928.8101 6.0 1 1 20 acs: add 1221.57 5942.5217 5942.6665 6.0 1 1 7 acs: add 1308.66 5999.01202 5998.999 6.0 1 1 7 weak 1331.30 6013.66079 6013.678 6.0 1 1 6 1359.87 6032.1341 6032.127 6.0 1 1 170 1377.23 6043.35066 6043.223 6.0 1 1 67 1402.03 6059.35118 6059.373 6.0 1 1 33 1473.89 6105.64029 6105.635 6.0 1 1 19 1536.22 6145.66817 6145.441 6.0 1 1 18 1773.10 6296.81956 6296.872 6.0 1 1 13 1887.80 6369.43544 6369.575 6.0 1 1 9 1911.98 6384.69567 6384.717 6.0 1 1 33 1962.11 6416.26993 6416.307 6.0 1 1 164 2264.12 6604.91322 6604.853 6.0 1 1 24 2381.28 6677.33055 6677.282 6.0 1 1 434 2504.26 6752.87293 6752.834 6.0 1 1 331 2698.62 6871.24833 6871.289 6.0 1 1 316 2854.75 6965.39551 6965.431 6.0 1 1 56184 2963.13 7030.24216 7030.251 6.0 1 1 319 3025.30 7067.24725 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 42.52672576904297 3025.3037109375 6129.342249207317 953.6212702006 -14.70476957779029 -1.105475554798316 0.1440388972459851 -0.05005906446302057 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1641] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1641] units Angstroms features 32 42.74 5162.31203 5162.285 6.0 1 1 23 80.65 5187.6906 5187.746 6.0 1 1 31 130.90 5221.32637 5221.271 6.0 1 1 17 358.59 5373.44907 5373.494 6.0 1 1 5 430.51 5421.38202 5421.352 6.0 1 1 8 542.35 5495.76569 5495.874 6.0 1 1 43 637.26 5558.73486 5558.702 6.0 1 1 55 709.72 5606.70046 5606.733 6.0 1 1 53 835.53 5689.74417 5689.6401 6.0 1 1 8 acs: add; not Ar 911.21 5739.53072 5739.52 6.0 1 1 16 1006.84 5802.26878 5802.08 6.0 1 1 8 acs: increase 1175.03 5912.08516 5912.085 6.0 1 1 47 1200.63 5928.74272 5928.8101 6.0 1 1 20 acs: add 1221.71 5942.44308 5942.6665 6.0 1 1 7 acs: add 1309.06 5999.0986 5998.999 6.0 1 1 7 weak 1331.31 6013.49707 6013.678 6.0 1 1 6 1360.11 6032.11819 6032.127 6.0 1 1 170 1377.43 6043.30219 6043.223 6.0 1 1 67 1402.37 6059.39779 6059.373 6.0 1 1 33 1474.13 6105.61436 6105.635 6.0 1 1 19 1536.33 6145.55831 6145.441 6.0 1 1 18 1773.37 6296.80726 6296.872 6.0 1 1 13 1888.30 6369.56048 6369.575 6.0 1 1 9 1912.44 6384.79405 6384.717 6.0 1 1 33 1962.39 6416.25917 6416.307 6.0 1 1 164 2264.35 6604.86474 6604.853 6.0 1 1 24 2381.55 6677.31405 6677.282 6.0 1 1 434 2504.52 6752.85277 6752.834 6.0 1 1 331 2698.94 6871.26451 6871.289 6.0 1 1 316 2855.02 6965.38031 6965.431 6.0 1 1 56184 2963.47 7030.26363 7030.251 6.0 1 1 319 3025.61 7067.24049 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 42.73724746704102 3025.609130859375 6129.32777188446 953.6317549275477 -14.70055562581442 -1.108847371620758 0.1490411853862638 -0.05867525322481876 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1646] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1646] units Angstroms features 32 42.94 5162.28757 5162.285 6.0 1 1 23 80.88 5187.7032 5187.746 6.0 1 1 31 131.15 5221.3595 5221.271 6.0 1 1 17 358.74 5373.4276 5373.494 6.0 1 1 5 430.72 5421.38297 5421.352 6.0 1 1 8 542.58 5495.76561 5495.874 6.0 1 1 43 637.51 5558.72551 5558.702 6.0 1 1 55 709.91 5606.63066 5606.733 6.0 1 1 53 835.97 5689.8083 5689.6401 6.0 1 1 8 acs: add; not Ar 911.53 5739.5131 5739.52 6.0 1 1 16 1007.25 5802.29357 5802.08 6.0 1 1 8 acs: increase 1175.34 5912.03504 5912.085 6.0 1 1 47 1200.88 5928.65079 5928.8101 6.0 1 1 20 acs: add 1222.52 5942.71392 5942.6665 6.0 1 1 7 acs: add 1309.41 5999.07852 5998.999 6.0 1 1 7 weak 1332.06 6013.73534 6013.678 6.0 1 1 6 1360.44 6032.08396 6032.127 6.0 1 1 170 1377.68 6043.22449 6043.223 6.0 1 1 67 1402.65 6059.33748 6059.373 6.0 1 1 33 1474.27 6105.47051 6105.635 6.0 1 1 19 1536.45 6145.41331 6145.441 6.0 1 1 18 1773.73 6296.83987 6296.872 6.0 1 1 13 1888.69 6369.62577 6369.575 6.0 1 1 9 1912.77 6384.82253 6384.717 6.0 1 1 33 1962.67 6416.26083 6416.307 6.0 1 1 164 2264.69 6604.90961 6604.853 6.0 1 1 24 2381.78 6677.28258 6677.282 6.0 1 1 434 2504.79 6752.83713 6752.834 6.0 1 1 331 2699.26 6871.25966 6871.289 6.0 1 1 316 2855.31 6965.36415 6965.431 6.0 1 1 56184 2963.79 7030.27511 7030.251 6.0 1 1 319 3025.89 7067.2455 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 42.93737030029297 3025.88671875 6129.300296935829 953.6320664231068 -14.66892210535626 -1.124108055415364 0.1351605680507491 -0.02899151629217184 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1651] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1651] units Angstroms features 32 43.15 5162.27734 5162.285 6.0 1 1 23 81.11 5187.69534 5187.746 6.0 1 1 31 131.35 5221.32715 5221.271 6.0 1 1 17 359.23 5373.58213 5373.494 6.0 1 1 5 430.91 5421.35166 5421.352 6.0 1 1 8 542.79 5495.75426 5495.874 6.0 1 1 43 637.75 5558.74788 5558.702 6.0 1 1 55 710.08 5606.61717 5606.733 6.0 1 1 53 836.11 5689.78379 5689.6401 6.0 1 1 8 acs: add; not Ar 911.51 5739.38438 5739.52 6.0 1 1 16 1007.26 5802.1921 5802.08 6.0 1 1 8 acs: increase 1175.58 5912.07366 5912.085 6.0 1 1 47 1201.21 5928.74669 5928.8101 6.0 1 1 20 acs: add 1222.58 5942.63797 5942.6665 6.0 1 1 7 acs: add 1309.77 5999.18277 5998.999 6.0 1 1 7 weak 1332.23 6013.71364 6013.678 6.0 1 1 6 1360.68 6032.1034 6032.127 6.0 1 1 170 1377.87 6043.2099 6043.223 6.0 1 1 67 1402.99 6059.41533 6059.373 6.0 1 1 33 1474.58 6105.52408 6105.635 6.0 1 1 19 1536.71 6145.42499 6145.441 6.0 1 1 18 1774.02 6296.84544 6296.872 6.0 1 1 13 1889.05 6369.66387 6369.575 6.0 1 1 9 1912.81 6384.65885 6384.717 6.0 1 1 33 1962.93 6416.23369 6416.307 6.0 1 1 164 2265.00 6604.9263 6604.853 6.0 1 1 24 2382.06 6677.28767 6677.282 6.0 1 1 434 2505.04 6752.84066 6752.834 6.0 1 1 331 2699.49 6871.27139 6871.289 6.0 1 1 316 2855.60 6965.40097 6965.431 6.0 1 1 56184 2964.03 7030.26013 7030.251 6.0 1 1 319 3026.16 7067.22912 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 43.14848327636719 3026.1611328125 6129.300029341855 953.6414807557409 -14.67613126363384 -1.10949704411482 0.1293319042048069 -0.05609110673763706 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1656] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1656] units Angstroms features 32 43.35 5162.26598 5162.285 6.0 1 1 23 81.40 5187.73099 5187.746 6.0 1 1 31 131.54 5221.28143 5221.271 6.0 1 1 17 359.56 5373.62206 5373.494 6.0 1 1 5 431.16 5421.34693 5421.352 6.0 1 1 8 543.01 5495.75189 5495.874 6.0 1 1 43 637.94 5558.73886 5558.702 6.0 1 1 55 710.39 5606.69989 5606.733 6.0 1 1 53 836.13 5689.69084 5689.6401 6.0 1 1 8 acs: add; not Ar 911.65 5739.3773 5739.52 6.0 1 1 16 1007.35 5802.15717 5802.08 6.0 1 1 8 acs: increase 1175.77 5912.10504 5912.085 6.0 1 1 47 1201.41 5928.78079 5928.8101 6.0 1 1 20 acs: add 1222.74 5942.64622 5942.6665 6.0 1 1 7 acs: add 1310.04 5999.25179 5998.999 6.0 1 0 7 weak 1332.31 6013.66235 6013.678 6.0 1 1 6 1360.90 6032.14257 6032.127 6.0 1 1 170 1378.19 6043.30976 6043.223 6.0 1 1 67 1403.20 6059.44313 6059.373 6.0 1 1 33 1474.87 6105.5948 6105.635 6.0 1 1 19 1536.95 6145.45216 6145.441 6.0 1 1 18 1774.20 6296.81012 6296.872 6.0 1 1 13 1889.36 6369.70499 6369.575 6.0 1 1 9 1912.95 6384.58635 6384.717 6.0 1 1 33 1963.24 6416.2636 6416.307 6.0 1 1 164 2265.19 6604.87869 6604.853 6.0 1 1 24 2382.34 6677.30359 6677.282 6.0 1 1 434 2505.29 6752.84361 6752.834 6.0 1 1 331 2699.73 6871.27085 6871.289 6.0 1 1 316 2855.89 6965.41677 6965.431 6.0 1 1 56184 2964.41 7030.29609 7030.251 6.0 1 1 319 3026.47 7067.18989 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 43.35208129882813 3026.46826171875 6129.308563673786 953.6520472223504 -14.7093309914808 -1.105472054987977 0.1286993655927435 -0.08462007244535367 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1661] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1661] units Angstroms features 32 43.68 5162.26618 5162.285 6.0 1 1 23 81.65 5187.73002 5187.746 6.0 1 1 31 131.84 5221.36042 5221.271 6.0 1 1 17 359.29 5373.40006 5373.494 6.0 1 1 5 431.24 5421.34013 5421.352 6.0 1 1 8 543.24 5495.81539 5495.874 6.0 1 1 43 638.19 5558.77564 5558.702 6.0 1 1 55 710.71 5606.75681 5606.733 6.0 1 1 53 836.43 5689.69476 5689.6401 6.0 1 1 8 acs: add; not Ar 912.14 5739.48093 5739.52 6.0 1 1 16 1007.78 5802.20062 5802.08 6.0 1 1 8 acs: increase 1176.01 5912.01337 5912.085 6.0 1 1 47 1201.52 5928.60524 5928.8101 6.0 1 1 20 acs: add 1223.22 5942.71083 5942.6665 6.0 1 1 7 acs: add 1310.24 5999.14414 5998.999 6.0 1 1 7 weak 1332.71 6013.6905 6013.678 6.0 1 1 6 1361.15 6032.07359 6032.127 6.0 1 1 170 1378.48 6043.26531 6043.223 6.0 1 1 67 1403.53 6059.43324 6059.373 6.0 1 1 33 1475.14 6105.56199 6105.635 6.0 1 1 19 1537.16 6145.39715 6145.441 6.0 1 1 18 1774.47 6296.8503 6296.872 6.0 1 1 13 1889.20 6369.49492 6369.575 6.0 1 1 9 1913.42 6384.78434 6384.717 6.0 1 1 33 1963.53 6416.35127 6416.307 6.0 1 1 164 2265.25 6604.82268 6604.853 6.0 1 1 24 2382.58 6677.33682 6677.282 6.0 1 1 434 2505.60 6752.8863 6752.834 6.0 1 1 331 2699.99 6871.22788 6871.289 6.0 1 1 316 2856.17 6965.37368 6965.431 6.0 1 1 56184 2964.71 7030.28912 7030.251 6.0 1 1 319 3026.79 7067.23005 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 43.67854309082032 3026.787841796875 6129.359614402221 953.617915334504 -14.70704643822163 -1.121565642801943 0.09554848007044247 -0.01441435756164078 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1666] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1666] units Angstroms features 32 43.98 5162.28689 5162.285 6.0 1 1 23 81.83 5187.66741 5187.746 6.0 1 1 31 132.16 5221.39564 5221.271 6.0 1 1 17 359.61 5373.42623 5373.494 6.0 1 1 5 431.48 5421.32116 5421.352 6.0 1 1 8 543.53 5495.8263 5495.874 6.0 1 1 43 638.50 5558.80819 5558.702 6.0 1 1 55 710.91 5606.71654 5606.733 6.0 1 1 53 836.78 5689.75256 5689.6401 6.0 1 1 8 acs: add; not Ar 912.40 5739.4857 5739.52 6.0 1 1 16 1007.88 5802.10146 5802.08 6.0 1 1 8 acs: increase 1176.28 5912.03232 5912.085 6.0 1 1 47 1201.90 5928.69715 5928.8101 6.0 1 1 20 acs: add 1223.03 5942.43203 5942.6665 6.0 1 1 7 acs: add 1310.61 5999.22861 5998.999 6.0 1 1 7 weak 1332.91 6013.66528 6013.678 6.0 1 1 6 1361.42 6032.09679 6032.127 6.0 1 1 170 1378.76 6043.29365 6043.223 6.0 1 1 67 1403.88 6059.50912 6059.373 6.0 1 1 33 1475.36 6105.55345 6105.635 6.0 1 1 19 1537.52 6145.47875 6145.441 6.0 1 1 18 1774.89 6296.96551 6296.872 6.0 1 1 13 1889.21 6369.35291 6369.575 6.0 1 1 9 1913.59 6384.73867 6384.717 6.0 1 1 33 1963.74 6416.33627 6416.307 6.0 1 1 164 2265.52 6604.83208 6604.853 6.0 1 1 24 2382.82 6677.3271 6677.282 6.0 1 1 434 2505.89 6752.90127 6752.834 6.0 1 1 331 2700.31 6871.2575 6871.289 6.0 1 1 316 2856.46 6965.37746 6965.431 6.0 1 1 56184 2964.94 7030.25986 7030.251 6.0 1 1 319 3027.09 7067.23982 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 43.97660064697265 3027.086181640625 6129.382799264527 953.616161059908 -14.71954824816871 -1.124156353148676 0.1001026484902267 -0.01553796551943613 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1671] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1671] units Angstroms features 32 44.14 5162.29988 5162.285 6.0 1 1 23 82.05 5187.68998 5187.746 6.0 1 1 31 132.25 5221.30125 5221.271 6.0 1 1 17 360.12 5373.56229 5373.494 6.0 1 1 5 431.80 5421.32798 5421.352 6.0 1 1 8 543.80 5495.80668 5495.874 6.0 1 1 43 638.74 5558.77946 5558.702 6.0 1 1 55 711.16 5606.70748 5606.733 6.0 1 1 53 836.82 5689.62882 5689.6401 6.0 1 1 8 acs: add; not Ar 912.66 5739.51557 5739.52 6.0 1 1 16 1008.04 5802.07129 5802.08 6.0 1 1 8 acs: increase 1176.54 5912.07399 5912.085 6.0 1 1 47 1202.18 5928.75506 5928.8101 6.0 1 1 20 acs: add 1223.36 5942.51601 5942.6665 6.0 1 1 7 acs: add 1310.75 5999.19608 5998.999 6.0 1 1 7 weak 1332.95 6013.55989 6013.678 6.0 1 1 6 1361.65 6032.1116 6032.127 6.0 1 1 170 1378.99 6043.30959 6043.223 6.0 1 1 67 1404.11 6059.52019 6059.373 6.0 1 1 33 1475.64 6105.58886 6105.635 6.0 1 1 19 1537.81 6145.51695 6145.441 6.0 1 1 18 1775.10 6296.92334 6296.872 6.0 1 1 13 1889.59 6369.39451 6369.575 6.0 1 1 9 1913.72 6384.6229 6384.717 6.0 1 1 33 1964.09 6416.35205 6416.307 6.0 1 1 164 2266.00 6604.90712 6604.853 6.0 1 1 24 2383.13 6677.29791 6677.282 6.0 1 1 434 2506.19 6752.87133 6752.834 6.0 1 1 331 2700.67 6871.28096 6871.289 6.0 1 1 316 2856.77 6965.38294 6965.431 6.0 1 1 56184 2965.25 7030.26115 7030.251 6.0 1 1 319 3027.39 7067.23058 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 44.13955688476562 3027.392333984375 6129.355526712627 953.6286737184231 -14.71976854621664 -1.119176818644515 0.1294697654330747 -0.04414691715411833 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1676] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1676] units Angstroms features 32 44.35 5162.32315 5162.285 6.0 1 1 23 82.27 5187.72547 5187.746 6.0 1 1 31 132.41 5221.2936 5221.271 6.0 1 1 17 360.02 5373.37873 5373.494 6.0 1 1 5 431.97 5421.32451 5421.352 6.0 1 1 8 544.07 5495.86999 5495.874 6.0 1 1 43 638.94 5558.79385 5558.702 6.0 1 1 55 711.44 5606.76627 5606.733 6.0 1 1 53 836.93 5689.56433 5689.6401 6.0 1 1 8 acs: add; not Ar 913.02 5739.60811 5739.52 6.0 1 1 16 1008.51 5802.22581 5802.08 6.0 1 1 8 acs: increase 1176.75 5912.02661 5912.085 6.0 1 1 47 1202.38 5928.69384 5928.8101 6.0 1 1 20 acs: add 1223.82 5942.62838 5942.6665 6.0 1 1 7 acs: add 1310.96 5999.12471 5998.999 6.0 1 1 7 weak 1333.33 6013.59611 6013.678 6.0 1 1 6 1361.94 6032.08719 6032.127 6.0 1 1 170 1379.23 6043.2533 6043.223 6.0 1 1 67 1404.30 6059.42073 6059.373 6.0 1 1 33 1475.94 6105.54654 6105.635 6.0 1 1 19 1538.08 6145.44825 6145.441 6.0 1 1 18 1775.29 6296.76963 6296.872 6.0 1 1 13 1890.64 6369.77768 6369.575 6.0 1 1 9 1914.22 6384.65617 6384.717 6.0 1 1 33 1964.41 6416.2656 6416.307 6.0 1 1 164 2266.60 6604.9974 6604.853 6.0 1 1 24 2383.42 6677.20563 6677.282 6.0 1 1 434 2506.54 6752.83514 6752.834 6.0 1 1 331 2701.00 6871.26013 6871.289 6.0 1 1 316 2857.10 6965.38577 6965.431 6.0 1 1 56184 2965.57 7030.27518 7030.251 6.0 1 1 319 3027.69 7067.23588 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 44.34530258178711 3027.6943359375 6129.330823203849 953.5904834086469 -14.67287239113929 -1.079710768778628 0.1215655565929573 -0.0544081123870386 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1681] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1681] units Angstroms features 32 44.57 5162.29782 5162.285 6.0 1 1 23 82.58 5187.75744 5187.746 6.0 1 1 31 132.63 5221.27002 5221.271 6.0 1 1 17 360.29 5373.39218 5373.494 6.0 1 1 5 432.30 5421.37291 5421.352 6.0 1 1 8 544.32 5495.85504 5495.874 6.0 1 1 43 639.23 5558.79945 5558.702 6.0 1 1 55 711.71 5606.75169 5606.733 6.0 1 1 53 837.25 5689.57633 5689.6401 6.0 1 1 8 acs: add; not Ar 913.33 5739.60586 5739.52 6.0 1 1 16 1008.71 5802.14561 5802.08 6.0 1 1 8 acs: increase 1176.98 5911.9715 5912.085 6.0 1 1 47 1202.68 5928.6808 5928.8101 6.0 1 1 20 acs: add 1224.01 5942.54269 5942.6665 6.0 1 1 7 acs: add 1311.25 5999.1036 5998.999 6.0 1 1 7 weak 1334.08 6013.87732 6013.678 6.0 1 1 6 1362.21 6032.05485 6032.127 6.0 1 1 170 1379.55 6043.25684 6043.223 6.0 1 1 67 1404.65 6059.44924 6059.373 6.0 1 1 33 1476.22 6105.53484 6105.635 6.0 1 1 19 1538.40 6145.45621 6145.441 6.0 1 1 18 1775.55 6296.75823 6296.872 6.0 1 1 13 1890.77 6369.68983 6369.575 6.0 1 1 9 1914.61 6384.73707 6384.717 6.0 1 1 33 1964.64 6416.24645 6416.307 6.0 1 1 164 2266.74 6604.93573 6604.853 6.0 1 1 24 2383.69 6677.22287 6677.282 6.0 1 1 434 2506.79 6752.83696 6752.834 6.0 1 1 331 2701.33 6871.30181 6871.289 6.0 1 1 316 2857.41 6965.39773 6965.431 6.0 1 1 56184 2965.83 7030.24457 7030.251 6.0 1 1 319 3028.02 7067.24021 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 44.57331848144531 3028.01513671875 6129.328325368116 953.6136786801454 -14.6698660228964 -1.097428936801554 0.1105514840930306 -0.0450553518300404 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1686] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1686] units Angstroms features 32 44.84 5162.29605 5162.285 6.0 1 1 23 82.78 5187.69961 5187.746 6.0 1 1 31 132.92 5221.26124 5221.271 6.0 1 1 17 361.01 5373.63463 5373.494 6.0 1 1 5 432.63 5421.35625 5421.352 6.0 1 1 8 544.59 5495.80212 5495.874 6.0 1 1 43 639.51 5558.75289 5558.702 6.0 1 1 55 711.93 5606.67995 5606.733 6.0 1 1 53 837.55 5689.56359 5689.6401 6.0 1 1 8 acs: add; not Ar 913.52 5739.53284 5739.52 6.0 1 1 16 1008.87 5802.06832 5802.08 6.0 1 1 8 acs: increase 1177.28 5912.00256 5912.085 6.0 1 1 47 1202.98 5928.71741 5928.8101 6.0 1 1 20 acs: add 1224.38 5942.62602 5942.6665 6.0 1 1 7 acs: add 1311.48 5999.10489 5998.999 6.0 1 1 7 weak 1334.19 6013.80202 6013.678 6.0 1 1 6 1362.49 6032.0952 6032.127 6.0 1 1 170 1379.92 6043.34932 6043.223 6.0 1 1 67 1404.79 6059.39943 6059.373 6.0 1 1 33 1476.61 6105.64724 6105.635 6.0 1 1 19 1538.62 6145.47169 6145.441 6.0 1 1 18 1775.79 6296.79178 6296.872 6.0 1 1 13 1890.80 6369.59877 6369.575 6.0 1 1 9 1914.67 6384.65783 6384.717 6.0 1 1 33 1964.84 6416.25671 6416.307 6.0 1 1 164 2266.80 6604.85345 6604.853 6.0 1 1 24 2383.96 6677.2592 6677.282 6.0 1 1 434 2507.11 6752.89054 6752.834 6.0 1 1 331 2701.65 6871.33715 6871.289 6.0 1 1 316 2857.69 6965.3941 6965.431 6.0 1 1 56184 2966.10 7030.21981 7030.251 6.0 1 1 319 3028.34 7067.24113 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 44.84233093261719 3028.344482421875 6129.343212957563 953.6505330644408 -14.70127442442447 -1.128920619782349 0.1266469603666861 -0.04907224926712367 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1691] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1691] units Angstroms features 32 45.14 5162.31261 5162.285 6.0 1 1 23 83.03 5187.68749 5187.746 6.0 1 1 31 133.21 5221.26909 5221.271 6.0 1 1 17 361.23 5373.61011 5373.494 6.0 1 1 5 432.81 5421.30953 5421.352 6.0 1 1 8 544.87 5495.83356 5495.874 6.0 1 1 43 639.78 5558.79038 5558.702 6.0 1 1 55 712.13 5606.66951 5606.733 6.0 1 1 53 837.78 5689.58502 5689.6401 6.0 1 1 8 acs: add; not Ar 913.76 5739.5575 5739.52 6.0 1 1 16 1009.05 5802.0582 5802.08 6.0 1 1 8 acs: increase 1177.58 5912.07314 5912.085 6.0 1 1 47 1203.19 5928.72592 5928.8101 6.0 1 1 20 acs: add 1224.31 5942.45195 5942.6665 6.0 1 1 7 acs: add 1311.70 5999.12214 5998.999 6.0 1 1 7 weak 1334.37 6013.78709 6013.678 6.0 1 1 6 1362.77 6032.14615 6032.127 6.0 1 1 170 1380.03 6043.29287 6043.223 6.0 1 1 67 1405.01 6059.40687 6059.373 6.0 1 1 33 1476.76 6105.61317 6105.635 6.0 1 1 19 1539.04 6145.60334 6145.441 6.0 1 1 18 1776.09 6296.82966 6296.872 6.0 1 1 13 1890.93 6369.51468 6369.575 6.0 1 1 9 1914.81 6384.58103 6384.717 6.0 1 1 33 1965.14 6416.27594 6416.307 6.0 1 1 164 2267.27 6604.95101 6604.853 6.0 1 1 24 2384.29 6677.26487 6677.282 6.0 1 1 434 2507.42 6752.88241 6752.834 6.0 1 1 331 2701.90 6871.28544 6871.289 6.0 1 1 316 2858.01 6965.38206 6965.431 6.0 1 1 56184 2966.53 7030.26853 7030.251 6.0 1 1 319 3028.66 7067.22241 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 45.13544845581055 3028.66357421875 6129.364222573865 953.6247405058432 -14.73062570059305 -1.114713277997617 0.1339173982806472 -0.05512787662090917 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1696] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1696] units Angstroms features 32 45.40 5162.32756 5162.285 6.0 1 1 23 83.28 5187.69348 5187.746 6.0 1 1 31 133.43 5221.26571 5221.271 6.0 1 1 17 361.29 5373.50508 5373.494 6.0 1 1 5 433.12 5421.36601 5421.352 6.0 1 1 8 545.09 5495.8176 5495.874 6.0 1 1 43 640.08 5558.81768 5558.702 6.0 1 1 55 712.43 5606.69565 5606.733 6.0 1 1 53 838.27 5689.71616 5689.6401 6.0 1 1 8 acs: add; not Ar 913.96 5739.49683 5739.52 6.0 1 1 16 1009.22 5801.96855 5802.08 6.0 1 1 8 acs: increase 1177.85 5912.04228 5912.085 6.0 1 1 47 1203.48 5928.71264 5928.8101 6.0 1 1 20 acs: add 1224.53 5942.38831 5942.6665 6.0 1 1 7 acs: add 1312.21 5999.24243 5998.999 6.0 1 1 7 weak 1334.95 6013.95853 6013.678 6.0 1 1 6 1363.04 6032.11142 6032.127 6.0 1 1 170 1380.19 6043.19204 6043.223 6.0 1 1 67 1405.29 6059.38439 6059.373 6.0 1 1 33 1477.00 6105.56056 6105.635 6.0 1 1 19 1539.47 6145.67701 6145.441 6.0 1 1 18 1776.28 6296.75559 6296.872 6.0 1 1 13 1891.20 6369.49759 6369.575 6.0 1 1 9 1915.15 6384.60695 6384.717 6.0 1 1 33 1965.42 6416.272 6416.307 6.0 1 1 164 2267.67 6605.02057 6604.853 6.0 1 1 24 2384.63 6677.29275 6677.282 6.0 1 1 434 2507.64 6752.83039 6752.834 6.0 1 1 331 2702.18 6871.25876 6871.289 6.0 1 1 316 2858.34 6965.38111 6965.431 6.0 1 1 56184 2966.91 7030.29483 7030.251 6.0 1 1 319 3028.98 7067.21326 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 45.40489578247071 3028.9794921875 6129.368939322359 953.6076798966363 -14.72228549377451 -1.121238244227285 0.1237549221368219 -0.04359126841727884 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1701] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1701] units Angstroms features 32 45.59 5162.33443 5162.285 6.0 1 1 23 83.45 5187.68163 5187.746 6.0 1 1 31 133.63 5221.25891 5221.271 6.0 1 1 17 361.54 5373.50271 5373.494 6.0 1 1 5 433.48 5421.43356 5421.352 6.0 1 1 8 545.36 5495.82035 5495.874 6.0 1 1 43 640.27 5558.767 5558.702 6.0 1 1 55 712.71 5606.69941 5606.733 6.0 1 1 53 838.43 5689.65052 5689.6401 6.0 1 1 8 acs: add; not Ar 914.11 5739.41948 5739.52 6.0 1 1 16 1009.58 5802.03281 5802.08 6.0 1 1 8 acs: increase 1178.04 5911.99003 5912.085 6.0 1 1 47 1203.75 5928.71399 5928.8101 6.0 1 1 20 acs: add 1225.37 5942.75939 5942.6665 6.0 1 1 7 acs: add 1312.27 5999.10579 5998.999 6.0 1 1 7 weak 1335.18 6013.92863 6013.678 6.0 1 1 6 1363.29 6032.10199 6032.127 6.0 1 1 170 1380.52 6043.2235 6043.223 6.0 1 1 67 1405.45 6059.30966 6059.373 6.0 1 1 33 1477.40 6105.64042 6105.635 6.0 1 1 19 1539.52 6145.52892 6145.441 6.0 1 1 18 1776.46 6296.68307 6296.872 6.0 1 1 13 1891.76 6369.65976 6369.575 6.0 1 1 9 1915.44 6384.60374 6384.717 6.0 1 1 33 1965.66 6416.23133 6416.307 6.0 1 1 164 2267.93 6604.99048 6604.853 6.0 1 1 24 2384.95 6677.30972 6677.282 6.0 1 1 434 2507.98 6752.85724 6752.834 6.0 1 1 331 2702.42 6871.22976 6871.289 6.0 1 1 316 2858.65 6965.39396 6965.431 6.0 1 1 56184 2967.16 7030.26913 7030.251 6.0 1 1 319 3029.31 7067.2324 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 45.59265899658203 3029.31396484375 6129.362892883034 953.6282790933933 -14.70901985977754 -1.127183892471261 0.1295418233295099 -0.0521109322105608 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1706] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1706] units Angstroms features 32 45.82 5162.33121 5162.285 6.0 1 1 23 83.71 5187.70117 5187.746 6.0 1 1 31 133.88 5221.2794 5221.271 6.0 1 1 17 361.61 5373.40869 5373.494 6.0 1 1 5 433.65 5421.40846 5421.352 6.0 1 1 8 545.59 5495.84429 5495.874 6.0 1 1 43 640.50 5558.79139 5558.702 6.0 1 1 55 712.94 5606.72024 5606.733 6.0 1 1 53 838.64 5689.65595 5689.6401 6.0 1 1 8 acs: add; not Ar 914.32 5739.42835 5739.52 6.0 1 1 16 1010.02 5802.1836 5802.08 6.0 1 1 8 acs: increase 1178.35 5912.04329 5912.085 6.0 1 1 47 1204.06 5928.7681 5928.8101 6.0 1 1 20 acs: add 1225.31 5942.57357 5942.6665 6.0 1 1 7 acs: add 1312.50 5999.10376 5998.999 6.0 1 1 7 weak 1335.08 6013.70923 6013.678 6.0 1 1 6 1363.53 6032.09707 6032.127 6.0 1 1 170 1380.82 6043.26191 6043.223 6.0 1 1 67 1405.73 6059.33005 6059.373 6.0 1 1 33 1477.77 6105.70937 6105.635 6.0 1 1 19 1539.66 6145.44905 6145.441 6.0 1 1 18 1776.87 6296.76142 6296.872 6.0 1 1 13 1892.09 6369.68172 6369.575 6.0 1 1 9 1915.88 6384.68628 6384.717 6.0 1 1 33 1965.92 6416.19922 6416.307 6.0 1 1 164 2268.19 6604.95533 6604.853 6.0 1 1 24 2385.24 6677.2886 6677.282 6.0 1 1 434 2508.31 6752.86682 6752.834 6.0 1 1 331 2702.72 6871.22462 6871.289 6.0 1 1 316 2858.96 6965.39154 6965.431 6.0 1 1 56184 2967.50 7030.28246 7030.251 6.0 1 1 319 3029.63 7067.22757 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 45.82188415527344 3029.63232421875 6129.368415389966 953.6160790031136 -14.71437553579277 -1.111265362224525 0.1253499280272134 -0.05663806303501675 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1711] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1711] units Angstroms features 32 46.06 5162.29901 5162.285 6.0 1 1 23 83.99 5187.6912 5187.746 6.0 1 1 31 134.26 5221.34064 5221.271 6.0 1 1 17 361.94 5373.4458 5373.494 6.0 1 1 5 433.84 5421.35633 5421.352 6.0 1 1 8 545.83 5495.82104 5495.874 6.0 1 1 43 640.73 5558.7651 5558.702 6.0 1 1 55 713.22 5606.73143 5606.733 6.0 1 1 53 838.90 5689.64648 5689.6401 6.0 1 1 8 acs: add; not Ar 914.64 5739.45953 5739.52 6.0 1 1 16 1010.38 5802.23925 5802.08 6.0 1 1 8 acs: increase 1178.73 5912.10898 5912.085 6.0 1 1 47 1204.29 5928.7292 5928.8101 6.0 1 1 20 acs: add 1225.51 5942.51525 5942.6665 6.0 1 1 7 acs: add 1312.92 5999.18547 5998.999 6.0 1 1 7 weak 1335.22 6013.61216 6013.678 6.0 1 1 6 1363.85 6032.11447 6032.127 6.0 1 1 170 1381.11 6043.25539 6043.223 6.0 1 1 67 1406.07 6059.35962 6059.373 6.0 1 1 33 1477.92 6105.61475 6105.635 6.0 1 1 19 1539.98 6145.45733 6145.441 6.0 1 1 18 1777.33 6296.85239 6296.872 6.0 1 1 13 1892.30 6369.61092 6369.575 6.0 1 1 9 1916.17 6384.66857 6384.717 6.0 1 1 33 1966.35 6416.267 6416.307 6.0 1 1 164 2268.50 6604.9462 6604.853 6.0 1 1 24 2385.54 6677.27233 6677.282 6.0 1 1 434 2508.61 6752.85466 6752.834 6.0 1 1 331 2703.06 6871.24197 6871.289 6.0 1 1 316 2859.28 6965.39729 6965.431 6.0 1 1 56184 2967.81 7030.28035 7030.251 6.0 1 1 319 3029.94 7067.22358 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 46.06343841552734 3029.94189453125 6129.35371696151 953.6242298001402 -14.71412039318151 -1.101649275490949 0.1216987302694301 -0.06029523949136208 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1716] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1716] units Angstroms features 32 46.29 5162.28634 5162.285 6.0 1 1 23 84.22 5187.68014 5187.746 6.0 1 1 31 134.51 5221.34391 5221.271 6.0 1 1 17 362.39 5373.56404 5373.494 6.0 1 1 5 434.09 5421.33278 5421.352 6.0 1 1 8 546.05 5495.77404 5495.874 6.0 1 1 43 640.94 5558.70341 5558.702 6.0 1 1 55 713.51 5606.71425 5606.733 6.0 1 1 53 839.16 5689.61023 5689.6401 6.0 1 1 8 acs: add; not Ar 914.99 5739.4803 5739.52 6.0 1 1 16 1010.92 5802.38329 5802.08 6.0 1 1 8 acs: increase 1178.92 5912.03425 5912.085 6.0 1 1 47 1204.42 5928.6163 5928.8101 6.0 1 1 20 acs: add 1225.77 5942.48791 5942.6665 6.0 1 1 7 acs: add 1313.34 5999.26286 5998.999 6.0 1 1 7 weak 1335.81 6013.80128 6013.678 6.0 1 1 6 1364.12 6032.10112 6032.127 6.0 1 1 170 1381.39 6043.25149 6043.223 6.0 1 1 67 1406.33 6059.34373 6059.373 6.0 1 1 33 1478.05 6105.52272 6105.635 6.0 1 1 19 1540.28 6145.47464 6145.441 6.0 1 1 18 1777.36 6296.71663 6296.872 6.0 1 1 13 1892.60 6369.64957 6369.575 6.0 1 1 9 1916.55 6384.76199 6384.717 6.0 1 1 33 1966.63 6416.30243 6416.307 6.0 1 1 164 2268.57 6604.84797 6604.853 6.0 1 1 24 2385.79 6677.28359 6677.282 6.0 1 1 434 2508.92 6752.88828 6752.834 6.0 1 1 331 2703.35 6871.24319 6871.289 6.0 1 1 316 2859.61 6965.40868 6965.431 6.0 1 1 56184 2968.10 7030.26963 7030.251 6.0 1 1 319 3030.25 7067.22271 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 46.29119110107422 3030.251953125 6129.348837544966 953.6448912454078 -14.7167975094462 -1.127132454447558 0.1224846664860172 -0.04957474013408465 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1721] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1721] units Angstroms features 32 46.57 5162.29434 5162.285 6.0 1 1 23 84.48 5187.68689 5187.746 6.0 1 1 31 134.77 5221.35137 5221.271 6.0 1 1 17 362.53 5373.50542 5373.494 6.0 1 1 5 434.26 5421.29522 5421.352 6.0 1 1 8 546.31 5495.79448 5495.874 6.0 1 1 43 641.23 5558.73652 5558.702 6.0 1 1 55 713.78 5606.74422 5606.733 6.0 1 1 53 839.49 5689.67689 5689.6401 6.0 1 1 8 acs: add; not Ar 915.22 5739.47793 5739.52 6.0 1 1 16 1011.02 5802.30477 5802.08 6.0 1 1 8 acs: increase 1179.14 5912.03368 5912.085 6.0 1 1 47 1204.88 5928.77564 5928.8101 6.0 1 1 20 acs: add 1226.10 5942.56672 5942.6665 6.0 1 1 7 acs: add 1313.32 5999.12089 5998.999 6.0 1 1 7 weak 1335.47 6013.45417 6013.678 6.0 1 1 6 1364.42 6032.16316 6032.127 6.0 1 1 170 1381.72 6043.33661 6043.223 6.0 1 1 67 1406.54 6059.352 6059.373 6.0 1 1 33 1478.25 6105.52805 6105.635 6.0 1 1 19 1540.52 6145.50688 6145.441 6.0 1 1 18 1777.78 6296.86711 6296.872 6.0 1 1 13 1892.71 6369.60148 6369.575 6.0 1 1 9 1916.71 6384.74614 6384.717 6.0 1 1 33 1966.81 6416.29456 6416.307 6.0 1 1 164 2268.73 6604.80399 6604.853 6.0 1 1 24 2386.07 6677.29275 6677.282 6.0 1 1 434 2509.27 6752.92897 6752.834 6.0 1 1 331 2703.64 6871.22297 6871.289 6.0 1 1 316 2859.93 6965.39624 6965.431 6.0 1 1 56184 2968.45 7030.27698 7030.251 6.0 1 1 319 3030.58 7067.22664 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 46.56826400756836 3030.57666015625 6129.378862702897 953.6337246111401 -14.74993785650353 -1.130574285662234 0.131565003038393 -0.03700350087581579 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1726] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1726] units Angstroms features 32 46.81 5162.32405 5162.285 6.0 1 1 23 84.72 5187.70293 5187.746 6.0 1 1 31 134.90 5221.28777 5221.271 6.0 1 1 17 362.77 5373.49385 5373.494 6.0 1 1 5 434.53 5421.29739 5421.352 6.0 1 1 8 546.65 5495.83585 5495.874 6.0 1 1 43 641.55 5558.76459 5558.702 6.0 1 1 55 714.06 5606.73974 5606.733 6.0 1 1 53 839.72 5689.64251 5689.6401 6.0 1 1 8 acs: add; not Ar 915.60 5739.54119 5739.52 6.0 1 1 16 1011.07 5802.14766 5802.08 6.0 1 1 8 acs: increase 1179.48 5912.06394 5912.085 6.0 1 1 47 1205.29 5928.84778 5928.8101 6.0 1 1 20 acs: add 1226.46 5942.60418 5942.6665 6.0 1 1 7 acs: add 1313.46 5999.01393 5998.999 6.0 1 1 7 weak 1335.91 6013.54004 6013.678 6.0 1 1 6 1364.71 6032.15685 6032.127 6.0 1 1 170 1382.01 6043.32582 6043.223 6.0 1 1 67 1406.86 6059.35417 6059.373 6.0 1 1 33 1478.60 6105.54656 6105.635 6.0 1 1 19 1540.81 6145.49054 6145.441 6.0 1 1 18 1778.09 6296.8443 6296.872 6.0 1 1 13 1893.02 6369.57792 6369.575 6.0 1 1 9 1917.03 6384.72342 6384.717 6.0 1 1 33 1967.22 6416.32618 6416.307 6.0 1 1 164 2269.24 6604.87682 6604.853 6.0 1 1 24 2386.43 6677.27709 6677.282 6.0 1 1 434 2509.56 6752.86499 6752.834 6.0 1 1 331 2704.10 6871.26771 6871.289 6.0 1 1 316 2860.26 6965.37842 6965.431 6.0 1 1 56184 2968.78 7030.26854 7030.251 6.0 1 1 319 3030.92 7067.23697 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 46.80939483642578 3030.92138671875 6129.367400786147 953.6193583136775 -14.73148953131763 -1.123175702942635 0.1445964999842022 -0.03972158207106349 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1731] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1731] units Angstroms features 32 47.05 5162.33128 5162.285 6.0 1 1 23 84.94 5187.68942 5187.746 6.0 1 1 31 135.12 5221.26184 5221.271 6.0 1 1 17 363.20 5373.58373 5373.494 6.0 1 1 5 434.81 5421.28889 5421.352 6.0 1 1 8 546.92 5495.81695 5495.874 6.0 1 1 43 641.88 5558.78827 5558.702 6.0 1 1 55 714.33 5606.71875 5606.733 6.0 1 1 53 839.86 5689.53076 5689.6401 6.0 1 1 8 acs: add; not Ar 915.86 5739.51086 5739.52 6.0 1 1 16 1011.57 5802.27019 5802.08 6.0 1 1 8 acs: increase 1179.76 5912.04098 5912.085 6.0 1 1 47 1205.44 5928.74152 5928.8101 6.0 1 1 20 acs: add 1226.95 5942.72021 5942.6665 6.0 1 1 7 acs: add 1313.92 5999.10867 5998.999 6.0 1 1 7 weak 1336.25 6013.5495 6013.678 6.0 1 1 6 1364.95 6032.09887 6032.127 6.0 1 1 170 1382.28 6043.29192 6043.223 6.0 1 1 67 1407.04 6059.26527 6059.373 6.0 1 1 33 1478.92 6105.54516 6105.635 6.0 1 1 19 1541.27 6145.57474 6145.441 6.0 1 1 18 1778.32 6296.77685 6296.872 6.0 1 1 13 1893.51 6369.67103 6369.575 6.0 1 1 9 1917.50 6384.80353 6384.717 6.0 1 1 33 1967.51 6416.29604 6416.307 6.0 1 1 164 2269.29 6604.71608 6604.853 6.0 1 1 24 2386.79 6677.31269 6677.282 6.0 1 1 434 2509.85 6752.8678 6752.834 6.0 1 1 331 2704.45 6871.3099 6871.289 6.0 1 1 316 2860.59 6965.39887 6965.431 6.0 1 1 56184 2969.12 7030.27535 7030.251 6.0 1 1 319 3031.24 7067.20779 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 47.04736328125 3031.23583984375 6129.352203279548 953.6267298068509 -14.71917345412844 -1.136480153759352 0.136503738490343 -0.05199627914913492 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1736] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1736] units Angstroms features 32 47.33 5162.33338 5162.285 6.0 1 1 23 85.22 5187.6946 5187.746 6.0 1 1 31 135.41 5221.28308 5221.271 6.0 1 1 17 363.23 5373.45354 5373.494 6.0 1 1 5 435.12 5421.34364 5421.352 6.0 1 1 8 547.13 5495.80906 5495.874 6.0 1 1 43 642.13 5558.80839 5558.702 6.0 1 1 55 714.57 5606.73142 5606.733 6.0 1 1 53 840.38 5689.72578 5689.6401 6.0 1 1 8 acs: add; not Ar 916.12 5739.53593 5739.52 6.0 1 1 16 1011.59 5802.13394 5802.08 6.0 1 1 8 acs: increase 1179.97 5912.02238 5912.085 6.0 1 1 47 1205.50 5928.62534 5928.8101 6.0 1 1 20 acs: add 1227.13 5942.67427 5942.6665 6.0 1 1 7 acs: add 1314.04 5999.02108 5998.999 6.0 1 1 7 weak 1336.33 6013.44056 6013.678 6.0 1 1 6 1365.27 6032.14256 6032.127 6.0 1 1 170 1382.65 6043.36522 6043.223 6.0 1 1 67 1407.37 6059.31154 6059.373 6.0 1 1 33 1479.39 6105.67593 6105.635 6.0 1 1 19 1541.64 6145.6401 6145.441 6.0 1 1 18 1778.70 6296.84571 6296.872 6.0 1 1 13 1893.76 6369.65478 6369.575 6.0 1 1 9 1917.68 6384.74143 6384.717 6.0 1 1 33 1967.71 6416.24759 6416.307 6.0 1 1 164 2269.56 6604.70522 6604.853 6.0 1 1 24 2387.10 6677.32396 6677.282 6.0 1 1 434 2510.18 6752.88828 6752.834 6.0 1 1 331 2704.74 6871.29931 6871.289 6.0 1 1 316 2860.93 6965.40911 6965.431 6.0 1 1 56184 2969.44 7030.2679 7030.251 6.0 1 1 319 3031.57 7067.20867 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 47.33343505859375 3031.57275390625 6129.375975417936 953.6159987777033 -14.7335295501646 -1.126560434957106 0.1285769935837197 -0.05179166188862052 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1741] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1741] units Angstroms features 32 47.56 5162.30736 5162.285 6.0 1 1 23 85.52 5187.71291 5187.746 6.0 1 1 31 135.66 5221.2672 5221.271 6.0 1 1 17 363.65 5373.55288 5373.494 6.0 1 1 5 435.33 5421.30838 5421.352 6.0 1 1 8 547.40 5495.81752 5495.874 6.0 1 1 43 642.38 5558.80997 5558.702 6.0 1 1 55 714.77 5606.70121 5606.733 6.0 1 1 53 840.52 5689.66166 5689.6401 6.0 1 1 8 acs: add; not Ar 916.37 5739.54034 5739.52 6.0 1 1 16 1011.75 5802.07483 5802.08 6.0 1 1 8 acs: increase 1180.33 5912.08885 5912.085 6.0 1 1 47 1205.75 5928.61577 5928.8101 6.0 1 1 20 acs: add 1227.11 5942.49166 5942.6665 6.0 1 1 7 acs: add 1314.37 5999.05902 5998.999 6.0 1 1 7 weak 1337.07 6013.73856 6013.678 6.0 1 1 6 1365.59 6032.1649 6032.127 6.0 1 1 170 1382.94 6043.3691 6043.223 6.0 1 1 67 1407.68 6059.32669 6059.373 6.0 1 1 33 1479.62 6105.63466 6105.635 6.0 1 1 19 1541.94 6145.63667 6145.441 6.0 1 1 18 1778.95 6296.79124 6296.872 6.0 1 1 13 1893.99 6369.58681 6369.575 6.0 1 1 9 1917.88 6384.65608 6384.717 6.0 1 1 33 1968.04 6416.23992 6416.307 6.0 1 1 164 2270.15 6604.86193 6604.853 6.0 1 1 24 2387.41 6677.31588 6677.282 6.0 1 1 434 2510.48 6752.87776 6752.834 6.0 1 1 331 2704.97 6871.25159 6871.289 6.0 1 1 316 2861.26 6965.41456 6965.431 6.0 1 1 56184 2969.82 7030.28976 7030.251 6.0 1 1 319 3031.93 7067.19806 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 47.56443786621094 3031.929931640625 6129.372645881504 953.6281479263355 -14.73953620871938 -1.118658004987641 0.119603320566496 -0.06413928442062365 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1746] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1746] units Angstroms features 32 47.92 5162.31917 5162.285 6.0 1 1 23 85.81 5187.69604 5187.746 6.0 1 1 31 135.94 5221.25614 5221.271 6.0 1 1 17 364.05 5373.64802 5373.494 6.0 1 1 5 435.50 5421.24952 5421.352 6.0 1 1 8 547.71 5495.84524 5495.874 6.0 1 1 43 642.61 5558.77085 5558.702 6.0 1 1 55 714.96 5606.62977 5606.733 6.0 1 1 53 840.76 5689.6098 5689.6401 6.0 1 1 8 acs: add; not Ar 916.68 5739.53066 5739.52 6.0 1 1 16 1012.30 5802.22376 5802.08 6.0 1 1 8 acs: increase 1180.60 5912.04813 5912.085 6.0 1 1 47 1206.17 5928.67411 5928.8101 6.0 1 1 20 acs: add 1227.55 5942.56593 5942.6665 6.0 1 1 7 acs: add 1314.91 5999.19526 5998.999 6.0 1 1 7 weak 1337.33 6013.70302 6013.678 6.0 1 1 6 1365.88 6032.1518 6032.127 6.0 1 1 170 1383.23 6043.35369 6043.223 6.0 1 1 67 1407.85 6059.23247 6059.373 6.0 1 1 33 1479.66 6105.46388 6105.635 6.0 1 1 19 1542.26 6145.65122 6145.441 6.0 1 1 18 1779.21 6296.77976 6296.872 6.0 1 1 13 1894.32 6369.62344 6369.575 6.0 1 1 9 1918.15 6384.65431 6384.717 6.0 1 1 33 1968.41 6416.29611 6416.307 6.0 1 1 164 2270.41 6604.83996 6604.853 6.0 1 1 24 2387.77 6677.34263 6677.282 6.0 1 1 434 2510.79 6752.85506 6752.834 6.0 1 1 331 2705.36 6871.2643 6871.289 6.0 1 1 316 2861.59 6965.39529 6965.431 6.0 1 1 56184 2970.14 7030.27469 7030.251 6.0 1 1 319 3032.28 7067.21966 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 47.91695022583008 3032.27734375 6129.397531677752 953.608528454181 -14.74668278519821 -1.117195370366984 0.1185677090842503 -0.0410904867041287 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1751] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1751] units Angstroms features 32 48.10 5162.31975 5162.285 6.0 1 1 23 85.99 5187.6807 5187.746 6.0 1 1 31 136.23 5221.296 5221.271 6.0 1 1 17 364.23 5373.57944 5373.494 6.0 1 1 5 435.84 5421.28207 5421.352 6.0 1 1 8 547.94 5495.80745 5495.874 6.0 1 1 43 642.86 5558.7526 5558.702 6.0 1 1 55 715.30 5606.67723 5606.733 6.0 1 1 53 841.09 5689.64722 5689.6401 6.0 1 1 8 acs: add; not Ar 917.15 5739.6567 5739.52 6.0 1 1 16 1012.90 5802.43502 5802.08 6.0 1 0 8 acs: increase 1180.86 5912.02798 5912.085 6.0 1 1 47 1206.53 5928.71672 5928.8101 6.0 1 1 20 acs: add 1228.01 5942.67079 5942.6665 6.0 1 1 7 acs: add 1314.95 5999.02335 5998.999 6.0 1 1 7 weak 1337.69 6013.72741 6013.678 6.0 1 1 6 1366.17 6032.13014 6032.127 6.0 1 1 170 1383.56 6043.35299 6043.223 6.0 1 1 67 1408.20 6059.2443 6059.373 6.0 1 1 33 1479.96 6105.43587 6105.635 6.0 1 1 19 1542.61 6145.64799 6145.441 6.0 1 1 18 1779.64 6296.80787 6296.872 6.0 1 1 13 1894.90 6369.73318 6369.575 6.0 1 1 9 1918.59 6384.67457 6384.717 6.0 1 1 33 1968.69 6416.22262 6416.307 6.0 1 1 164 2270.84 6604.86115 6604.853 6.0 1 1 24 2388.05 6677.28336 6677.282 6.0 1 1 434 2511.12 6752.84368 6752.834 6.0 1 1 331 2705.71 6871.28805 6871.289 6.0 1 1 316 2861.93 6965.41385 6965.431 6.0 1 1 56184 2970.42 7030.25565 7030.251 6.0 1 1 319 3032.61 7067.22299 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 48.1028823852539 3032.613037109375 6129.367722023679 953.6221603491886 -14.7170809201062 -1.108174451724569 0.1207293886473616 -0.06236605686917265 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1756] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1756] units Angstroms features 32 48.38 5162.31585 5162.285 6.0 1 1 23 86.27 5187.67968 5187.746 6.0 1 1 31 136.49 5221.28547 5221.271 6.0 1 1 17 364.62 5373.65253 5373.494 6.0 1 1 5 436.07 5421.24457 5421.352 6.0 1 1 8 548.22 5495.79782 5495.874 6.0 1 1 43 643.16 5558.75038 5558.702 6.0 1 1 55 715.61 5606.67548 5606.733 6.0 1 1 53 841.41 5689.64934 5689.6401 6.0 1 1 8 acs: add; not Ar 917.31 5739.55365 5739.52 6.0 1 1 16 1012.84 5802.1748 5802.08 6.0 1 1 8 acs: increase 1181.24 5912.04765 5912.085 6.0 1 1 47 1206.87 5928.71276 5928.8101 6.0 1 1 20 acs: add 1228.40 5942.69051 5942.6665 6.0 1 1 7 acs: add 1315.31 5999.02029 5998.999 6.0 1 1 7 weak 1337.94 6013.6609 6013.678 6.0 1 1 6 1366.47 6032.08885 6032.127 6.0 1 1 170 1383.86 6043.31299 6043.223 6.0 1 1 67 1408.75 6059.36756 6059.373 6.0 1 1 33 1480.39 6105.47366 6105.635 6.0 1 1 19 1542.88 6145.58524 6145.441 6.0 1 1 18 1780.10 6296.86556 6296.872 6.0 1 1 13 1895.24 6369.7207 6369.575 6.0 1 1 9 1918.91 6384.65305 6384.717 6.0 1 1 33 1969.04 6416.21567 6416.307 6.0 1 1 164 2271.17 6604.86736 6604.853 6.0 1 1 24 2388.35 6677.27778 6677.282 6.0 1 1 434 2511.39 6752.8302 6752.834 6.0 1 1 331 2705.99 6871.28819 6871.289 6.0 1 1 316 2862.26 6965.43483 6965.431 6.0 1 1 56184 2970.77 7030.26803 7030.251 6.0 1 1 319 3032.94 7067.20235 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 48.37514495849609 3032.938232421875 6129.356944515178 953.6278583511466 -14.70050916954367 -1.11638767588421 0.1026632717132272 -0.06822409141323317 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1761] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1761] units Angstroms features 32 48.62 5162.31341 5162.285 6.0 1 1 23 86.51 5187.67776 5187.746 6.0 1 1 31 136.72 5221.27361 5221.271 6.0 1 1 17 364.90 5373.67334 5373.494 6.0 1 1 5 436.34 5421.25854 5421.352 6.0 1 1 8 548.50 5495.81855 5495.874 6.0 1 1 43 643.43 5558.75991 5558.702 6.0 1 1 55 715.83 5606.64699 5606.733 6.0 1 1 53 841.82 5689.74691 5689.6401 6.0 1 1 8 acs: add; not Ar 917.41 5739.43702 5739.52 6.0 1 1 16 1012.95 5802.06688 5802.08 6.0 1 1 8 acs: increase 1181.51 5912.04331 5912.085 6.0 1 1 47 1207.03 5928.63592 5928.8101 6.0 1 1 20 acs: add 1228.51 5942.58791 5942.6665 6.0 1 1 7 acs: add 1315.86 5999.20247 5998.999 6.0 1 1 7 weak 1338.56 6013.88263 6013.678 6.0 1 1 6 1366.70 6032.06246 6032.127 6.0 1 1 170 1384.15 6043.32427 6043.223 6.0 1 1 67 1409.15 6059.44761 6059.373 6.0 1 1 33 1480.63 6105.45302 6105.635 6.0 1 1 19 1542.98 6145.47421 6145.441 6.0 1 1 18 1780.50 6296.94447 6296.872 6.0 1 1 13 1895.27 6369.55884 6369.575 6.0 1 1 9 1919.12 6384.60464 6384.717 6.0 1 1 33 1969.37 6416.23987 6416.307 6.0 1 1 164 2271.56 6604.91261 6604.853 6.0 1 1 24 2388.73 6677.30151 6677.282 6.0 1 1 434 2511.76 6752.8405 6752.834 6.0 1 1 331 2706.37 6871.28163 6871.289 6.0 1 1 316 2862.61 6965.40881 6965.431 6.0 1 1 56184 2971.17 7030.28267 7030.251 6.0 1 1 319 3033.30 7067.20141 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 48.62393188476563 3033.300048828125 6129.35975299229 953.6194051295799 -14.71168978884832 -1.114818588773114 0.1093491704609003 -0.06058670971179522 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1766] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1766] units Angstroms features 32 48.91 5162.33369 5162.285 6.0 1 1 23 86.77 5187.67012 5187.746 6.0 1 1 31 137.03 5221.29835 5221.271 6.0 1 1 17 364.91 5373.49397 5373.494 6.0 1 1 5 436.73 5421.33415 5421.352 6.0 1 1 8 548.80 5495.84268 5495.874 6.0 1 1 43 643.79 5558.82889 5558.702 6.0 1 1 55 716.12 5606.68286 5606.733 6.0 1 1 53 841.89 5689.65023 5689.6401 6.0 1 1 8 acs: add; not Ar 917.62 5739.4454 5739.52 6.0 1 1 16 1013.75 5802.47023 5802.08 6.0 1 0 8 acs: increase 1181.84 5912.14652 5912.085 6.0 1 1 47 1207.26 5928.67311 5928.8101 6.0 1 1 20 acs: add 1228.79 5942.65596 5942.6665 6.0 1 1 7 acs: add 1315.85 5999.08168 5998.999 6.0 1 1 7 weak 1338.63 6013.81391 6013.678 6.0 1 1 6 1366.96 6032.11483 6032.127 6.0 1 1 170 1384.36 6043.34669 6043.223 6.0 1 1 67 1409.26 6059.40644 6059.373 6.0 1 1 33 1480.80 6105.44545 6105.635 6.0 1 1 19 1543.00 6145.36326 6145.441 6.0 1 1 18 1780.57 6296.84709 6296.872 6.0 1 1 13 1895.67 6369.65612 6369.575 6.0 1 1 9 1919.53 6384.69987 6384.717 6.0 1 1 33 1969.67 6416.26241 6416.307 6.0 1 1 164 2271.92 6604.93024 6604.853 6.0 1 1 24 2389.01 6677.25831 6677.282 6.0 1 1 434 2512.10 6752.81889 6752.834 6.0 1 1 331 2706.77 6871.29284 6871.289 6.0 1 1 316 2862.96 6965.38936 6965.431 6.0 1 1 56184 2971.56 7030.29296 7030.251 6.0 1 1 319 3033.66 7067.20741 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 48.91037368774415 3033.663330078125 6129.384660153173 953.6031502544887 -14.74869923413292 -1.101253932684383 0.1345904089645736 -0.06503586519904125 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1771] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1771] units Angstroms features 32 49.21 5162.27425 5162.285 6.0 1 1 23 87.19 5187.71497 5187.746 6.0 1 1 31 137.49 5221.38887 5221.271 6.0 1 1 17 364.86 5373.28885 5373.494 6.0 1 1 5 437.06 5421.38959 5421.352 6.0 1 1 8 549.06 5495.84889 5495.874 6.0 1 1 43 644.07 5558.84545 5558.702 6.0 1 1 55 716.47 5606.7424 5606.733 6.0 1 1 53 842.17 5689.64886 5689.6401 6.0 1 1 8 acs: add; not Ar 917.98 5739.49829 5739.52 6.0 1 1 16 1013.98 5802.43354 5802.08 6.0 1 0 8 acs: increase 1182.07 5912.1134 5912.085 6.0 1 1 47 1207.76 5928.81471 5928.8101 6.0 1 1 20 acs: add 1229.09 5942.66973 5942.6665 6.0 1 1 7 acs: add 1315.77 5998.85526 5998.999 6.0 1 1 7 weak 1338.66 6013.6583 6013.678 6.0 1 1 6 1367.26 6032.14201 6032.127 6.0 1 1 170 1384.68 6043.38366 6043.223 6.0 1 1 67 1409.51 6059.39539 6059.373 6.0 1 1 33 1481.21 6105.54967 6105.635 6.0 1 1 19 1543.38 6145.45162 6145.441 6.0 1 1 18 1780.65 6296.75595 6296.872 6.0 1 1 13 1895.84 6369.63049 6369.575 6.0 1 1 9 1919.75 6384.7093 6384.717 6.0 1 1 33 1969.92 6416.29132 6416.307 6.0 1 1 164 2272.28 6604.99537 6604.853 6.0 1 1 24 2389.30 6677.26029 6677.282 6.0 1 1 434 2512.42 6752.82154 6752.834 6.0 1 1 331 2707.07 6871.24834 6871.289 6.0 1 1 316 2863.31 6965.37648 6965.431 6.0 1 1 56184 2971.92 7030.29315 7030.251 6.0 1 1 319 3034.03 7067.2273 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 49.20587921142579 3034.025634765625 6129.405517180102 953.6118839353229 -14.78624365579867 -1.098163806049554 0.1315000871542467 -0.03719376186159052 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1776] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1776] units Angstroms features 32 49.37 5162.25039 5162.285 6.0 1 1 23 87.47 5187.76103 5187.746 6.0 1 1 31 137.60 5221.30731 5221.271 6.0 1 1 17 365.47 5373.48518 5373.494 6.0 1 1 5 437.40 5421.39276 5421.352 6.0 1 1 8 549.35 5495.80055 5495.874 6.0 1 1 43 644.33 5558.7657 5558.702 6.0 1 1 55 716.68 5606.62287 5606.733 6.0 1 1 53 842.51 5689.61284 5689.6401 6.0 1 1 8 acs: add; not Ar 918.36 5739.47778 5739.52 6.0 1 1 16 1014.26 5802.3546 5802.08 6.0 1 1 8 acs: increase 1182.34 5912.04009 5912.085 6.0 1 1 47 1208.06 5928.76307 5928.8101 6.0 1 1 20 acs: add 1229.38 5942.61369 5942.6665 6.0 1 1 7 acs: add 1316.16 5998.87395 5998.999 6.0 1 1 7 weak 1338.80 6013.52195 6013.678 6.0 1 1 6 1367.60 6032.13612 6032.127 6.0 1 1 170 1385.01 6043.37569 6043.223 6.0 1 1 67 1410.01 6059.50341 6059.373 6.0 1 1 33 1481.81 6105.7234 6105.635 6.0 1 1 19 1543.80 6145.52104 6145.441 6.0 1 1 18 1780.95 6296.77056 6296.872 6.0 1 1 13 1895.61 6369.31231 6369.575 6.0 1 1 9 1920.01 6384.69514 6384.717 6.0 1 1 33 1970.33 6416.37221 6416.307 6.0 1 1 164 2272.64 6605.03363 6604.853 6.0 1 1 24 2389.76 6677.34818 6677.282 6.0 1 1 434 2512.77 6752.82445 6752.834 6.0 1 1 331 2707.40 6871.21939 6871.289 6.0 1 1 316 2863.65 6965.35445 6965.431 6.0 1 1 56184 2972.24 7030.27739 7030.251 6.0 1 1 319 3034.39 7067.25257 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 49.37256622314453 3034.3935546875 6129.368517578435 953.6555262628569 -14.77017287841546 -1.133124234211521 0.1531372069699416 -0.02131188873106841 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1781] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1781] units Angstroms features 32 49.71 5162.27865 5162.285 6.0 1 1 23 87.69 5187.67671 5187.746 6.0 1 1 31 138.01 5221.31654 5221.271 6.0 1 1 17 366.26 5373.69339 5373.494 6.0 1 1 5 437.73 5421.29019 5421.352 6.0 1 1 8 549.77 5495.77697 5495.874 6.0 1 1 43 644.73 5558.7467 5558.702 6.0 1 1 55 717.06 5606.60189 5606.733 6.0 1 1 53 842.92 5689.63736 5689.6401 6.0 1 1 8 acs: add; not Ar 918.86 5739.57499 5739.52 6.0 1 1 16 1014.76 5802.4563 5802.08 6.0 1 0 8 acs: increase 1182.71 5912.05207 5912.085 6.0 1 1 47 1208.36 5928.72451 5928.8101 6.0 1 1 20 acs: add 1229.68 5942.5739 5942.6665 6.0 1 1 7 acs: add 1317.04 5999.20164 5998.999 6.0 1 1 7 weak 1339.43 6013.68045 6013.678 6.0 1 1 6 1367.99 6032.13129 6032.127 6.0 1 1 170 1385.38 6043.35825 6043.223 6.0 1 1 67 1410.31 6059.43707 6059.373 6.0 1 1 33 1482.00 6105.57612 6105.635 6.0 1 1 19 1544.08 6145.41809 6145.441 6.0 1 1 18 1781.49 6296.79273 6296.872 6.0 1 1 13 1896.59 6369.60465 6369.575 6.0 1 1 9 1920.40 6384.61968 6384.717 6.0 1 1 33 1970.75 6416.31109 6416.307 6.0 1 1 164 2272.86 6604.87796 6604.853 6.0 1 1 24 2390.14 6677.32712 6677.282 6.0 1 1 434 2513.13 6752.82168 6752.834 6.0 1 1 331 2707.81 6871.29604 6871.289 6.0 1 1 316 2864.02 6965.40029 6965.431 6.0 1 1 56184 2972.61 7030.28257 7030.251 6.0 1 1 319 3034.74 7067.20311 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 49.70921325683594 3034.74365234375 6129.331995876274 953.6721756974255 -14.74486038860827 -1.132192716746813 0.1537458035430351 -0.0777520844292172 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1786] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1786] units Angstroms features 32 50.09 5162.30565 5162.285 6.0 1 1 23 88.00 5187.67438 5187.746 6.0 1 1 31 138.30 5221.3122 5221.271 6.0 1 1 17 366.47 5373.64905 5373.494 6.0 1 1 5 437.94 5421.24811 5421.352 6.0 1 1 8 550.05 5495.75872 5495.874 6.0 1 1 43 645.06 5558.751 5558.702 6.0 1 1 55 717.54 5606.70186 5606.733 6.0 1 1 53 843.28 5689.6407 5689.6401 6.0 1 1 8 acs: add; not Ar 919.14 5739.52197 5739.52 6.0 1 1 16 1014.86 5802.27851 5802.08 6.0 1 1 8 acs: increase 1183.05 5912.02765 5912.085 6.0 1 1 47 1208.65 5928.67224 5928.8101 6.0 1 1 20 acs: add 1229.94 5942.5025 5942.6665 6.0 1 1 7 acs: add 1317.42 5999.21276 5998.999 6.0 1 1 7 weak 1340.58 6014.19119 6013.678 6.0 1 0 6 1368.33 6032.12337 6032.127 6.0 1 1 170 1385.66 6043.31113 6043.223 6.0 1 1 67 1410.57 6059.37249 6059.373 6.0 1 1 33 1482.23 6105.50211 6105.635 6.0 1 1 19 1544.60 6145.53213 6145.441 6.0 1 1 18 1781.84 6296.81354 6296.872 6.0 1 1 13 1896.83 6369.55856 6369.575 6.0 1 1 9 1920.91 6384.74177 6384.717 6.0 1 1 33 1971.03 6416.29049 6416.307 6.0 1 1 164 2273.16 6604.85986 6604.853 6.0 1 1 24 2390.48 6677.30989 6677.282 6.0 1 1 434 2513.56 6752.84627 6752.834 6.0 1 1 331 2708.22 6871.28531 6871.289 6.0 1 1 316 2864.43 6965.38889 6965.431 6.0 1 1 56184 2972.97 7030.26409 7030.251 6.0 1 1 319 3035.15 7067.2285 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 50.08560943603515 3035.146728515625 6129.360383735186 953.6488102518176 -14.74754908281082 -1.136223900484363 0.1542382943457484 -0.05116053595202034 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1791] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1791] units Angstroms features 32 50.35 5162.35218 5162.285 6.0 1 1 23 88.18 5187.65509 5187.746 6.0 1 1 31 138.42 5221.25128 5221.271 6.0 1 1 17 366.69 5373.64055 5373.494 6.0 1 1 5 438.28 5421.31888 5421.352 6.0 1 1 8 550.29 5495.76677 5495.874 6.0 1 1 43 645.27 5558.73603 5558.702 6.0 1 1 55 717.76 5606.6895 5606.733 6.0 1 1 53 843.75 5689.78604 5689.6401 6.0 1 1 8 acs: add; not Ar 919.32 5739.46508 5739.52 6.0 1 1 16 1014.86 5802.09445 5802.08 6.0 1 1 8 acs: increase 1183.34 5912.02458 5912.085 6.0 1 1 47 1208.85 5928.60756 5928.8101 6.0 1 1 20 acs: add 1230.23 5942.49299 5942.6665 6.0 1 1 7 acs: add 1317.61 5999.12478 5998.999 6.0 1 1 7 weak 1340.49 6013.91916 6013.678 6.0 1 1 6 1368.63 6032.09843 6032.127 6.0 1 1 170 1385.96 6043.28594 6043.223 6.0 1 1 67 1410.93 6059.38368 6059.373 6.0 1 1 33 1482.64 6105.53851 6105.635 6.0 1 1 19 1545.18 6145.66924 6145.441 6.0 1 1 18 1782.15 6296.76575 6296.872 6.0 1 1 13 1897.10 6369.48049 6369.575 6.0 1 1 9 1921.28 6384.72986 6384.717 6.0 1 1 33 1971.34 6416.24157 6416.307 6.0 1 1 164 2273.73 6604.97866 6604.853 6.0 1 1 24 2390.75 6677.2581 6677.282 6.0 1 1 434 2513.88 6752.83564 6752.834 6.0 1 1 331 2708.54 6871.27388 6871.289 6.0 1 1 316 2864.85 6965.40792 6965.431 6.0 1 1 56184 2973.48 7030.29523 7030.251 6.0 1 1 319 3035.60 7067.19589 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 50.35194396972656 3035.60009765625 6129.385226139401 953.6329877913949 -14.74265401060868 -1.142802987763798 0.1314608192984262 -0.06833085609869329 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1796] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1796] units Angstroms features 32 50.66 5162.37137 5162.285 6.0 1 1 23 88.49 5187.66823 5187.746 6.0 1 1 31 138.62 5221.17613 5221.271 6.0 1 1 17 367.18 5373.74455 5373.494 6.0 1 1 5 438.60 5421.31125 5421.352 6.0 1 1 8 550.59 5495.75103 5495.874 6.0 1 1 43 645.63 5558.76095 5558.702 6.0 1 1 55 717.98 5606.62723 5606.733 6.0 1 1 53 843.89 5689.67657 5689.6401 6.0 1 1 8 acs: add; not Ar 919.62 5739.47242 5739.52 6.0 1 1 16 1015.21 5802.13759 5802.08 6.0 1 1 8 acs: increase 1183.82 5912.14912 5912.085 6.0 1 1 47 1209.13 5928.6016 5928.8101 6.0 1 1 20 acs: add 1230.66 5942.58648 5942.6665 6.0 1 1 7 acs: add 1317.61 5998.9431 5998.999 6.0 1 1 7 weak 1340.81 6013.942 6013.678 6.0 1 1 6 1368.93 6032.10771 6032.127 6.0 1 1 170 1386.27 6043.29762 6043.223 6.0 1 1 67 1411.21 6059.37948 6059.373 6.0 1 1 33 1483.08 6105.63352 6105.635 6.0 1 1 19 1545.29 6145.55138 6145.441 6.0 1 1 18 1782.45 6296.75875 6296.872 6.0 1 1 13 1897.37 6369.44744 6369.575 6.0 1 1 9 1921.68 6384.77761 6384.717 6.0 1 1 33 1971.67 6416.24075 6416.307 6.0 1 1 164 2274.06 6604.97453 6604.853 6.0 1 1 24 2391.10 6677.26595 6677.282 6.0 1 1 434 2514.25 6752.85086 6752.834 6.0 1 1 331 2708.84 6871.25319 6871.289 6.0 1 1 316 2865.21 6965.42271 6965.431 6.0 1 1 56184 2973.79 7030.2736 7030.251 6.0 1 1 319 3035.98 7067.20899 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 50.65777969360352 3035.981689453126 6129.400365996137 953.6424388933045 -14.75059016061081 -1.144269343424874 0.1404039378263398 -0.07935507319110022 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1801] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1801] units Angstroms features 32 50.89 5162.34086 5162.285 6.0 1 1 23 88.90 5187.74332 5187.746 6.0 1 1 31 138.91 5221.16596 5221.271 6.0 1 1 17 367.35 5373.64043 5373.494 6.0 1 1 5 438.91 5421.30368 5421.352 6.0 1 1 8 550.96 5495.79546 5495.874 6.0 1 1 43 645.96 5558.79041 5558.702 6.0 1 1 55 718.26 5606.62958 5606.733 6.0 1 1 53 844.00 5689.57971 5689.6401 6.0 1 1 8 acs: add; not Ar 919.99 5739.54242 5739.52 6.0 1 1 16 1015.72 5802.30739 5802.08 6.0 1 1 8 acs: increase 1184.09 5912.15591 5912.085 6.0 1 1 47 1209.46 5928.64188 5928.8101 6.0 1 1 20 acs: add 1230.65 5942.4045 5942.6665 6.0 1 1 7 acs: add 1318.12 5999.08584 5998.999 6.0 1 1 7 weak 1340.84 6013.77908 6013.678 6.0 1 1 6 1369.27 6032.1391 6032.127 6.0 1 1 170 1386.58 6043.30779 6043.223 6.0 1 1 67 1411.54 6059.39885 6059.373 6.0 1 1 33 1483.32 6105.58668 6105.635 6.0 1 1 19 1545.46 6145.44877 6145.441 6.0 1 1 18 1782.75 6296.70347 6296.872 6.0 1 1 13 1898.25 6369.74559 6369.575 6.0 1 1 9 1922.03 6384.73283 6384.717 6.0 1 1 33 1971.99 6416.17959 6416.307 6.0 1 1 164 2274.45 6604.94243 6604.853 6.0 1 1 24 2391.57 6677.28317 6677.282 6.0 1 1 434 2514.64 6752.83512 6752.834 6.0 1 1 331 2709.21 6871.24551 6871.289 6.0 1 1 316 2865.56 6965.4262 6965.431 6.0 1 1 56184 2974.07 7030.2475 7030.251 6.0 1 1 319 3036.35 7067.23467 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 50.89004135131836 3036.346923828125 6129.375492351338 953.6577479351 -14.74187292630483 -1.111659410904257 0.1541484052518101 -0.09918357470249682 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1806] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1806] units Angstroms features 32 51.23 5162.34783 5162.285 6.0 1 1 23 89.11 5187.67194 5187.746 6.0 1 1 31 139.40 5221.28452 5221.271 6.0 1 1 17 367.38 5373.47276 5373.494 6.0 1 1 5 439.23 5421.33324 5421.352 6.0 1 1 8 551.34 5495.86595 5495.874 6.0 1 1 43 646.21 5558.78098 5558.702 6.0 1 1 55 718.68 5606.72964 5606.733 6.0 1 1 53 844.23 5689.55141 5689.6401 6.0 1 1 8 acs: add; not Ar 920.30 5739.56337 5739.52 6.0 1 1 16 1015.84 5802.19853 5802.08 6.0 1 1 8 acs: increase 1184.39 5912.15106 5912.085 6.0 1 1 47 1209.66 5928.5767 5928.8101 6.0 1 1 20 acs: add 1230.86 5942.34411 5942.6665 6.0 1 0 7 acs: add 1319.22 5999.59655 5998.999 6.0 1 0 7 weak 1340.42 6013.29876 6013.678 6.0 1 0 6 1369.56 6032.12016 6032.127 6.0 1 1 170 1386.85 6043.27291 6043.223 6.0 1 1 67 1411.89 6059.41726 6059.373 6.0 1 1 33 1483.68 6105.60058 6105.635 6.0 1 1 19 1545.76 6145.42423 6145.441 6.0 1 1 18 1783.45 6296.91614 6296.872 6.0 1 1 13 1898.43 6369.62466 6369.575 6.0 1 1 9 1922.37 6384.71285 6384.717 6.0 1 1 33 1972.43 6416.21489 6416.307 6.0 1 1 164 2274.79 6604.91211 6604.853 6.0 1 1 24 2391.95 6677.2873 6677.282 6.0 1 1 434 2514.96 6752.80116 6752.834 6.0 1 1 331 2709.65 6871.28348 6871.289 6.0 1 1 316 2865.95 6965.43478 6965.431 6.0 1 1 56184 2974.45 7030.24067 7030.251 6.0 1 1 319 3036.73 7067.22905 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 51.22587203979491 3036.73291015625 6129.390863840059 953.6389628675332 -14.7473017989868 -1.094979324650533 0.1448792745026937 -0.1033721068051444 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1811] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1811] units Angstroms features 32 51.63 5162.39635 5162.285 6.0 1 1 23 89.33 5187.65482 5187.746 6.0 1 1 31 139.60 5221.30156 5221.271 6.0 1 1 17 367.29 5373.36332 5373.494 6.0 1 1 5 439.22 5421.25944 5421.352 6.0 1 1 8 551.55 5495.88798 5495.874 6.0 1 1 43 646.47 5558.78934 5558.702 6.0 1 1 55 718.99 5606.73984 5606.733 6.0 1 1 53 844.96 5689.78381 5689.6401 6.0 1 1 8 acs: add; not Ar 920.67 5739.53576 5739.52 6.0 1 1 16 1016.46 5802.30712 5802.08 6.0 1 1 8 acs: increase 1184.70 5912.05448 5912.085 6.0 1 1 47 1210.00 5928.50208 5928.8101 6.0 1 1 20 acs: add 1231.65 5942.56174 5942.6665 6.0 1 1 7 acs: add 1319.03 5999.18979 5998.999 6.0 1 1 7 weak 1341.30 6013.59144 6013.678 6.0 1 1 6 1369.86 6032.03733 6032.127 6.0 1 1 170 1387.24 6043.25704 6043.223 6.0 1 1 67 1412.24 6059.38099 6059.373 6.0 1 1 33 1483.96 6105.53903 6105.635 6.0 1 1 19 1546.34 6145.57305 6145.441 6.0 1 1 18 1783.67 6296.90103 6296.872 6.0 1 1 13 1898.43 6369.49583 6369.575 6.0 1 1 9 1922.61 6384.73553 6384.717 6.0 1 1 33 1972.71 6416.27256 6416.307 6.0 1 1 164 2275.23 6605.03245 6604.853 6.0 1 1 24 2392.31 6677.31662 6677.282 6.0 1 1 434 2515.32 6752.77629 6752.834 6.0 1 1 331 2710.09 6871.24458 6871.289 6.0 1 1 316 2866.30 6965.33568 6965.431 6.0 1 1 56184 2974.95 7030.28503 7030.251 6.0 1 1 319 3037.11 7067.26181 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 51.62650680541991 3037.110595703125 6129.441062259549 953.5576095626543 -14.74048720559244 -1.114037833080292 0.1285056216385173 -0.01084334508586302 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1816] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1816] units Angstroms features 32 51.90 5162.3491 5162.285 6.0 1 1 23 89.75 5187.70127 5187.746 6.0 1 1 31 139.96 5221.31252 5221.271 6.0 1 1 17 367.69 5373.40735 5373.494 6.0 1 1 5 439.50 5421.22732 5421.352 6.0 1 1 8 551.69 5495.78198 5495.874 6.0 1 1 43 646.83 5558.83892 5558.702 6.0 1 1 55 719.23 5606.71797 5606.733 6.0 1 1 53 845.40 5689.91046 5689.6401 6.0 1 1 8 acs: add; not Ar 920.95 5739.56762 5739.52 6.0 1 1 16 1016.48 5802.18169 5802.08 6.0 1 1 8 acs: increase 1184.99 5912.1148 5912.085 6.0 1 1 47 1210.26 5928.54204 5928.8101 6.0 1 1 20 acs: add 1232.02 5942.67595 5942.6665 6.0 1 1 7 acs: add 1318.82 5998.93346 5998.999 6.0 1 1 7 weak 1341.06 6013.31921 6013.678 6.0 1 1 6 1370.19 6032.13765 6032.127 6.0 1 1 170 1387.58 6043.36445 6043.223 6.0 1 1 67 1412.51 6059.44087 6059.373 6.0 1 1 33 1484.10 6105.51771 6105.635 6.0 1 1 19 1546.73 6145.70985 6145.441 6.0 1 1 18 1783.66 6296.77196 6296.872 6.0 1 1 13 1898.79 6369.58798 6369.575 6.0 1 1 9 1922.83 6384.74393 6384.717 6.0 1 1 33 1972.99 6416.30904 6416.307 6.0 1 1 164 2275.38 6604.94998 6604.853 6.0 1 1 24 2392.58 6677.28732 6677.282 6.0 1 1 434 2515.74 6752.82676 6752.834 6.0 1 1 331 2710.50 6871.26578 6871.289 6.0 1 1 316 2866.68 6965.33154 6965.431 6.0 1 1 56184 2975.30 7030.26721 7030.251 6.0 1 1 319 3037.49 7067.27 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 51.896728515625 3037.488525390625 6129.455580615725 953.5796676722256 -14.79824415860419 -1.108928344382323 0.1522100307764649 -0.01029078932256146 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1821] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1821] units Angstroms features 32 51.98 5162.24358 5162.285 6.0 1 1 23 90.09 5187.74579 5187.746 6.0 1 1 31 140.33 5221.3374 5221.271 6.0 1 1 17 368.46 5373.63448 5373.494 6.0 1 1 5 439.91 5421.20936 5421.352 6.0 1 1 8 552.00 5495.70046 5495.874 6.0 1 1 43 647.15 5558.77763 5558.702 6.0 1 1 55 719.57 5606.67859 5606.733 6.0 1 1 53 845.56 5689.77034 5689.6401 6.0 1 1 8 acs: add; not Ar 921.22 5739.51066 5739.52 6.0 1 1 16 1016.88 5802.21877 5802.08 6.0 1 1 8 acs: increase 1185.31 5912.1174 5912.085 6.0 1 1 47 1210.71 5928.62687 5928.8101 6.0 1 1 20 acs: add 1232.41 5942.72689 5942.6665 6.0 1 1 7 acs: add 1319.43 5999.12156 5998.999 6.0 1 1 7 weak 1341.48 6013.38284 6013.678 6.0 1 1 6 1370.50 6032.13492 6032.127 6.0 1 1 170 1387.94 6043.38739 6043.223 6.0 1 1 67 1412.72 6059.37004 6059.373 6.0 1 1 33 1484.45 6105.53437 6105.635 6.0 1 1 19 1546.83 6145.56076 6145.441 6.0 1 1 18 1783.89 6296.69271 6296.872 6.0 1 1 13 1899.30 6369.68228 6369.575 6.0 1 1 9 1923.12 6384.69655 6384.717 6.0 1 1 33 1973.33 6416.29171 6416.307 6.0 1 1 164 2275.69 6604.92064 6604.853 6.0 1 1 24 2392.98 6677.32297 6677.282 6.0 1 1 434 2516.05 6752.81957 6752.834 6.0 1 1 331 2710.81 6871.26986 6871.289 6.0 1 1 316 2867.06 6965.37022 6965.431 6.0 1 1 56184 2975.62 7030.24916 7030.251 6.0 1 1 319 3037.86 7067.25793 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 51.97534942626953 3037.86474609375 6129.376576543933 953.681396459283 -14.79390932963374 -1.132286954127036 0.1680860890244968 -0.04193492597866347 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1826] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1826] units Angstroms features 32 52.20 5162.28141 5162.285 6.0 1 1 23 90.27 5187.73803 5187.746 6.0 1 1 31 140.45 5221.28374 5221.271 6.0 1 1 17 368.58 5373.54921 5373.494 6.0 1 1 5 440.31 5421.3155 5421.352 6.0 1 1 8 552.33 5495.76219 5495.874 6.0 1 1 43 647.42 5558.79823 5558.702 6.0 1 1 55 719.84 5606.70412 5606.733 6.0 1 1 53 845.65 5689.67348 5689.6401 6.0 1 1 8 acs: add; not Ar 921.53 5739.55234 5739.52 6.0 1 1 16 1017.39 5802.38333 5802.08 6.0 1 0 8 acs: increase 1185.70 5912.17164 5912.085 6.0 1 1 47 1211.28 5928.79482 5928.8101 6.0 1 1 20 acs: add 1232.39 5942.50081 5942.6665 6.0 1 1 7 acs: add 1320.19 5999.39533 5998.999 6.0 1 0 7 weak 1342.15 6013.58836 6013.678 6.0 1 1 6 1370.78 6032.08115 6032.127 6.0 1 1 170 1388.20 6043.3188 6043.223 6.0 1 1 67 1413.24 6059.46403 6059.373 6.0 1 1 33 1484.79 6105.49407 6105.635 6.0 1 1 19 1547.37 6145.64548 6145.441 6.0 1 1 18 1784.63 6296.87264 6296.872 6.0 1 1 13 1899.54 6369.53531 6369.575 6.0 1 1 9 1923.59 6384.69464 6384.717 6.0 1 1 33 1973.76 6416.26623 6416.307 6.0 1 1 164 2276.02 6604.87007 6604.853 6.0 1 1 24 2393.33 6677.31116 6677.282 6.0 1 1 434 2516.46 6752.86696 6752.834 6.0 1 1 331 2711.06 6871.25 6871.289 6.0 1 1 316 2867.42 6965.40144 6965.431 6.0 1 1 56184 2976.09 7030.29366 7030.251 6.0 1 1 319 3038.24 7067.20519 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 52.19924545288086 3038.24267578125 6129.364825081063 953.6677707849046 -14.76215039505366 -1.127809199597128 0.140624559136893 -0.07806841994206066 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1831] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1831] units Angstroms features 32 52.35 5162.27826 5162.285 6.0 1 1 23 90.46 5187.7529 5187.746 6.0 1 1 31 140.63 5221.28025 5221.271 6.0 1 1 17 368.69 5373.45564 5373.494 6.0 1 1 5 440.69 5421.3901 5421.352 6.0 1 1 8 552.68 5495.79671 5495.874 6.0 1 1 43 647.71 5558.78362 5558.702 6.0 1 1 55 720.12 5606.67137 5606.733 6.0 1 1 53 846.12 5689.75662 5689.6401 6.0 1 1 8 acs: add; not Ar 921.74 5739.46362 5739.52 6.0 1 1 16 1017.54 5802.25051 5802.08 6.0 1 1 8 acs: increase 1185.97 5912.12401 5912.085 6.0 1 1 47 1211.50 5928.71479 5928.8101 6.0 1 1 20 acs: add 1232.61 5942.42736 5942.6665 6.0 1 1 7 acs: add 1320.67 5999.48791 5998.999 6.0 1 0 7 weak 1342.46 6013.5761 6013.678 6.0 1 1 6 1371.12 6032.08706 6032.127 6.0 1 1 170 1388.50 6043.30085 6043.223 6.0 1 1 67 1413.41 6059.36236 6059.373 6.0 1 1 33 1485.16 6105.53325 6105.635 6.0 1 1 19 1547.83 6145.74259 6145.441 6.0 1 1 18 1785.09 6296.98478 6296.872 6.0 1 1 13 1899.77 6369.51647 6369.575 6.0 1 1 9 1923.86 6384.70178 6384.717 6.0 1 1 33 1974.12 6416.3303 6416.307 6.0 1 1 164 2275.93 6604.66281 6604.853 6.0 1 1 24 2393.62 6677.33396 6677.282 6.0 1 1 434 2516.78 6752.90042 6752.834 6.0 1 1 331 2711.44 6871.28344 6871.289 6.0 1 1 316 2867.83 6965.41878 6965.431 6.0 1 1 56184 2976.55 7030.32104 7030.251 6.0 1 1 319 3038.63 7067.16299 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 52.3477668762207 3038.625732421875 6129.344848630459 953.6947904303815 -14.75958642446981 -1.178642651625457 0.1353628274497607 -0.07378244502659803 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1836] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1836] units Angstroms features 32 52.68 5162.28261 5162.285 6.0 1 1 23 90.81 5187.78284 5187.746 6.0 1 1 31 140.88 5221.26151 5221.271 6.0 1 1 17 368.81 5373.36293 5373.494 6.0 1 1 5 441.05 5421.44381 5421.352 6.0 1 1 8 553.02 5495.82798 5495.874 6.0 1 1 43 648.06 5558.80497 5558.702 6.0 1 1 55 720.35 5606.59973 5606.733 6.0 1 1 53 846.50 5689.77285 5689.6401 6.0 1 1 8 acs: add; not Ar 922.18 5739.50948 5739.52 6.0 1 1 16 1017.82 5802.19169 5802.08 6.0 1 1 8 acs: increase 1186.24 5912.06661 5912.085 6.0 1 1 47 1211.86 5928.72396 5928.8101 6.0 1 1 20 acs: add 1233.26 5942.62093 5942.6665 6.0 1 1 7 acs: add 1320.40 5999.09674 5998.999 6.0 1 1 7 weak 1342.64 6013.4801 6013.678 6.0 1 1 6 1371.44 6032.08551 6032.127 6.0 1 1 170 1388.82 6043.29917 6043.223 6.0 1 1 67 1413.66 6059.32234 6059.373 6.0 1 1 33 1485.55 6105.59079 6105.635 6.0 1 1 19 1547.96 6145.64105 6145.441 6.0 1 1 18 1785.16 6296.8741 6296.872 6.0 1 1 13 1899.87 6369.42538 6369.575 6.0 1 1 9 1924.24 6384.78648 6384.717 6.0 1 1 33 1974.38 6416.34147 6416.307 6.0 1 1 164 2276.50 6604.82998 6604.853 6.0 1 1 24 2393.96 6677.32936 6677.282 6.0 1 1 434 2517.12 6752.86556 6752.834 6.0 1 1 331 2711.84 6871.25733 6871.289 6.0 1 1 316 2868.18 6965.37015 6965.431 6.0 1 1 56184 2976.88 7030.29663 7030.251 6.0 1 1 319 3039.02 7067.21965 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 52.68123626708984 3039.019287109375 6129.369519621429 953.686244620599 -14.76889746607631 -1.185094779843882 0.1505112423747983 -0.03262836111397707 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1841] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1841] units Angstroms features 32 53.15 5162.27002 5162.285 6.0 1 1 23 91.25 5187.77425 5187.746 6.0 1 1 31 141.39 5221.32158 5221.271 6.0 1 1 17 369.06 5373.32088 5373.494 6.0 1 1 5 441.26 5421.3891 5421.352 6.0 1 1 8 553.29 5495.82111 5495.874 6.0 1 1 43 648.37 5558.82364 5558.702 6.0 1 1 55 720.73 5606.66521 5606.733 6.0 1 1 53 846.67 5689.69527 5689.6401 6.0 1 1 8 acs: add; not Ar 922.68 5739.64388 5739.52 6.0 1 1 16 1018.01 5802.1136 5802.08 6.0 1 1 8 acs: increase 1186.51 5912.01989 5912.085 6.0 1 1 47 1212.16 5928.68695 5928.8101 6.0 1 1 20 acs: add 1233.87 5942.78404 5942.6665 6.0 1 1 7 acs: add 1320.52 5998.93488 5998.999 6.0 1 1 7 weak 1343.22 6013.61252 6013.678 6.0 1 1 6 1371.84 6032.10009 6032.127 6.0 1 1 170 1389.19 6043.29436 6043.223 6.0 1 1 67 1414.10 6059.35524 6059.373 6.0 1 1 33 1485.85 6105.52601 6105.635 6.0 1 1 19 1548.39 6145.65413 6145.441 6.0 1 1 18 1785.39 6296.74852 6296.872 6.0 1 1 13 1900.39 6369.47609 6369.575 6.0 1 1 9 1924.62 6384.75331 6384.717 6.0 1 1 33 1974.79 6416.31945 6416.307 6.0 1 1 164 2277.24 6605.01443 6604.853 6.0 1 1 24 2394.37 6677.31998 6677.282 6.0 1 1 434 2517.45 6752.81541 6752.834 6.0 1 1 331 2712.15 6871.21649 6871.289 6.0 1 1 316 2868.51 6965.36118 6965.431 6.0 1 1 56184 2977.15 7030.27155 7030.251 6.0 1 1 319 3039.38 7067.26062 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 53.14872360229492 3039.380615234375 6129.398077908875 953.6547082610082 -14.76475696266766 -1.131476066868816 0.1320012555344605 -0.02793335413738184 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1846] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1846] units Angstroms features 32 53.42 5162.2361 5162.285 6.0 1 1 23 91.55 5187.75583 5187.746 6.0 1 1 31 141.79 5221.36381 5221.271 6.0 1 1 17 369.60 5373.47023 5373.494 6.0 1 1 5 441.35 5421.24502 5421.352 6.0 1 1 8 553.57 5495.81308 5495.874 6.0 1 1 43 648.67 5558.84221 5558.702 6.0 1 1 55 721.08 5606.72584 5606.733 6.0 1 1 53 846.81 5689.61694 5689.6401 6.0 1 1 8 acs: add; not Ar 922.88 5739.60751 5739.52 6.0 1 1 16 1018.40 5802.20188 5802.08 6.0 1 1 8 acs: increase 1186.78 5912.01345 5912.085 6.0 1 1 47 1212.25 5928.56477 5928.8101 6.0 1 1 20 acs: add 1233.96 5942.66099 5942.6665 6.0 1 1 7 acs: add 1321.06 5999.08465 5998.999 6.0 1 1 7 weak 1343.52 6013.60467 6013.678 6.0 1 1 6 1372.18 6032.10993 6032.127 6.0 1 1 170 1389.52 6043.30017 6043.223 6.0 1 1 67 1414.60 6059.46483 6059.373 6.0 1 1 33 1486.08 6105.45431 6105.635 6.0 1 1 19 1548.72 6145.63369 6145.441 6.0 1 1 18 1785.93 6296.82026 6296.872 6.0 1 1 13 1900.99 6369.57717 6369.575 6.0 1 1 9 1925.05 6384.74333 6384.717 6.0 1 1 33 1975.19 6416.28931 6416.307 6.0 1 1 164 2277.46 6604.87525 6604.853 6.0 1 1 24 2394.72 6677.27151 6677.282 6.0 1 1 434 2517.87 6752.82319 6752.834 6.0 1 1 331 2712.69 6871.31176 6871.289 6.0 1 1 316 2868.96 6965.39534 6965.431 6.0 1 1 56184 2977.57 7030.2648 7030.251 6.0 1 1 319 3039.79 7067.22186 7067.218 6.0 1 1 25987 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 53.41931152343749 3039.786376953125 6129.382089047463 953.6543404347556 -14.77520183077833 -1.107152755547505 0.122094348373383 -0.05430473140403878 # Thu 21:43:03 04-Jun-2020 begin identify mbxgpP202005110050ee[*,1851] id mbxgpP202005110050ee task identify image mbxgpP202005110050ee[*,1851] units Angstroms features 31 53.55 5162.24471 5162.285 6.0 1 1 23 91.70 5187.76475 5187.746 6.0 1 1 31 141.92 5221.34805 5221.271 6.0 1 1 17 369.75 5373.4409 5373.494 6.0 1 1 5 441.55 5421.25123 5421.352 6.0 1 1 8 553.73 5495.80132 5495.874 6.0 1 1 43 648.90 5558.88557 5558.702 6.0 1 1 55 721.28 5606.74901 5606.733 6.0 1 1 53 846.95 5689.60967 5689.6401 6.0 1 1 8 acs: add; not Ar 922.98 5739.57745 5739.52 6.0 1 1 16 1018.56 5802.21383 5802.08 6.0 1 1 8 acs: increase 1187.01 5912.06912 5912.085 6.0 1 1 47 1212.34 5928.52763 5928.8101 6.0 1 1 20 acs: add 1321.33 5999.16092 5998.999 6.0 1 1 7 acs: add 1343.62 6013.56853 6013.678 6.0 1 1 7 weak 1372.29 6032.08412 6032.127 6.0 1 1 6 1389.59 6043.24123 6043.223 6.0 1 1 170 1414.75 6059.46019 6059.373 6.0 1 1 67 1486.21 6105.42258 6105.635 6.0 1 1 33 1548.81 6145.58118 6145.441 6.0 1 1 19 1786.30 6296.92905 6296.872 6.0 1 1 18 1901.28 6369.62803 6369.575 6.0 1 1 13 1925.39 6384.82451 6384.717 6.0 1 1 9 1975.26 6416.20183 6416.307 6.0 1 1 33 2277.57 6604.80995 6604.853 6.0 1 1 164 2394.90 6677.2534 6677.282 6.0 1 1 24 2518.09 6752.83532 6752.834 6.0 1 1 434 2712.90 6871.31912 6871.289 6.0 1 1 331 2869.21 6965.41836 6965.431 6.0 1 1 316 2977.85 7030.27634 7030.251 6.0 1 1 56184 3040.05 7067.19931 7067.218 6.0 1 1 319 function chebyshev order 6 sample * naverage 1 niterate 3 low_reject 3. high_reject 3. grow 0. coefficients 10 1. 6. 53.54713821411133 3040.046630859375 6129.38442736199 953.664959079745 -14.78385700555873 -1.11335040416164 0.1214371911443084 -0.07431088060573088