diff --git a/data/modules/percolator/DN02_Brain_1_percolator_feature_weights.tsv b/data/modules/percolator/DN02_Brain_1_percolator_feature_weights.tsv deleted file mode 100644 index 909704af..00000000 --- a/data/modules/percolator/DN02_Brain_1_percolator_feature_weights.tsv +++ /dev/null @@ -1,9 +0,0 @@ -mass peplen charge1 charge2 charge3 charge4 charge5 enzN enzC enzInt dm absdm isotope_error COMET:deltaCn COMET:deltaLCn COMET:lnExpect MS:1002252 MS:1002255 COMET:lnNumSP COMET:lnRankSP COMET:IonFrac ionb_mse_norm iony_abs_diff_Q3 iony_pearson_norm abs_diff_Q3_norm iony_max_abs_diff_norm ionb_pearson_norm iony_mean_abs_diff_norm dotprod iony_pearson iony_abs_diff_Q1_norm cos_iony std_abs_diff_norm spec_pearson min_abs_diff_iontype iony_mean_abs_diff iony_abs_diff_Q2_norm cos_ionb_norm iony_std_abs_diff_norm cos_norm cos_iony_norm std_abs_diff ionb_min_abs_diff_norm ionb_min_abs_diff iony_abs_diff_Q2 abs_diff_Q2 spec_mse_norm max_abs_diff cos_ionb spec_mse ionb_std_abs_diff_norm mean_abs_diff_norm ionb_pearson cos iony_std_abs_diff ionb_abs_diff_Q1 iony_mse_norm ionb_max_abs_diff_norm spec_spearman max_abs_diff_norm ionb_mean_abs_diff_norm spec_pearson_norm max_abs_diff_iontype abs_diff_Q2_norm ionb_abs_diff_Q2_norm iony_min_abs_diff_norm ionb_abs_diff_Q3_norm iony_spearman dotprod_ionb_norm iony_abs_diff_Q3_norm abs_diff_Q3 min_abs_diff dotprod_norm min_abs_diff_norm mean_abs_diff ionb_max_abs_diff ionb_abs_diff_Q2 dotprod_iony_norm iony_min_abs_diff iony_max_abs_diff iony_mse ionb_mean_abs_diff ionb_abs_diff_Q1_norm ionb_std_abs_diff ionb_abs_diff_Q3 abs_diff_Q1 iony_abs_diff_Q1 dotprod_ionb ionb_spearman dotprod_iony abs_diff_Q1_norm ionb_mse observed_retention_time_best rt_diff_best rt_diff observed_retention_time predicted_retention_time_best predicted_retention_time m0 -0.531 0.0470 -0.3734 0.1831 0.2507 0.1720 0.0493 0.0000 0.0000 0.0470 -0.1393 -0.4003 0.0000 0.0000 0.0000 -0.5912 -0.0629 -0.0638 0.1932 -0.1369 -0.0832 0.1746 0.0562 -0.0474 0.0066 0.3396 -0.1087 -0.3522 0.0244 0.1044 0.0610 -0.1488 0.3704 -0.7699 -0.0913 -0.4164 0.1214 0.2004 -0.6474 0.0215 0.0807 -1.3108 -0.0815 0.0301 0.0245 0.1382 0.0598 0.2683 0.0429 -0.1591 -0.4846 -0.1103 0.1741 0.9158 0.6232 -0.0438 -0.0913 0.2475 0.3639 0.0242 0.1573 0.4277 0.0069 -0.1325 -0.1234 -0.1499 -0.0352 0.0943 -0.1605 0.3356 0.0176 0.0786 -0.1676 0.0025 0.2662 -0.3982 -0.0615 -0.1681 0.0960 0.1893 0.4226 0.8831 -0.1881 0.0873 -0.2584 0.0607 0.0056 0.0038 -0.1160 0.0243 -0.1447 -0.7357 -0.8263 -2.5213 -0.8606 1.2092 -0.0995 -0.0995 -5.4004 -0.0021 0.0142 -0.7792 0.3682 0.9739 1.4388 0.8396 0.0000 0.0000 0.0142 -15.7167 -73.5902 0.0000 0.0000 0.0000 -0.1808 -0.1453 -0.0007 0.1086 -0.1183 -0.6536 0.0427 4.8454 -0.1329 0.0067 0.2168 -0.3294 -0.4870 3.6285 0.2685 0.1047 -0.4839 0.8746 -2.1974 -0.2098 -39.3063 0.1375 10.6641 -1.3144 1.3590 4.2736 -66.5175 -1.0925 271.9117 5.0651 57.0263 0.0197 3.3417 0.1499 -61.4070 -1.0159 -0.1842 0.4781 3.2065 27.8978 -20.3661 -0.0238 0.1768 1.2101 0.0175 0.2016 1.3401 0.0138 -0.1882 -0.1238 -1.6521 -0.0292 0.2737 -0.0005 0.2971 2.3113 5037.7862 -0.0003 0.1384 34.2408 -6.2462 -11.2737 -0.0005 771.5195 2.5802 126.3564 91.2017 -0.2766 4.4822 -23.0049 75.2194 3.1755 1.8641 -0.3478 3.7595 -0.3297 -241.9158 -0.0010 -0.0037 -0.0013 0.0014 -0.0003 -0.0003 -18.6864 -mass peplen charge1 charge2 charge3 charge4 charge5 enzN enzC enzInt dm absdm isotope_error COMET:deltaCn COMET:deltaLCn COMET:lnExpect MS:1002252 MS:1002255 COMET:lnNumSP COMET:lnRankSP COMET:IonFrac ionb_mse_norm iony_abs_diff_Q3 iony_pearson_norm abs_diff_Q3_norm iony_max_abs_diff_norm ionb_pearson_norm iony_mean_abs_diff_norm dotprod iony_pearson iony_abs_diff_Q1_norm cos_iony std_abs_diff_norm spec_pearson min_abs_diff_iontype iony_mean_abs_diff iony_abs_diff_Q2_norm cos_ionb_norm iony_std_abs_diff_norm cos_norm cos_iony_norm std_abs_diff ionb_min_abs_diff_norm ionb_min_abs_diff iony_abs_diff_Q2 abs_diff_Q2 spec_mse_norm max_abs_diff cos_ionb spec_mse ionb_std_abs_diff_norm mean_abs_diff_norm ionb_pearson cos iony_std_abs_diff ionb_abs_diff_Q1 iony_mse_norm ionb_max_abs_diff_norm spec_spearman max_abs_diff_norm ionb_mean_abs_diff_norm spec_pearson_norm max_abs_diff_iontype abs_diff_Q2_norm ionb_abs_diff_Q2_norm iony_min_abs_diff_norm ionb_abs_diff_Q3_norm iony_spearman dotprod_ionb_norm iony_abs_diff_Q3_norm abs_diff_Q3 min_abs_diff dotprod_norm min_abs_diff_norm mean_abs_diff ionb_max_abs_diff ionb_abs_diff_Q2 dotprod_iony_norm iony_min_abs_diff iony_max_abs_diff iony_mse ionb_mean_abs_diff ionb_abs_diff_Q1_norm ionb_std_abs_diff ionb_abs_diff_Q3 abs_diff_Q1 iony_abs_diff_Q1 dotprod_ionb ionb_spearman dotprod_iony abs_diff_Q1_norm ionb_mse observed_retention_time_best rt_diff_best rt_diff observed_retention_time predicted_retention_time_best predicted_retention_time m0 -0.534 0.0586 -0.3355 0.1605 0.2315 0.1471 0.0654 0.0000 0.0000 0.0586 -0.0535 -0.3947 0.0000 0.0000 0.0000 -0.5431 -0.0428 0.0164 0.2328 -0.1190 -0.1686 0.1439 -0.0311 0.1425 0.0273 0.1809 -0.0254 0.0046 0.0124 0.0444 0.0347 -0.1025 0.3035 -0.7425 -0.0591 -0.1919 0.0919 0.2502 -0.3481 -0.1116 0.2217 -0.6692 -0.0110 0.0525 -0.0056 0.1803 -0.1138 0.2219 0.0420 0.0814 -0.2818 -0.2482 0.1140 0.9634 0.0364 -0.0433 -0.3340 0.2340 0.5535 0.1191 -0.3853 0.2220 0.0232 -0.0089 0.0818 -0.0393 0.1191 -0.0674 -0.1240 0.1852 0.1176 0.1426 -0.1746 -0.1183 0.1087 -0.2560 -0.0745 -0.2179 -0.0087 0.5034 -0.1687 0.3845 -0.0192 -0.1652 -0.1447 0.0022 0.0182 0.0128 -0.1402 0.0089 -0.0359 0.3242 -0.2477 -1.7064 -0.9107 0.5536 -0.0685 -0.0685 -4.6134 -0.0021 0.0177 -0.7000 0.3227 0.8996 1.2301 1.1137 0.0000 0.0000 0.0177 -6.0416 -72.5647 0.0000 0.0000 0.0000 -0.1661 -0.0989 0.0002 0.1309 -0.1028 -1.3243 0.0352 -2.6812 0.3999 0.0275 0.1155 -0.0769 0.0064 1.8390 0.1142 0.0597 -0.3335 0.7167 -2.1191 -0.1359 -18.1155 0.1042 13.3101 -0.7067 -7.0647 11.7360 -33.9609 -0.1472 474.9164 -1.1672 74.3998 -0.0374 2.7634 0.1466 31.4243 -0.5908 -0.4147 0.3132 3.3729 1.6289 -20.1280 -0.0871 0.1672 1.8404 0.0859 -0.4940 0.6955 0.0465 -0.0126 0.0821 -0.4334 0.0987 -0.1956 -0.0004 0.1639 15.3983 9136.8140 -0.0003 -6.4501 13.9812 -4.0153 -13.6584 -0.0006 -69.5581 6.8624 -50.4367 39.7129 -0.0282 -8.4771 -12.8784 2.6913 10.3468 6.3312 -0.4200 1.3770 -0.0818 106.5932 -0.0003 -0.0025 -0.0013 0.0006 -0.0002 -0.0002 -21.4496 -mass peplen charge1 charge2 charge3 charge4 charge5 enzN enzC enzInt dm absdm isotope_error COMET:deltaCn COMET:deltaLCn COMET:lnExpect MS:1002252 MS:1002255 COMET:lnNumSP COMET:lnRankSP COMET:IonFrac ionb_mse_norm iony_abs_diff_Q3 iony_pearson_norm abs_diff_Q3_norm iony_max_abs_diff_norm ionb_pearson_norm iony_mean_abs_diff_norm dotprod iony_pearson iony_abs_diff_Q1_norm cos_iony std_abs_diff_norm spec_pearson min_abs_diff_iontype iony_mean_abs_diff iony_abs_diff_Q2_norm cos_ionb_norm iony_std_abs_diff_norm cos_norm cos_iony_norm std_abs_diff ionb_min_abs_diff_norm ionb_min_abs_diff iony_abs_diff_Q2 abs_diff_Q2 spec_mse_norm max_abs_diff cos_ionb spec_mse ionb_std_abs_diff_norm mean_abs_diff_norm ionb_pearson cos iony_std_abs_diff ionb_abs_diff_Q1 iony_mse_norm ionb_max_abs_diff_norm spec_spearman max_abs_diff_norm ionb_mean_abs_diff_norm spec_pearson_norm max_abs_diff_iontype abs_diff_Q2_norm ionb_abs_diff_Q2_norm iony_min_abs_diff_norm ionb_abs_diff_Q3_norm iony_spearman dotprod_ionb_norm iony_abs_diff_Q3_norm abs_diff_Q3 min_abs_diff dotprod_norm min_abs_diff_norm mean_abs_diff ionb_max_abs_diff ionb_abs_diff_Q2 dotprod_iony_norm iony_min_abs_diff iony_max_abs_diff iony_mse ionb_mean_abs_diff ionb_abs_diff_Q1_norm ionb_std_abs_diff ionb_abs_diff_Q3 abs_diff_Q1 iony_abs_diff_Q1 dotprod_ionb ionb_spearman dotprod_iony abs_diff_Q1_norm ionb_mse observed_retention_time_best rt_diff_best rt_diff observed_retention_time predicted_retention_time_best predicted_retention_time m0 -0.537 0.1776 -0.3289 0.1723 0.2160 0.1282 0.0171 0.0000 0.0000 0.1776 -0.0258 -0.3562 0.0000 0.0000 0.0000 -0.5974 -0.1294 -0.0062 0.1888 -0.0953 -0.1227 0.1997 -0.0687 0.1778 -0.0684 0.0012 -0.1009 -0.0971 0.0100 0.0120 -0.0281 -0.0813 0.1554 -0.3748 -0.0825 0.0216 0.1357 0.0931 -0.1613 0.0941 0.1438 -0.1622 0.0327 -0.1055 -0.0783 0.2366 0.0915 0.0057 0.0466 0.0328 -0.2261 -0.2789 0.0660 0.6519 0.1846 0.0047 -0.0678 0.1272 0.3797 0.1193 -0.3381 0.1287 -0.0092 -0.1217 0.0164 -0.0107 0.0510 -0.0668 -0.1690 0.0815 0.1041 -0.0330 -0.2412 0.0924 0.0519 -0.0373 -0.0314 -0.3034 0.0036 -0.0970 0.0984 0.0598 -0.1000 -0.0326 -0.0239 0.1061 -0.0201 0.0001 -0.0555 0.0103 0.0205 -0.0523 0.1406 -1.2165 -1.0520 0.3108 -0.1242 -0.1242 -3.9358 -0.0021 0.0536 -0.6862 0.3467 0.8394 1.0723 0.2919 0.0000 0.0000 0.0536 -2.9153 -65.4900 0.0000 0.0000 0.0000 -0.1827 -0.2989 -0.0001 0.1062 -0.0823 -0.9641 0.0488 -5.9297 0.4991 -0.0690 0.0008 -0.3057 -0.1343 1.4814 0.0308 -0.0482 -0.2642 0.3668 -1.0695 -0.1897 2.0354 0.1537 4.9539 -0.3275 5.9591 7.6128 -8.2309 0.4387 -954.2492 -16.2153 97.6255 0.0301 0.0705 0.1628 12.6671 -0.4740 -0.4659 0.1812 2.2824 8.2620 2.1722 -0.0177 0.0909 1.2625 0.0861 -0.4334 0.4032 -0.0185 -0.1729 0.0164 -0.1182 0.0423 -0.1939 -0.0005 0.0722 13.6391 -2114.2504 -0.0004 5.0389 6.6789 -0.5852 -5.7672 -0.0009 29.2271 -1.3224 29.4132 6.1753 -0.1470 -1.6715 -2.1315 131.4303 -11.4325 0.0678 -0.1662 1.6032 0.0468 -17.1902 0.0002 -0.0018 -0.0015 0.0004 -0.0003 -0.0003 -20.4714 diff --git a/data/modules/percolator/DN08_Thyroid_1_percolator_feature_weights.tsv b/data/modules/percolator/DN08_Thyroid_1_percolator_feature_weights.tsv deleted file mode 100644 index cc64e149..00000000 --- a/data/modules/percolator/DN08_Thyroid_1_percolator_feature_weights.tsv +++ /dev/null @@ -1,9 +0,0 @@ -mass peplen charge1 charge2 charge3 charge4 charge5 enzN enzC enzInt dm absdm isotope_error COMET:deltaCn COMET:deltaLCn COMET:lnExpect MS:1002252 MS:1002255 COMET:lnNumSP COMET:lnRankSP COMET:IonFrac cos_ionb cos_iony iony_pearson min_abs_diff_iontype ionb_mean_abs_diff_norm iony_pearson_norm iony_abs_diff_Q3_norm spec_pearson ionb_max_abs_diff_norm min_abs_diff_norm iony_spearman max_abs_diff_iontype dotprod_norm iony_abs_diff_Q1 ionb_mse abs_diff_Q2_norm abs_diff_Q1_norm iony_mse_norm ionb_std_abs_diff_norm spec_mse ionb_mean_abs_diff dotprod ionb_abs_diff_Q3_norm iony_max_abs_diff_norm ionb_abs_diff_Q2_norm iony_abs_diff_Q2_norm abs_diff_Q3_norm spec_pearson_norm iony_mean_abs_diff_norm ionb_min_abs_diff iony_max_abs_diff iony_min_abs_diff cos_norm iony_mse max_abs_diff iony_abs_diff_Q2 iony_std_abs_diff ionb_abs_diff_Q3 ionb_std_abs_diff std_abs_diff_norm iony_abs_diff_Q1_norm ionb_max_abs_diff iony_min_abs_diff_norm ionb_spearman spec_spearman dotprod_iony abs_diff_Q3 iony_std_abs_diff_norm iony_mean_abs_diff dotprod_ionb_norm dotprod_ionb abs_diff_Q2 dotprod_iony_norm cos_ionb_norm cos_iony_norm ionb_abs_diff_Q1_norm ionb_pearson iony_abs_diff_Q3 max_abs_diff_norm mean_abs_diff_norm spec_mse_norm min_abs_diff mean_abs_diff ionb_pearson_norm cos ionb_min_abs_diff_norm ionb_mse_norm ionb_abs_diff_Q1 std_abs_diff abs_diff_Q1 ionb_abs_diff_Q2 observed_retention_time_best rt_diff predicted_retention_time_best predicted_retention_time observed_retention_time rt_diff_best m0 -0.446 0.3900 -0.3090 0.1646 0.2515 0.0697 0.0770 0.0000 0.0000 0.3900 -0.8113 -0.4605 0.0000 0.0000 0.0000 -0.5843 -0.1378 -0.0811 0.2001 -0.0816 -0.1421 0.1038 -0.0456 0.0008 -0.0253 -0.4276 0.2532 -0.1031 -0.5277 0.1042 -0.0436 -0.1694 -0.0330 -0.4215 -0.0788 -0.0394 -0.1374 -0.0236 -0.0251 -0.1151 -0.0167 0.2111 0.0038 0.0163 -0.0318 0.0993 0.0283 -0.0533 -0.1333 0.1379 0.0852 -0.2800 0.0650 0.1190 0.0093 0.1352 -0.0692 0.3457 -0.0113 -0.1314 0.0562 0.0059 -0.1038 0.0353 -0.0400 0.4415 0.0061 0.0905 -0.0662 -0.0310 -0.1862 -0.0061 0.1273 -0.6360 0.2003 0.2240 0.0161 0.0504 -0.0540 -0.0221 -0.1987 0.1669 0.0779 0.1104 -0.1203 0.8210 -0.2081 0.2735 -0.0494 -0.2079 0.1023 -0.0275 -0.1625 -0.8868 -0.1306 -0.1306 0.6464 -2.1939 -3.7653 -0.0018 0.1320 -0.6205 0.3297 1.0190 0.7722 1.7776 0.0000 0.0000 0.1320 -91.9144 -89.8156 0.0000 0.0000 0.0000 -0.1844 -0.2821 -0.0008 0.1119 -0.0660 -0.9500 0.3477 -0.1425 0.0018 -0.0586 -0.5574 0.6411 -0.0994 -1.3090 0.0750 -1.9681 -0.4439 -0.0661 -0.0007 -50.5687 -19.2046 -0.2049 -0.0572 -0.0072 -0.2386 -9.4117 26.9166 0.5017 0.0137 -0.0210 0.1034 0.0357 -0.0556 -0.3666 0.2044 819.1411 -5.2716 492.4244 8.1431 3.9767 2.3158 -16.5507 20.6606 -1.1449 -9.2461 0.1300 0.0113 -2.2885 0.3388 -0.1045 1.2726 0.8508 14.0548 -0.1365 -3.5071 -0.0006 -2.4646 58.1099 -0.0021 11.9353 13.1052 0.0247 0.1221 -5.2475 -0.0157 -0.3362 0.0582 3789.3068 17.6346 -0.3187 2.5769 -2.5571 0.0716 -23.9898 -14.1380 129.2803 -5.6846 -0.0002 -0.0013 -0.0004 -0.0004 0.0008 -0.0033 -34.5724 -mass peplen charge1 charge2 charge3 charge4 charge5 enzN enzC enzInt dm absdm isotope_error COMET:deltaCn COMET:deltaLCn COMET:lnExpect MS:1002252 MS:1002255 COMET:lnNumSP COMET:lnRankSP COMET:IonFrac cos_ionb cos_iony iony_pearson min_abs_diff_iontype ionb_mean_abs_diff_norm iony_pearson_norm iony_abs_diff_Q3_norm spec_pearson ionb_max_abs_diff_norm min_abs_diff_norm iony_spearman max_abs_diff_iontype dotprod_norm iony_abs_diff_Q1 ionb_mse abs_diff_Q2_norm abs_diff_Q1_norm iony_mse_norm ionb_std_abs_diff_norm spec_mse ionb_mean_abs_diff dotprod ionb_abs_diff_Q3_norm iony_max_abs_diff_norm ionb_abs_diff_Q2_norm iony_abs_diff_Q2_norm abs_diff_Q3_norm spec_pearson_norm iony_mean_abs_diff_norm ionb_min_abs_diff iony_max_abs_diff iony_min_abs_diff cos_norm iony_mse max_abs_diff iony_abs_diff_Q2 iony_std_abs_diff ionb_abs_diff_Q3 ionb_std_abs_diff std_abs_diff_norm iony_abs_diff_Q1_norm ionb_max_abs_diff iony_min_abs_diff_norm ionb_spearman spec_spearman dotprod_iony abs_diff_Q3 iony_std_abs_diff_norm iony_mean_abs_diff dotprod_ionb_norm dotprod_ionb abs_diff_Q2 dotprod_iony_norm cos_ionb_norm cos_iony_norm ionb_abs_diff_Q1_norm ionb_pearson iony_abs_diff_Q3 max_abs_diff_norm mean_abs_diff_norm spec_mse_norm min_abs_diff mean_abs_diff ionb_pearson_norm cos ionb_min_abs_diff_norm ionb_mse_norm ionb_abs_diff_Q1 std_abs_diff abs_diff_Q1 ionb_abs_diff_Q2 observed_retention_time_best rt_diff predicted_retention_time_best predicted_retention_time observed_retention_time rt_diff_best m0 -0.582 0.2919 -0.3921 0.1897 0.3446 0.1177 0.1122 0.0000 0.0000 0.2919 -0.8937 -0.5037 0.0000 0.0000 0.0000 -0.4878 -0.1626 -0.1281 0.2704 -0.1213 -0.0631 0.0487 0.0760 -0.1590 -0.0310 -0.6715 0.3356 -0.1322 -0.9143 0.2915 -0.1036 -0.2395 -0.0771 -0.3338 -0.0901 0.1470 0.0277 -0.0344 0.1961 -0.2720 -0.0866 0.0353 0.0025 0.1991 -0.0243 0.0498 0.0268 0.0060 -0.2687 0.0631 0.0609 -0.8197 0.0656 -0.1551 -0.2606 0.5583 -0.0734 1.0467 0.0328 0.1205 -0.0299 -0.0413 -0.2826 0.0062 -0.1210 0.7237 0.0012 0.1064 -0.1399 0.1219 -0.0368 0.0040 0.1724 -0.6148 0.2046 0.3217 0.0431 0.0686 -0.1170 0.0211 -0.3998 0.2985 0.1466 0.1081 0.0002 1.3536 -0.2012 0.2699 -0.0284 -0.7764 0.0511 -0.0086 -0.0900 -0.6110 -0.1842 -0.1842 0.7164 -2.9553 -4.2294 -0.0023 0.0988 -0.7874 0.3800 1.3961 1.3049 2.5892 0.0000 0.0000 0.0988 -101.2471 -98.2519 0.0000 0.0000 0.0000 -0.1539 -0.3328 -0.0012 0.1512 -0.0982 -0.4221 0.1632 0.2376 -0.3694 -0.0719 -0.8755 0.8498 -0.1275 -2.2680 0.2100 -4.6717 -0.6273 -0.1542 -0.0006 -57.8319 71.6913 0.0413 -0.0837 0.0565 -0.5638 -48.8528 4.5024 0.3282 0.1683 -0.0161 0.0519 0.0338 0.0063 -0.7393 0.0935 585.1554 -15.4307 497.2368 -10.6087 -111.6498 9.5610 -17.5582 62.5503 3.3376 8.4800 -0.0693 -0.0790 -6.2307 0.0597 -0.3161 2.0859 0.1709 16.5303 -0.2884 13.8014 -0.0001 1.5988 78.7283 -0.0020 12.1875 18.8232 0.0664 0.1662 -11.3735 0.0150 -0.6764 0.1041 7131.2561 17.2697 0.0005 4.2486 -2.4726 0.0707 -13.7693 -52.8043 64.6424 -1.7680 -0.0001 -0.0009 -0.0005 -0.0005 0.0009 -0.0045 -23.0624 -mass peplen charge1 charge2 charge3 charge4 charge5 enzN enzC enzInt dm absdm isotope_error COMET:deltaCn COMET:deltaLCn COMET:lnExpect MS:1002252 MS:1002255 COMET:lnNumSP COMET:lnRankSP COMET:IonFrac cos_ionb cos_iony iony_pearson min_abs_diff_iontype ionb_mean_abs_diff_norm iony_pearson_norm iony_abs_diff_Q3_norm spec_pearson ionb_max_abs_diff_norm min_abs_diff_norm iony_spearman max_abs_diff_iontype dotprod_norm iony_abs_diff_Q1 ionb_mse abs_diff_Q2_norm abs_diff_Q1_norm iony_mse_norm ionb_std_abs_diff_norm spec_mse ionb_mean_abs_diff dotprod ionb_abs_diff_Q3_norm iony_max_abs_diff_norm ionb_abs_diff_Q2_norm iony_abs_diff_Q2_norm abs_diff_Q3_norm spec_pearson_norm iony_mean_abs_diff_norm ionb_min_abs_diff iony_max_abs_diff iony_min_abs_diff cos_norm iony_mse max_abs_diff iony_abs_diff_Q2 iony_std_abs_diff ionb_abs_diff_Q3 ionb_std_abs_diff std_abs_diff_norm iony_abs_diff_Q1_norm ionb_max_abs_diff iony_min_abs_diff_norm ionb_spearman spec_spearman dotprod_iony abs_diff_Q3 iony_std_abs_diff_norm iony_mean_abs_diff dotprod_ionb_norm dotprod_ionb abs_diff_Q2 dotprod_iony_norm cos_ionb_norm cos_iony_norm ionb_abs_diff_Q1_norm ionb_pearson iony_abs_diff_Q3 max_abs_diff_norm mean_abs_diff_norm spec_mse_norm min_abs_diff mean_abs_diff ionb_pearson_norm cos ionb_min_abs_diff_norm ionb_mse_norm ionb_abs_diff_Q1 std_abs_diff abs_diff_Q1 ionb_abs_diff_Q2 observed_retention_time_best rt_diff predicted_retention_time_best predicted_retention_time observed_retention_time rt_diff_best m0 -0.519 0.2746 -0.3387 0.1691 0.2912 0.0872 0.1037 0.0000 0.0000 0.2746 -0.6977 -0.4109 0.0000 0.0000 0.0000 -0.5174 -0.0936 -0.0940 0.1764 -0.0847 -0.1077 0.0868 -0.0570 -0.0568 -0.0322 -0.4900 0.3117 0.0252 -0.5256 0.2967 -0.0319 -0.1937 -0.0619 -0.3423 -0.0681 0.2336 -0.0475 0.0318 -0.1467 -0.2663 0.0679 0.1017 0.0047 0.2146 0.0340 0.1122 0.0160 -0.0167 -0.2403 0.0407 0.0645 0.0738 0.0698 0.1171 -0.1022 0.2149 -0.1410 -0.0014 0.0281 -0.0130 0.1503 -0.0136 -0.2538 0.0265 -0.0300 0.5188 0.0025 0.1142 -0.0612 0.1174 0.0444 0.0070 0.1071 -0.7131 0.0900 0.2515 0.0181 -0.0069 -0.0129 0.0173 -0.2947 -0.0627 0.0281 0.1465 0.0244 0.8827 -0.1305 0.0393 -0.0598 -0.4365 0.0988 0.0236 -0.1147 -0.8340 -0.1581 -0.1581 0.6982 -2.0512 -3.5548 -0.0021 0.0929 -0.6802 0.3388 1.1797 0.9670 2.3941 0.0000 0.0000 0.0929 -79.0444 -80.1553 0.0000 0.0000 0.0000 -0.1633 -0.1917 -0.0009 0.0986 -0.0685 -0.7200 0.2908 -0.1782 -0.1320 -0.0746 -0.6388 0.7894 0.0243 -1.3037 0.2137 -1.4391 -0.5075 -0.1238 -0.0006 -43.7397 113.9285 -0.0709 0.0772 -0.0423 -0.5521 38.3126 12.9659 0.6211 0.1814 0.0225 0.1169 0.0201 -0.0175 -0.6612 0.0602 619.7724 1.3894 529.1947 8.0101 -43.7866 3.6802 -33.6973 -0.0813 2.8560 -0.9171 0.3477 -0.0259 -5.5967 0.2543 -0.0783 1.4952 0.3473 17.7363 -0.1262 13.2935 0.0001 2.8243 48.8837 -0.0024 5.3603 14.7140 0.0278 -0.0167 -1.2526 0.0123 -0.4987 -0.0219 1367.6149 23.4056 0.0647 2.7706 -1.6038 0.0103 -29.0385 -29.6856 124.9247 4.8726 -0.0002 -0.0012 -0.0004 -0.0004 0.0009 -0.0031 -29.9858 diff --git a/data/modules/percolator/HepG2_A_percolator_feature_weights.tsv b/data/modules/percolator/HepG2_A_percolator_feature_weights.tsv new file mode 100644 index 00000000..20465c79 --- /dev/null +++ b/data/modules/percolator/HepG2_A_percolator_feature_weights.tsv @@ -0,0 +1,12 @@ +# This file contains the weights from each cross validation bin from percolator training +# First line is the feature names, followed by normalized weights, and the raw weights of bin 1 +# This is repeated for the other bins +mass peplen charge2 charge3 charge4 charge5 enzN enzC enzInt dm absdm isotope_error COMET:deltaCn COMET:deltaLCn COMET:lnExpect MS:1002252 MS:1002255 COMET:lnNumSP COMET:lnRankSP COMET:IonFrac cos_ionb ionb_std_abs_diff_norm ionb_mse_norm ionb_abs_diff_Q1_norm spec_mse iony_abs_diff_Q3 iony_std_abs_diff dotprod_ionb_norm spec_spearman max_abs_diff ionb_pearson iony_mse_norm cos_ionb_norm mean_abs_diff_norm ionb_min_abs_diff_norm abs_diff_Q1 max_abs_diff_norm spec_mse_norm ionb_max_abs_diff_norm min_abs_diff_iontype abs_diff_Q2 std_abs_diff mean_abs_diff ionb_abs_diff_Q2_norm abs_diff_Q1_norm std_abs_diff_norm cos_iony iony_abs_diff_Q2_norm ionb_max_abs_diff cos_iony_norm cos iony_pearson ionb_mse iony_min_abs_diff iony_pearson_norm iony_abs_diff_Q1 iony_abs_diff_Q2 iony_std_abs_diff_norm dotprod_norm dotprod_ionb iony_max_abs_diff_norm dotprod_iony ionb_mean_abs_diff spec_pearson ionb_std_abs_diff iony_spearman iony_min_abs_diff_norm ionb_spearman cos_norm max_abs_diff_iontype ionb_pearson_norm ionb_abs_diff_Q2 min_abs_diff_norm ionb_mean_abs_diff_norm abs_diff_Q3_norm abs_diff_Q2_norm dotprod spec_pearson_norm ionb_min_abs_diff ionb_abs_diff_Q3 abs_diff_Q3 iony_abs_diff_Q3_norm iony_mean_abs_diff_norm iony_mse iony_abs_diff_Q1_norm min_abs_diff dotprod_iony_norm iony_max_abs_diff ionb_abs_diff_Q3_norm ionb_abs_diff_Q1 iony_mean_abs_diff rt_diff predicted_retention_time observed_retention_time_best rt_diff_best observed_retention_time predicted_retention_time_best m0 +0.208 0.2016 -0.1467 0.1356 0.0462 -0.0011 0.0000 0.0000 0.2016 0.0423 -0.1078 0.0000 0.0103 0.1536 -0.2184 -0.3459 0.1174 0.1344 -0.0506 0.3703 0.1203 0.0596 -0.0802 -0.0008 0.0714 -0.0639 -0.0176 0.0656 0.8644 -0.2807 -0.1703 0.5767 0.4831 -0.2407 -0.1532 -0.0709 0.2865 0.3312 0.1301 0.0258 0.1103 0.0581 -0.0385 -0.2636 0.0046 -0.1811 -0.1005 -0.2348 0.2627 -0.0128 0.1673 0.1424 -0.1543 0.0669 0.4644 -0.0881 -0.1158 0.1855 -0.1424 -0.0017 -0.2724 -0.0364 0.0291 0.0250 -0.1048 -0.0827 -0.0103 0.2648 0.0935 -0.0265 -0.0887 -0.0045 0.0905 -0.0278 -0.0937 0.1563 -0.0268 -0.6285 -0.1767 0.0135 0.0819 -0.0414 -0.3790 0.2600 0.2029 0.0379 -0.3067 0.1388 0.3798 -0.0553 -0.0847 -0.0732 0.0634 -0.0629 -0.1170 -0.0048 0.0634 0.1489 +0.0020 0.1013 -0.3020 0.2820 0.3558 -0.0607 0.0000 0.0000 0.1013 43.7756 -160.6832 0.0000 0.0683 1.0150 -0.0606 -0.6397 0.0006 0.1574 -0.0613 1.6467 0.4053 0.1340 -0.0275 -0.0014 52.5288 -6.6611 -1.2495 0.0003 2.4272 -6.0789 -0.3978 0.1521 33.4805 -0.3696 -0.5953 -80.0958 0.1713 0.1124 0.0899 0.0554 46.2094 4.6557 -6.1353 -0.3239 0.0123 -0.3616 -0.2887 -0.2711 6.7655 -0.6357 0.5312 0.3011 -114.1282 84.4422 1.0285 -42.9314 -27.5045 0.3156 -0.0003 -0.5584 -0.1574 -10.1824 4.3718 0.0641 -8.5042 -0.1947 -0.0380 0.7557 5.5890 -0.0554 -0.2312 -1.4040 0.8347 -0.0381 -0.0915 0.2326 -5.2889 -1.7151 -288.6851 1.8951 12.4151 -0.0340 -0.4901 167.9130 0.3639 191.4474 -0.0013 3.1344 0.3640 -37.1251 -10.6126 -0.0001 0.0001 -0.0005 -0.0002 -0.0000 0.0001 -41.9566 +mass peplen charge2 charge3 charge4 charge5 enzN enzC enzInt dm absdm isotope_error COMET:deltaCn COMET:deltaLCn COMET:lnExpect MS:1002252 MS:1002255 COMET:lnNumSP COMET:lnRankSP COMET:IonFrac cos_ionb ionb_std_abs_diff_norm ionb_mse_norm ionb_abs_diff_Q1_norm spec_mse iony_abs_diff_Q3 iony_std_abs_diff dotprod_ionb_norm spec_spearman max_abs_diff ionb_pearson iony_mse_norm cos_ionb_norm mean_abs_diff_norm ionb_min_abs_diff_norm abs_diff_Q1 max_abs_diff_norm spec_mse_norm ionb_max_abs_diff_norm min_abs_diff_iontype abs_diff_Q2 std_abs_diff mean_abs_diff ionb_abs_diff_Q2_norm abs_diff_Q1_norm std_abs_diff_norm cos_iony iony_abs_diff_Q2_norm ionb_max_abs_diff cos_iony_norm cos iony_pearson ionb_mse iony_min_abs_diff iony_pearson_norm iony_abs_diff_Q1 iony_abs_diff_Q2 iony_std_abs_diff_norm dotprod_norm dotprod_ionb iony_max_abs_diff_norm dotprod_iony ionb_mean_abs_diff spec_pearson ionb_std_abs_diff iony_spearman iony_min_abs_diff_norm ionb_spearman cos_norm max_abs_diff_iontype ionb_pearson_norm ionb_abs_diff_Q2 min_abs_diff_norm ionb_mean_abs_diff_norm abs_diff_Q3_norm abs_diff_Q2_norm dotprod spec_pearson_norm ionb_min_abs_diff ionb_abs_diff_Q3 abs_diff_Q3 iony_abs_diff_Q3_norm iony_mean_abs_diff_norm iony_mse iony_abs_diff_Q1_norm min_abs_diff dotprod_iony_norm iony_max_abs_diff ionb_abs_diff_Q3_norm ionb_abs_diff_Q1 iony_mean_abs_diff rt_diff predicted_retention_time observed_retention_time_best rt_diff_best observed_retention_time predicted_retention_time_best m0 +0.413 0.1630 -0.0540 0.0804 -0.0965 0.0027 0.0000 0.0000 0.1630 0.0850 -0.2538 0.0000 0.2120 -0.2657 -0.1885 -0.1371 0.3177 0.0449 -0.0204 -0.2812 0.0814 -0.2428 -0.0704 -0.1176 0.0713 -0.2060 -0.7177 -0.2234 0.2066 -0.1169 -0.2464 -0.0477 -0.1292 -0.0540 -0.1350 -0.0490 0.1930 -0.0655 0.1124 -0.0603 0.2183 0.5477 0.3539 -0.1394 -0.0749 -0.6382 0.3423 -0.1194 0.2146 0.1067 -0.2469 -0.2074 -0.0627 0.1348 0.1154 -0.0532 -0.3859 0.2263 -0.3034 -0.0576 0.2090 -0.0864 0.2260 0.5948 -0.6742 0.0597 -0.0614 -0.0563 0.0985 -0.0312 0.1577 -0.2031 0.1097 0.1764 0.2899 -0.1100 -0.0963 -0.4017 0.0094 -0.0185 0.1144 -0.0653 -0.2571 0.1799 0.1973 0.0051 -0.3398 -0.0330 0.0474 -0.1026 0.3677 -0.1584 -0.0417 0.1079 -0.3451 -0.0169 -0.0417 -0.0337 +0.0040 0.0819 -0.1111 0.1672 -0.7432 0.1510 0.0000 0.0000 0.0819 87.9990 -378.0734 0.0000 1.4003 -1.7562 -0.0523 -0.2536 0.0015 0.0525 -0.0247 -1.2508 0.2744 -0.5456 -0.0241 -0.2129 52.4516 -21.4701 -50.8039 -0.0011 0.5802 -2.5325 -0.5758 -0.0126 -8.9563 -0.0830 -0.5246 -55.3060 0.1154 -0.0222 0.0776 -0.1295 91.4627 43.8851 56.4711 -0.1713 -0.1996 -1.2744 0.9839 -0.1378 5.5274 5.3039 -0.7840 -0.4385 -46.4017 170.0847 0.2555 -25.8927 -91.6656 0.3850 -0.0007 -18.5396 0.1208 -24.1496 33.9640 1.5257 -54.7237 0.1407 -0.2265 -0.1608 5.8857 -0.0654 0.4110 -62.8736 1.0124 0.2421 0.2830 -0.1637 -19.0255 -1.0963 15.3264 -2.6039 17.3484 -0.0537 -0.3325 116.1907 0.3538 25.9713 -0.0014 -0.7441 0.0454 -68.9112 46.0835 -0.0003 -0.0001 0.0008 -0.0006 -0.0001 -0.0001 -2.8988 +mass peplen charge2 charge3 charge4 charge5 enzN enzC enzInt dm absdm isotope_error COMET:deltaCn COMET:deltaLCn COMET:lnExpect MS:1002252 MS:1002255 COMET:lnNumSP COMET:lnRankSP COMET:IonFrac cos_ionb ionb_std_abs_diff_norm ionb_mse_norm ionb_abs_diff_Q1_norm spec_mse iony_abs_diff_Q3 iony_std_abs_diff dotprod_ionb_norm spec_spearman max_abs_diff ionb_pearson iony_mse_norm cos_ionb_norm mean_abs_diff_norm ionb_min_abs_diff_norm abs_diff_Q1 max_abs_diff_norm spec_mse_norm ionb_max_abs_diff_norm min_abs_diff_iontype abs_diff_Q2 std_abs_diff mean_abs_diff ionb_abs_diff_Q2_norm abs_diff_Q1_norm std_abs_diff_norm cos_iony iony_abs_diff_Q2_norm ionb_max_abs_diff cos_iony_norm cos iony_pearson ionb_mse iony_min_abs_diff iony_pearson_norm iony_abs_diff_Q1 iony_abs_diff_Q2 iony_std_abs_diff_norm dotprod_norm dotprod_ionb iony_max_abs_diff_norm dotprod_iony ionb_mean_abs_diff spec_pearson ionb_std_abs_diff iony_spearman iony_min_abs_diff_norm ionb_spearman cos_norm max_abs_diff_iontype ionb_pearson_norm ionb_abs_diff_Q2 min_abs_diff_norm ionb_mean_abs_diff_norm abs_diff_Q3_norm abs_diff_Q2_norm dotprod spec_pearson_norm ionb_min_abs_diff ionb_abs_diff_Q3 abs_diff_Q3 iony_abs_diff_Q3_norm iony_mean_abs_diff_norm iony_mse iony_abs_diff_Q1_norm min_abs_diff dotprod_iony_norm iony_max_abs_diff ionb_abs_diff_Q3_norm ionb_abs_diff_Q1 iony_mean_abs_diff rt_diff predicted_retention_time observed_retention_time_best rt_diff_best observed_retention_time predicted_retention_time_best m0 +-0.092 0.0909 0.0841 -0.0862 0.0053 -0.0018 0.0000 0.0000 0.0909 0.0913 -0.0655 0.0000 0.0199 0.0205 -0.3014 -0.2629 0.5784 0.0712 -0.0263 -0.0661 0.1448 0.0328 -0.2316 -0.1910 0.0653 -0.1519 0.0655 0.2218 0.6020 0.6606 -0.1558 0.2533 -0.0113 -0.8993 -0.0509 -0.4087 0.0899 0.0483 -0.0563 -0.0065 -0.2928 -0.9503 0.1514 0.3076 0.1817 0.2337 -0.0126 0.2682 0.3336 0.1820 0.2106 -0.1940 0.2386 0.1548 0.1145 0.0359 -0.1774 0.6176 -0.1353 0.0455 -0.1626 -0.1214 0.3375 0.2057 -0.7298 0.3171 0.0153 0.3874 -0.1965 -0.0022 -0.1230 0.0082 0.2301 -0.3007 -0.4313 0.3047 -0.0578 -0.6464 -0.0406 -0.1633 0.2712 0.4306 -1.2309 -0.0936 0.2118 0.1333 -0.4294 0.1291 0.7155 0.1069 -0.0435 -0.1117 -0.0898 -0.1550 0.2369 0.1970 -0.0898 0.1151 +-0.0009 0.0457 0.1731 -0.1793 0.0408 -0.1010 0.0000 0.0000 0.0457 94.5858 -97.6246 0.0000 0.1314 0.1357 -0.0836 -0.4862 0.0027 0.0834 -0.0319 -0.2941 0.4881 0.0737 -0.0794 -0.3457 48.0508 -15.8307 4.6394 0.0011 1.6905 14.3060 -0.3640 0.0668 -0.7835 -1.3812 -0.1976 -461.5797 0.0538 0.0164 -0.0388 -0.0140 -122.6835 -76.1385 24.1565 0.3779 0.4842 0.4667 -0.0362 0.3098 8.5900 9.0484 0.6687 -0.4102 176.5348 195.3669 0.2535 17.5103 -42.1369 1.0509 -0.0003 14.6614 -0.0939 -33.9469 50.7262 0.5277 -59.2353 0.7468 0.0564 1.1056 -11.7480 -0.0046 -0.3206 2.5431 2.1229 -0.4127 -0.4211 0.4535 -11.4114 -1.7641 -66.4127 -22.9524 41.1242 0.3540 -1.5918 -60.4553 0.3798 673.7560 -0.0018 2.9154 0.6856 71.7721 -5.4573 -0.0002 -0.0001 -0.0012 0.0004 0.0015 -0.0001 2.6506