Mercurial > repos > tomnl > deconrank
view test-data/scores.tsv @ 0:d2940fcb7104 draft
planemo upload for repository https://github.com/computational-metabolomics/dma-tools-galaxy commit c1bd2ee95a9cf5333b1ef4c367902520b110b574-dirty
| author | tomnl |
|---|---|
| date | Thu, 12 Oct 2017 11:21:34 -0400 |
| parents | |
| children | 00ce47ca8379 |
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peakID mz intensity isotopes adduct groupid bestAdductScore clustn medianPurity intp addp clustnp pp intensityw adductw clustnw purityw totalS excluded excludedFinal 93 227.11393617300001 1703845.4386 [6][M]+ [M+H]+ 226.106431527 19 1.0 9.0 0.89213651041429398 21.29266034202859 100.0 100.0 89.213651041429401 6.3877981026085768 30.0 20.0 17.842730208285882 74.230528310894471 0 0 106 258.11005415 1115782.48355 [8][M]+ [M+H]+ 257.102812544 62 1.0 7.0 1.0 13.44486184592823 100.0 75.0 100.0 4.0334585537784688 30.0 15.0 20.0 69.033458553778473 0 0 30 118.086249301 2757662.51425 [2][M]+ [M+H]+ 117.079749819 26 1.0 4.0 1.0 35.35602548079639 100.0 37.5 100.0 10.606807644238916 30.0 7.5 20.0 68.106807644238913 0 0 41 138.05500284799999 1378587.4254399999 [3][M]+ [M+H]+ 137.046008617 32 1.0 6.0 0.939777143694279 16.952037752896771 100.0 62.5 93.9777143694279 5.0856113258690314 30.0 12.5 18.79554287388558 66.381154199754604 0 0 59 162.112529688 2485050.3179799998 [4][M]+ [M+H]+ 161.105236728 40 1.0 3.0 1.0 31.717970123739558 100.0 25.0 100.0 9.5153910371218675 30.0 5.0 20.0 64.515391037121873 0 0 66 175.11901614499999 7601661.3377200002 [5][M]+ 46 8.0 2.0 1.0 100.0 30.0 12.5 100.0 30.0 9.0 2.5 20.0 61.5 0 0 7 84.080782051499995 140127.58283100001 [M+H]+ 83.0757855264 4 1.0 7.0 0.55012909895163398 0.4245840052257841 100.0 75.0 55.012909895163396 0.12737520156773521 30.0 15.0 11.00258197903268 56.129957180600421 0 0 85 213.07488130300001 338210.63692399999 [M+H]+ 212.067595248 53 1.0 2.0 1.0 3.0680354939900081 100.0 12.5 100.0 0.92041064819700236 30.0 2.5 20.0 53.420410648197006 0 0 98 238.04512725000001 137101.65568699999 [M+NH4]+ 220.011292005 [M+H]+ 237.037818099 63 1.0 2.0 1.0 0.38420250136456313 100.0 12.5 100.0 0.11526075040936894 30.0 2.5 20.0 52.615260750409369 0 0 88 217.179795222 108312.020173 [M+H]+ 216.175933806 55 1.0 7.0 0.338242133738475 0.0 100.0 75.0 33.824213373847499 0.0 30.0 15.0 6.7648426747695005 51.764842674769497 1 1 91 221.01856392299999 259831.16276000001 [M+H]+ 220.011292005 58 1.0 2.0 0.92464891559391704 2.0220483013142228 100.0 12.5 92.464891559391702 0.60661449039426685 30.0 2.5 18.492978311878343 51.59959280227261 0 0 70 178.058702837 256024.95929299999 [M+H]+ 177.051433819 47 1.0 3.0 0.79933238018409103 1.9712538794114947 100.0 25.0 79.933238018409099 0.59137616382344838 30.0 5.0 15.986647603681821 51.578023767505265 0 0 45 146.117592527 683848.08662299998 [M+H+NH4]2+ 273.200318137 33 2.0 2.0 0.92676881862077298 7.6806250724529912 90.0 12.5 92.676881862077295 2.3041875217358974 27.0 2.5 18.53537637241546 50.339563894151354 0 0 5 75.091683638700005 204270.93887099999 [M+NH4]+ 57.0573988997 1 1.0 5.0 0.48321327292878302 1.2805878203661911 100.0 50.0 48.321327292878301 0.38417634610985735 30.0 10.0 9.6642654585756613 50.048441804685524 0 0 63 168.076780942 126403.997862 [M+H+NH4]2+ 317.107842953 43 2.0 2.0 1.0 0.24144046837152577 90.0 12.5 100.0 0.072432140511457729 27.0 2.5 20.0 49.572432140511459 0 0 54 158.964093617 153295.04806100001 [M+Na]+ 135.974832386 [M+H]+ 157.956786205 10 1.0 4.0 0.54927067510035199 0.60030603114503567 100.0 37.5 54.927067510035201 0.18009180934351068 30.0 7.5 10.985413502007042 48.66550531135055 0 0 18 104.106921012 4330923.8936400004 [1][M]+ 15 8.0 2.0 1.0 56.351461736596335 30.0 12.5 100.0 16.905438520978901 9.0 2.5 20.0 48.405438520978905 0 0 28 116.98593213300001 339563.88020800002 [M+H]+ 115.980254666 24 1.0 2.0 0.736239003902325 3.086094751962023 100.0 12.5 73.623900390232507 0.9258284255886069 30.0 2.5 14.724780078046502 48.150608503635105 0 0 65 169.09477126799999 311290.04632700002 [M+H]+ 168.087492769 45 1.0 3.0 0.43432294371643299 2.7087757096641836 100.0 25.0 43.432294371643302 0.81263271289925509 30.0 5.0 8.686458874328661 44.499091587227923 0 0 48 148.06045962600001 116024.97526000001 [M+H]+ 147.056483867 34 1.0 2.0 0.57058001837509698 0.10293067572518957 100.0 12.5 57.0580018375097 0.03087920271755687 30.0 2.5 11.41160036750194 43.942479570219497 0 0 73 185.11483819599999 147387.69608699999 [M+H]+ 184.104369884 22 1.0 2.0 0.50921115586799404 0.52147143097276139 100.0 12.5 50.921115586799402 0.15644142929182842 30.0 2.5 10.184223117359881 42.840664546651709 0 0 87 217.10702930799999 117428.487419 [M+H]+ 216.099775426 54 1.0 2.0 0.36063682990329599 0.12166078024218334 100.0 12.5 36.063682990329596 0.036498234072654998 30.0 2.5 7.2127365980659199 39.749234832138569 1 1 9 84.959700844500006 128861.05007100001 [M+H]+ 83.9560037543 6 1.0 2.0 0.35266070705872199 0.27423024107365218 100.0 12.5 35.266070705872195 0.082269072322095654 30.0 2.5 7.0532141411744398 39.635483213496535 1 1 115 280.092071266 4695554.1315799998 [9][M]+ [M+Na]+ 257.102812544 NA 11.0 1.0 1.0 61.217513250919218 0.0 0.0 100.0 18.365253975275763 0.0 0.0 20.0 38.365253975275763 1 1 50 155.042743683 114733.116039 [M+H]+ 154.035454317 36 1.0 2.0 0.28091849963283999 0.085690598341170002 100.0 12.5 28.091849963283998 0.025707179502351001 30.0 2.5 5.6183699926567998 38.14407717215915 1 1 46 147.076446266 264800.86074600002 [M+NH4]+ 129.042615426 31 1.0 2.0 0.17602945932726699 2.088369752182162 100.0 12.5 17.602945932726698 0.62651092565464861 30.0 2.5 3.5205891865453398 36.647100112199986 1 1 77 197.10094572400001 867855.23081099999 49 8.0 1.0 1.0 10.13623118916124 30.0 0.0 100.0 3.040869356748372 9.0 0.0 20.0 32.040869356748374 0 0 126 304.16152525799998 419869.29057000001 70 8.0 1.0 1.0 4.1577838853372775 30.0 0.0 100.0 1.2473351656011833 9.0 0.0 20.0 30.247335165601182 0 0 121 292.19794456800003 284733.86986600002 68 8.0 1.0 1.0 2.354379092936147 30.0 0.0 100.0 0.70631372788084412 9.0 0.0 20.0 29.706313727880843 0 0 122 295.03584528499999 165469.13318899999 69 8.0 1.0 1.0 0.76277123344772568 30.0 0.0 100.0 0.22883137003431769 9.0 0.0 20.0 29.228831370034317 0 0 62 164.029436874 119773.759668 42 8.0 1.0 1.0 0.15295883068149932 30.0 0.0 100.0 0.045887649204449793 9.0 0.0 20.0 29.045887649204449 0 0 131 360.32366140300002 113707.860095 72 8.0 1.0 1.0 0.072008386281481471 30.0 0.0 100.0 0.021602515884444441 9.0 0.0 20.0 29.021602515884446 0 0 109 262.13966658300001 112895.448374 64 8.0 1.0 1.0 0.061166615978613142 30.0 0.0 100.0 0.018349984793583941 9.0 0.0 20.0 29.018349984793584 0 0 132 364.05345449100002 111448.034526 73 8.0 1.0 1.0 0.041850636078802239 30.0 0.0 100.0 0.012555190823640672 9.0 0.0 20.0 29.01255519082364 0 0 80 203.05265915199999 333508.398575 51 8.0 1.0 0.93738958950552798 3.0052833367138367 30.0 0.0 93.738958950552799 0.90158500101415096 9.0 0.0 18.747791790110561 28.649376791124713 0 0 21 110.07127541 307519.79221500002 17 8.0 1.0 0.94100637923586805 2.6584610379169149 30.0 0.0 94.100637923586802 0.79753831137507447 9.0 0.0 18.820127584717362 28.617665896092436 0 0 90 219.08285803499999 946967.95339899999 57 8.0 1.0 0.81032224259343599 11.192003704700369 30.0 0.0 81.032224259343593 3.3576011114101108 9.0 0.0 16.206444851868721 28.564045963278833 0 0 16 101.00833759 548839.58799300005 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0.27051611836822465 9.0 0.0 15.146046643149422 24.416562761517646 0 0 10 86.992679556599995 221315.525773 7 8.0 1.0 0.71009816911752099 1.5080506834958616 30.0 0.0 71.009816911752097 0.45241520504875843 9.0 0.0 14.201963382350421 23.654378587399179 0 0 97 237.14427578799999 113584.923135 60 8.0 1.0 0.72563065964385098 0.070367771987521976 30.0 0.0 72.563065964385103 0.021110331596256592 9.0 0.0 14.512613192877021 23.533723524473277 0 0 31 119.01893769599999 293270.20600300003 27 8.0 1.0 0.67889127456731801 2.4682979264944689 30.0 0.0 67.889127456731799 0.74048937794834069 9.0 0.0 13.57782549134636 23.318314869294699 0 0 117 285.18249618800002 1029922.3070199999 [10][M]+ [M+Na+HCOOH]+ 216.175933806 NA 11.0 1.0 0.94976126129275795 12.299043428936201 0.0 0.0 94.976126129275798 3.6897130286808602 0.0 0.0 18.995225225855162 22.684938254536021 1 1 114 276.15537408699998 136931.07061299999 66 8.0 1.0 0.65997971069565997 0.3819260150195245 30.0 0.0 65.997971069565992 0.11457780450585735 9.0 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