Mercurial > repos > tomnl > deconrank
view test-data/scores.tsv @ 14:5b0eceae2d6c draft
planemo upload for repository https://github.com/computational-metabolomics/dma-tools-galaxy commit 2864a500a25e87f292f185872b92ecfe5800dea1
| author | tomnl |
|---|---|
| date | Fri, 04 May 2018 12:49:30 -0400 |
| parents | 00ce47ca8379 |
| children |
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peakID mz intensity isotopes adduct groupid bestAdductScore clustn medianPurity intp addp clustnp pp intensityw adductw clustnw purityw totalS excluded excludedFinal 93 227.113936173 1703845.4386 [6][M]+ [M+H]+ 226.106431527 19 1.0 9.0 0.892136510414294 21.29266034202859 100.0 100.0 89.2136510414294 6.387798102608577 30.0 20.0 17.842730208285882 74.23052831089447 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 4.033458553778469 30.0 15.0 20.0 69.03345855377847 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 68.10680764423891 0 0 41 138.055002848 1378587.42544 [3][M]+ [M+H]+ 137.046008617 32 1.0 6.0 0.939777143694279 16.95203775289677 100.0 62.5 93.9777143694279 5.085611325869031 30.0 12.5 18.79554287388558 66.3811541997546 0 0 59 162.112529688 2485050.31798 [4][M]+ [M+H]+ 161.105236728 40 1.0 3.0 1.0 31.71797012373956 100.0 25.0 100.0 9.515391037121868 30.0 5.0 20.0 64.51539103712187 0 0 66 175.119016145 7601661.33772 [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 84.0807820515 140127.582831 [M+H]+ 83.0757855264 4 1.0 7.0 0.550129098951634 0.4245840052257841 100.0 75.0 55.012909895163396 0.1273752015677352 30.0 15.0 11.00258197903268 56.12995718060042 0 0 85 213.074881303 338210.636924 [M+H]+ 212.067595248 53 1.0 2.0 1.0 3.068035493990008 100.0 12.5 100.0 0.9204106481970024 30.0 2.5 20.0 53.420410648197006 0 0 98 238.04512725 137101.655687 [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 52.61526075040937 0 0 88 217.179795222 108312.020173 [M+H]+ 216.175933806 55 1.0 7.0 0.338242133738475 0.0 100.0 75.0 33.8242133738475 0.0 30.0 15.0 6.7648426747695005 51.7648426747695 1 1 91 221.018563923 259831.16276 [M+H]+ 220.011292005 58 1.0 2.0 0.924648915593917 2.0220483013142228 100.0 12.5 92.4648915593917 0.6066144903942668 30.0 2.5 18.492978311878343 51.59959280227261 0 0 70 178.058702837 256024.959293 [M+H]+ 177.051433819 47 1.0 3.0 0.799332380184091 1.9712538794114947 100.0 25.0 79.9332380184091 0.5913761638234484 30.0 5.0 15.98664760368182 51.578023767505265 0 0 45 146.117592527 683848.086623 [M+H+NH4]2+ 273.200318137 33 2.0 2.0 0.926768818620773 7.680625072452991 90.0 12.5 92.6768818620773 2.3041875217358974 27.0 2.5 18.53537637241546 50.339563894151354 0 0 5 75.0916836387 204270.938871 [M+NH4]+ 57.0573988997 1 1.0 5.0 0.483213272928783 1.2805878203661911 100.0 50.0 48.3213272928783 0.38417634610985735 30.0 10.0 9.664265458575661 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 0.07243214051145773 27.0 2.5 20.0 49.57243214051146 0 0 54 158.964093617 153295.048061 [M+Na]+ 135.974832386 [M+H]+ 157.956786205 10 1.0 4.0 0.549270675100352 0.6003060311450357 100.0 37.5 54.9270675100352 0.18009180934351068 30.0 7.5 10.985413502007042 48.66550531135055 0 0 18 104.106921012 4330923.89364 [1][M]+ 15 8.0 2.0 1.0 56.351461736596335 30.0 12.5 100.0 16.9054385209789 9.0 2.5 20.0 48.405438520978905 0 0 28 116.985932133 339563.880208 [M+H]+ 115.980254666 24 1.0 2.0 0.736239003902325 3.086094751962023 100.0 12.5 73.6239003902325 0.9258284255886069 30.0 2.5 14.724780078046502 48.150608503635105 0 0 65 169.094771268 311290.046327 [M+H]+ 168.087492769 45 1.0 3.0 0.434322943716433 2.7087757096641836 100.0 25.0 43.4322943716433 0.8126327128992551 30.0 5.0 8.686458874328661 44.49909158722792 0 0 48 148.060459626 116024.97526 [M+H]+ 147.056483867 34 1.0 2.0 0.570580018375097 0.10293067572518957 100.0 12.5 57.0580018375097 0.03087920271755687 30.0 2.5 11.41160036750194 43.9424795702195 0 0 73 185.114838196 147387.696087 [M+H]+ 184.104369884 22 1.0 2.0 0.509211155867994 0.5214714309727614 100.0 12.5 50.9211155867994 0.15644142929182842 30.0 2.5 10.184223117359881 42.84066454665171 0 0 87 217.107029308 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