Mercurial > repos > tomnl > deconrank
view test-data/camera_annotated_peaklist.txt @ 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 |
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"peakID" "mz" "present" "occurrence" "purity" "rsd_all" "blank_flag" "flags" "A02_Polar_Daph_WAX1_Phenyl_LCMS_Pos_DIMS.mzML" "i" "medianPurity" "meanPurity" "sdPurity" "cvPurity" "sdePurity" "medianPeakNum" "isotopes" "adduct" "pcgroup" 1 58.0647876546 1 1 1 NA 1 1 113120.598252 113120.598252 0.650297101971366 0.661675137604648 0.144567540128869 21.8487187915542 0.0135399906899966 3 "" "[M+H]+ 57.0573988997" 1 2 72.0804488318 1 1 1 NA 1 1 282356.694196 282356.694196 0.480275416705184 0.499848378822793 0.0926487967352662 18.5353800593424 0.0087156656519495 2 "" "" 1 3 72.0807946804 1 1 1 NA 1 1 242795.036574 242795.036574 0.41955367613116 0.422328382104617 0.101202826796198 23.9630654922759 0.00947851316692791 4 "" "" 1 4 75.0913582568 1 1 1 NA 1 1 195736.137751 195736.137751 0.466120134592037 0.476670534059967 0.122540961673002 25.7076854802159 0.011579032500195 3 "" "[M+NH4]+ 57.0573988997" 1 5 75.0916836387 1 1 1 NA 1 1 204270.938871 204270.938871 0.483213272928783 0.496497104650442 0.134595991037886 27.1091190214791 0.0126060695501861 4 "" "[M+NH4]+ 57.0573988997" 1 6 84.0805289745 1 1 1 NA 1 1 132563.310059 132563.310059 0.53345520994059 0.562786151325207 0.208164022455004 36.9881209700763 0.0196696512616716 5 "" "[M+H]+ 83.0757855264" 1 7 84.0807820515 1 1 1 NA 1 1 140127.582831 140127.582831 0.550129098951634 0.582337931336116 0.195060472566797 33.4960960072188 0.0184314821796601 5 "" "[M+H]+ 83.0757855264" 1 8 84.9112399606 1 1 1 NA 1 1 122855.946347 122855.946347 0.333650592042918 0.337710194518914 0.0973721911651931 28.8330624143298 0.00911974126879402 6 "" "" 1 9 84.9597008445 1 1 1 NA 0 0 128861.050071 128861.050071 0.352660707058722 0.344859541361498 0.106105153885631 30.7676433909093 0.00993765816649743 5 "" "[M+H]+ 83.9560037543" 1 10 86.9926795566 1 1 1 NA 0 0 221315.525773 221315.525773 0.710098169117521 0.676837913526819 0.154073099439907 22.7636626673399 0.0144302678881832 2 "" "" 1 11 89.107296477 1 1 1 NA 1 1 175881.079205 175881.079205 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