Mercurial > repos > computational-metabolomics > mspurity_createdatabase
view test-data/dimsPredictPuritySingle_output.tsv @ 11:fa84bfaab681 draft default tip
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 94f746247c464fb270358421399810d8a9fb9e8a
| author | computational-metabolomics |
|---|---|
| date | Fri, 13 Sep 2024 13:39:28 +0000 |
| parents | f52287a06c02 |
| children |
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"mz" "present" "occurrence" "purity" "rsd_all" "blank_flag" "flags" "FULL_SCAN.mzML" "i" "medianPurity" "meanPurity" "sdPurity" "cvPurity" "sdePurity" "medianPeakNum" 58.0647876546 1 1 1 NA 1 1 113120.598252 "113120.598252" 0.613078515127758 0.626629067263995 0.149544695745243 23.8649471525777 0.0140061440232296 3 72.0804488318 1 1 1 NA 1 1 282356.694196 "282356.694196" 0.476393449015639 0.491371797539656 0.0959939418911048 19.5359079157077 0.00899065639730063 3 72.0807946804 1 1 1 NA 1 1 242795.036574 "242795.036574" 0.408868285818401 0.413678708258705 0.0963729445058641 23.2965687094523 0.00902615324445423 4 75.0913582568 1 1 1 NA 1 1 195736.137751 "195736.137751" 0.459383030656064 0.474810934372905 0.132551039182737 27.916593655915 0.0124145422608961 4 75.0916836387 1 1 1 NA 1 1 204270.938871 "204270.938871" 0.476040133259869 0.487345328966681 0.132269392840645 27.1407942128215 0.0123881636641073 4 84.0805289745 1 1 1 NA 1 1 132563.310059 "132563.310059" 0.538722764069125 0.556981810892634 0.209884767937749 37.682517423932 0.0196575095717612 5 84.0807820515 1 1 1 NA 1 1 140127.582831 "140127.582831" 0.5505876981432 0.572987236535537 0.193308605470024 33.7369828059049 0.0181050097139868 5 84.9112399606 1 1 1 NA 1 1 122855.946347 "122855.946347" 0.32276675677724 0.327703846067696 0.0947526802174731 28.9141190603846 0.00887440159010228 6 89.107296477 1 1 1 NA 1 1 175881.079205 "175881.079205" 0.727499843566072 0.723783787357409 0.179608084586012 24.8151571951861 0.0168218383668624 4 90.0548851707 1 1 1 NA 1 1 256381.32358 "256381.32358" 0.893273602686132 0.844876773288864 0.155850251606917 18.4465068201882 0.0145967134386475 4 100.075674626 1 1 1 NA 1 1 114153.352522 "114153.352522" 0.803585118260451 0.820058588023192 0.153657568870831 18.7373891469429 0.0143913498846557 2 104.106921012 1 1 1 NA 1 1 4330923.89364 "4330923.89364" 1 0.999122344752109 0.00660156470757468 0.660736369499631 0.00061829318393529 1 105.110335957 1 1 1 NA 1 1 153890.694869 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