Mercurial > repos > tomnl > deconrank
view test-data/target.tsv @ 4:b37f97bda760 draft
planemo upload for repository https://github.com/computational-metabolomics/dma-tools-galaxy commit d4159f1962ef3fe37dd4f3047e4050afe013c15a-dirty
author | tomnl |
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date | Thu, 03 May 2018 05:20:17 -0400 |
parents | d2940fcb7104 |
children |
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full_group_idd 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 19 133.034606664 1 1 1 NA 0 0 160509.307453 160509.307453 0.577511479221656 0.57642006152746 0.0863925241729566 14.9877719286911 0.00809140123671197 3 [M+H+K]2+ 226.106431527 1 19 114.060611798 1 1 1 NA 1 1 198789.380033 198789.380033 0.587654559853229 0.581625354213572 0.0975252976340506 16.7677177288663 0.00913408100343336 2 [M+2H]2+ 226.106431527 1 19 144.032332934 1 1 1 NA 1 1 156621.003906 156621.003906 0.900310483623927 0.896240825444777 0.106328038928419 11.8637799026452 0.0099585332633663 1 [M+Na+K]2+ 226.106431527 1 19 290.145887292 1 1 1 NA 1 1 113405.155344 113405.155344 1 0.925854656211471 0.106284520076923 11.4796117688528 0.00995445734948162 4 [M+NH4+HCOOH]+ 226.106431527 1 19 271.077737641 1 1 1 NA 1 1 450346.351974 450346.351974 0.896398380147996 0.897264000554858 0.0463581998054632 5.16661760382628 0.00434184321882661 2 [M+2Na-H]+ 226.106431527 1 19 265.069706061 1 1 1 NA 1 1 117335.705028 117335.705028 0.555694881196493 0.570564518166059 0.129812441891704 22.7515798404279 0.0121580491242543 3 [M+K]+ 226.106431527 1 19 227.113936173 1 1 1 NA 1 1 1703845.4386 1703845.4386 0.892136510414294 0.887745700978794 0.0223427314704892 2.51679410509733 0.002092588528724 2 [6][M]+ [M+H]+ 226.106431527 1 19 228.1172087 1 1 1 NA 1 1 156374.441925 156374.441925 1 0.920690114182042 0.0928882500638723 10.0889809321344 0.00869978170724752 1 [6][M+1]+ 1 19 249.09581248 1 1 1 NA 1 1 463754.661458 463754.661458 0.849385919739648 0.842945231519965 0.0479453365816815 5.68783531703814 0.00449049219739116 2 [M+Na]+ 226.106431527 1 62 296.065981413 1 1 1 NA 1 1 2118414.36513 2118414.36513 1 1 0 0 0 1 [11][M]+ [M+K]+ 257.102812544 1 62 280.092071266 1 1 1 NA 1 1 4695554.13158 4695554.13158 1 1 0 0 0 1 [9][M]+ [M+Na]+ 257.102812544 1 62 281.095366093 1 1 1 NA 1 1 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