Mercurial > repos > tomnl > mspurity_createmsp

comparison test-data/combineAnnotations_input_probmetab.tsv @ 12:5dd61e94d70d draft

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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit bbbcc75d51c020446fd00d76f908a6250266cfea
author tomnl
date Fri, 13 Sep 2019 11:53:46 -0400
parents df2efceff4cd
children
comparison
equal deleted inserted replaced
11:4b3b0f5a55d9 12:5dd61e94d70d
1 name namecustom mz mzmin mzmax rt rtmin rtmax npeaks BLANK.P.WAX.2.AMD.0.LC.MS.POSITIVE ANIMAL.P.WAX.2.AMD.0.LC.MS.POSITIVE ANIMAL.P.WAX.2.AMD.0.LC.MSMS.POSITIVE isotopes adduct pcgroup propmz mpc proba 1 name namecustom mz mzmin mzmax rt rtmin rtmax npeaks BLANK.P.WAX.2.AMD.0.LC.MS.POSITIVE ANIMAL.P.WAX.2.AMD.0.LC.MS.POSITIVE ANIMAL.P.WAX.2.AMD.0.LC.MSMS.POSITIVE isotopes adduct pcgroup propmz mpc proba
2 M106T43 104.106973271895 104.106955287478 104.106991256313 359.862889 359.826504 359.899274 2 0 0 2 [2][M]+ 22 NA NA NA 2 M116T48 104.106973271895 104.106955287478 104.106991256313 359.862889 359.826504 359.899274 2 0 0 2 [2][M]+ 22 NA NA NA
3 M107T71 104.107030464189 104.106984676963 104.107042846235 371.788312 370.845046 376.205158 3 0 3 0 [1][M]+ 21 NA NA NA 3 M107T71 104.107030464189 104.106984676963 104.107042846235 371.788312 370.845046 376.205158 3 0 3 0 [1][M]+ 21 NA NA NA
4 M108T47 104.992236979634 104.992192750892 104.99227099396 459.515063 456.526458 463.963424 6 0 5 1 [M+Na]+ 82.003 3 NA NA NA 4 M108T47 104.992236979634 104.992192750892 104.99227099396 459.515063 456.526458 463.963424 6 0 5 1 [M+Na]+ 82.003 3 NA NA NA
5 M110T48 105.089907268842 105.089885488134 105.089975689328 175.613778 173.474062 181.67533 3 0 1 2 2 NA NA NA 5 M110T48 105.089907268842 105.089885488134 105.089975689328 175.613778 173.474062 181.67533 3 0 1 2 2 NA NA NA
6 M111T91 105.11025140006 105.110231257297 105.110271542824 359.862889 359.826504 359.899274 2 0 0 2 [2][M+1]+ 22 NA NA NA 6 M111T91 105.11025140006 105.110231257297 105.110271542824 359.862889 359.826504 359.899274 2 0 0 2 [2][M+1]+ 22 NA NA NA
7 M112T55 105.110283962945 105.110239712615 105.110299928917 371.788312 370.845046 376.205158 3 0 3 0 [1][M+1]+ 21 NA NA NA 7 M112T55 105.110283962945 105.110239712615 105.110299928917 371.788312 370.845046 376.205158 3 0 3 0 [1][M+1]+ 21 NA NA NA