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comparison test-data/filedb-small-mz-match-peaks-output.tsv @ 2:20d69a062da3 draft

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planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
author prog
date Thu, 02 Mar 2017 08:55:00 -0500
parents e66bb061af06
children
comparison
equal deleted inserted replaced
1:253d531a0193 2:20d69a062da3
1 "mz" "molid" "mode" "mztheo" "comp" "attr" "molcomp" "molmass" "molnames" 1 "mz" "compoundid" "msmode" "mztheo" "peakcomp" "peakattr" "compoundcomp" "compoundmass" "fullnames"
2 80.04959021 "U761" "POS" 80.049475 "P9Z5W46 O0" "[(M+H)-(NHCO)]+" "J16L6M62O" 122.04801 "Coquelicol;Paquerettol" 2 80.04959021 "U761" "POS" 80.049475 "P9Z5W46 O0" "[(M+H)-(NHCO)]+" "J16L6M62O" 122.04801 "Coquelicol;Paquerettol"
3 82.04819461 NA NA NA NA NA NA NA NA 3 82.04819461 NA NA NA NA NA NA NA NA
4 83.01343941 NA NA NA NA NA NA NA NA 4 83.01343941 NA NA NA NA NA NA NA NA
5 84.05585475 NA NA NA NA NA NA NA NA 5 84.05585475 NA NA NA NA NA NA NA NA
6 87.05536392 NA NA NA NA NA NA NA NA 6 87.05536392 NA NA NA NA NA NA NA NA