Mercurial > repos > tomnl > mspurity_createmsp
diff test-data/spectralMatching_xcms_matched_results.tsv @ 12:5dd61e94d70d draft
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 | 70257c77ea04 |
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--- a/test-data/spectralMatching_xcms_matched_results.tsv Thu Jun 27 12:34:09 2019 -0400 +++ b/test-data/spectralMatching_xcms_matched_results.tsv Fri Sep 13 11:53:46 2019 -0400 @@ -1,2 +1,3 @@ -"dpc" "rdpc" "cdpc" "mcount" "allcount" "mpercent" "accession" "name" "inchikey" "lpid" "qpid" "mid" -0.942265459948335 0.996860823822942 0.753812367958668 1 4 0.25 "PR100037" "Uracil; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+" "ISAKRJDGNUQOIC-UHFFFAOYSA-N" 1 1664 1 +"lpid" "qpid" "mid" "dpc" "rdpc" "cdpc" "mcount" "allcount" "mpercent" "library_rt" "query_rt" "rtdiff" "library_precursor_mz" "query_precursor_mz" "library_precursor_ion_purity" "query_precursor_ion_purity" "library_accession" "library_precursor_type" "library_entry_name" "inchikey" "library_source_name" "library_compound_name" +56653 1663 1 0.942265461847349 0.996860823822942 0.753812369477879 1 4 0.25 NA 80.50932 NA "113.03508" 113.035283604395 NA 1 "PR100037" "[M+H]+" "Uracil" "ISAKRJDGNUQOIC-UHFFFAOYSA-N" "massbank" "Uracil" +56653 1664 2 0.942265461847349 0.996860823822942 0.753812369477879 1 4 0.25 NA 80.50932 NA "113.03508" 113.035283604395 NA 1 "PR100037" "[M+H]+" "Uracil" "ISAKRJDGNUQOIC-UHFFFAOYSA-N" "massbank" "Uracil"