Mercurial > repos > computational-metabolomics > mspurity_spectralmatching
diff test-data/spectralMatching_xcms_matched_results.tsv @ 6:fecfe8c80e25 draft
"planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2579c8746819670348c378f86116f83703c493eb"
| author | computational-metabolomics |
|---|---|
| date | Thu, 04 Mar 2021 12:32:11 +0000 |
| parents | 5ff9d40c7a42 |
| children |
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--- a/test-data/spectralMatching_xcms_matched_results.tsv Fri Nov 13 10:02:32 2020 +0000 +++ b/test-data/spectralMatching_xcms_matched_results.tsv Thu Mar 04 12:32:11 2021 +0000 @@ -1,3 +1,3 @@ "qpid" "lpid" "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" "query_entry_name" -1663 56653 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" NA -1664 56653 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" NA +1665 56653 1 0.942265461847349 0.945232713864488 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" NA +1666 56653 2 0.942265461847349 0.945232713864488 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" NA