# HG changeset patch # User tomnl # Date 1569590357 14400 # Node ID 998c58a7abb3836a0704abd50627385e0e6ad3f6 # Parent c43861c6924b540d85291a0d1e2440cbffddfc9b planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit ee6b57a84748b56c26646f7c37feabcb87a25430 diff -r c43861c6924b -r 998c58a7abb3 macros.xml --- a/macros.xml Tue Sep 24 08:00:36 2019 -0400 +++ b/macros.xml Fri Sep 27 09:19:17 2019 -0400 @@ -1,7 +1,7 @@ 1.11.4 - 0.2.6 + 0.2.7 diff -r c43861c6924b -r 998c58a7abb3 test-data/spectralMatching_db_with_spectral_matching.sqlite Binary file test-data/spectralMatching_db_with_spectral_matching.sqlite has changed diff -r c43861c6924b -r 998c58a7abb3 test-data/spectralMatching_db_with_spectral_matching_instrumentTypes.sqlite Binary file test-data/spectralMatching_db_with_spectral_matching_instrumentTypes.sqlite has changed diff -r c43861c6924b -r 998c58a7abb3 test-data/spectralMatching_matched_results_instrumentTypes.tsv --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/spectralMatching_matched_results_instrumentTypes.tsv Fri Sep 27 09:19:17 2019 -0400 @@ -0,0 +1,3 @@ +"pid" "grpid" "mz" "mzmin" "mzmax" "rt" "rtmin" "rtmax" "npeaks" "sample" "LCMSMS_2" "LCMSMS_1" "LCMS_2" "LCMS_1" "grp_name" "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" +1663 14 113.035283604395 113.035156497997 113.03541992282 80.50932 77.16429 83.64567 4 4 88462324.9597518 92812020.095242 77298864.2688328 77198465.9156761 "M113T81" 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" +1664 14 113.035283604395 113.035156497997 113.03541992282 80.50932 77.16429 83.64567 4 4 88462324.9597518 92812020.095242 77298864.2688328 77198465.9156761 "M113T81" 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" diff -r c43861c6924b -r 998c58a7abb3 test-data/spectralMatching_xcms_matched_results_instrumentTypes.tsv --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/spectralMatching_xcms_matched_results_instrumentTypes.tsv Fri Sep 27 09:19:17 2019 -0400 @@ -0,0 +1,3 @@ +"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"