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changeset 14:998c58a7abb3 draft

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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit ee6b57a84748b56c26646f7c37feabcb87a25430
author tomnl
date Fri, 27 Sep 2019 09:19:17 -0400
parents c43861c6924b
children 70257c77ea04
files macros.xml test-data/spectralMatching_db_with_spectral_matching.sqlite test-data/spectralMatching_db_with_spectral_matching_instrumentTypes.sqlite test-data/spectralMatching_matched_results_instrumentTypes.tsv test-data/spectralMatching_xcms_matched_results_instrumentTypes.tsv
diffstat 5 files changed, 7 insertions(+), 1 deletions(-) [+]
line wrap: on
line diff
--- 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 @@
 <?xml version="1.0"?>
 <macros>
     <token name="@TOOL_VERSION@">1.11.4</token>
-    <token name="@GALAXY_TOOL_VERSION@">0.2.6</token>
+    <token name="@GALAXY_TOOL_VERSION@">0.2.7</token>
 
     <xml name="requirements">
         <requirements>
Binary file test-data/spectralMatching_db_with_spectral_matching.sqlite has changed
Binary file test-data/spectralMatching_db_with_spectral_matching_instrumentTypes.sqlite has changed
--- /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"
--- /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"