diff combineAnnotations.xml @ 8:94a2b6571758 draft

planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 7e1748612a9f9dce11a9e54ff36752b600e7aea3
author computational-metabolomics
date Wed, 12 Jun 2024 16:06:42 +0000
parents d4376a743f7b
children
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--- a/combineAnnotations.xml	Tue Feb 08 13:58:36 2022 +0000
+++ b/combineAnnotations.xml	Wed Jun 12 16:06:42 2024 +0000
@@ -113,9 +113,10 @@
         <test>
             <param name="sm_resultPth" value="combinedAnnotation_input_spectralMatching.sqlite" />
             <param name="metfrag_resultPth" value="combineAnnotations_input_metfrag.tsv" />
-	    <param name="sirius_csi_resultPth" value="combineAnnotations_input_sirus_csifingerid.tsv" />
-             <param name="compoundDbTypeCond|compoundDbPth" value="metab_compound_subset.sqlite" />
-            <param name="beams_resultPth" value="combineAnnotations_input_beams.tsv" />
+	        <param name="sirius_csi_resultPth" value="combineAnnotations_input_sirus_csifingerid.tsv" />
+            <param name="compoundDbTypeCond|compoundDbPth" value="metab_compound_subset.sqlite" />
+            <param name="ms1_lookup_resultPth" value="combineAnnotations_input_beams.tsv" />
+            <param name="ms1_lookup_keepAdducts" value="[M+H]+, [M+Na]+" />
             <param name="compoundDbTypeCond|compoundDbPth" value="metab_compound_subset.sqlite" />
             <output name="combined_annotations_tsv" file="combineAnnotations_combined_annotations.tsv" ftype="tsv" />
             <output name="combined_annotations_sqlite" file="combineAnnotations_combined_annotations.sqlite" ftype="sqlite" compare="sim_size"/>