Mercurial > repos > workflow4metabolomics > ms2snoop
diff MS2snoop.xml @ 2:a35fde23940e draft
planemo upload commit 7bb8dbe0a0bb34d897daf11c5dd3a92e89c23944
author | workflow4metabolomics |
---|---|
date | Wed, 08 Jun 2022 12:37:53 +0000 |
parents | df2672c37732 |
children | c68c94865667 |
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--- a/MS2snoop.xml Tue May 24 18:14:49 2022 +0000 +++ b/MS2snoop.xml Wed Jun 08 12:37:53 2022 +0000 @@ -1,11 +1,11 @@ -<tool id="ms2snoop" name="MS2 Snoop" version="@TOOL_VERSION@+galaxy@VERSION_SUFFIX@" profile="22.01"> - <macros> - <token name="@TOOL_VERSION@">1.0.1</token> - <token name="@VERSION_SUFFIX@">0</token> - </macros> +<tool id="ms2snoop" name="MS2 Snoop" version="@TOOL_VERSION@+galaxy@VERSION_SUFFIX@" profile="21.09"> <description> MS1/MS2 spectra and associated adducts extraction and cleaning </description> + <macros> + <token name="@TOOL_VERSION@">1.0.1</token> + <token name="@VERSION_SUFFIX@">1</token> + </macros> <edam_topics> <edam_topic>topic_0091</edam_topic> <edam_topic>topic_3370</edam_topic> @@ -48,91 +48,92 @@ </command> <inputs> <param + argument="--compound_txt" type="data" format="tabular,csv" - argument="--compound_txt" - label="list of compounds : col1=Name of molecule, col2=m/z, col3=retention time" + label="list of compounds" + help="The table must fit the format: col1=Name of molecule, col2=m/z, col3=retention time" /> <param + argument="--peaklist_frag_tsv" type="data" format="tabular,csv" - argument="--peaklist_frag_tsv" label="MSpurity fragments file" /> <param + argument="--peaklist_preco_tsv" type="data" format="tabular,csv" - argument="--peaklist_preco_tsv" label="MSpurity precursors file" /> <param + argument="--tolmz" type="float" min="0.0001" max="10" value="0.01" label="MZ Tolerence" - argument="--tolmz" /> <param + argument="--tolrt" type="integer" min="0" max="30" value="20" label="RT Tolerence" - argument="--tolrt" /> <param + argument="--seuil_ra" type="float" min="0" max="1" value="0.05" label="r pearson correlation threshold between precursor and fragment absolute intensity" - argument="--seuil_ra" /> <param + argument="--mzdecimal" type="integer" min="0" max="5" value="0" label="nb decimal for mz" - argument="--mzdecimal" /> <param + argument="--r_threshold" type="float" min="0" value="0.85" label="fragment absolute intensity" - argument="--r_threshold" /> <param + argument="--min_number_scan" type="integer" min="0" max="25" value="8" label="Present in at least X scan" - argument="--min_number_scan" help="fragments are kept if they are found in a minimum number of scans" /> <section title="Advenced Options" name="advenced"> <param + argument="--verbose" type="boolean" value="" + optional="true" label="Verbose logs" - argument="--verbose" + help="The tool will print more logs" truevalue="--verbose" falsevalue="" - help="The tool will print more logs" - optional="true" /> <param + argument="--debug" type="boolean" value="" + optional="true" label="Debug statements" - argument="--debug" + help="The tool will print debug statements" truevalue="--debug" falsevalue="" - help="The tool will print debug statements" - optional="true" /> </section> </inputs>