Mercurial > repos > recetox > riassigner

diff macros.xml @ 0:f6bf8f1f3224 draft

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"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
author recetox
date Tue, 22 Mar 2022 16:10:46 +0000
parents
children c702620c22b1
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/macros.xml	Tue Mar 22 16:10:46 2022 +0000
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+<macros>
+    <token name="@TOOL_VERSION@">0.3.2</token>
+    <xml name="creator">
+        <creator>
+            <person
+                givenName="Helge"
+                familyName="Hecht"
+                url="https://github.com/hechth"
+                identifier="0000-0001-6744-996X" />
+            <organization
+                url="https://www.recetox.muni.cz/"
+                email="GalaxyToolsDevelopmentandDeployment@space.muni.cz"
+                name="RECETOX MUNI" />
+        </creator>
+    </xml>
+
+    <token name="@HELP@">
+        <![CDATA[
+        RIAssigner can be used to read data from .msp, .csv and .tsv files using matchms and pandas and to compute the
+        retention indices for the data. A reference list of retention indexed compounds (traditionally an Alkane series)
+        with retention times is used to compute the RI for a query dataset of retention time values using the van den
+        Dool method or by using cubic spline based interpolation.
+        ]]>
+    </token>
+</macros>