Mercurial > repos > recetox > riassigner

view 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
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children c702620c22b1
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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>