Mercurial > repos > recetox > riassigner

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 059cad0b3f5f7067d0ca577bfe7e29bfca8af6b5
author recetox
date Thu, 14 Aug 2025 14:01:09 +0000
parents af25aa61c611
children
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<macros>
    <token name="@TOOL_VERSION@">0.4.1</token>
    <xml name="creator">
        <creator>
            <person
                givenName="Helge"
                familyName="Hecht"
                url="https://github.com/hechth"
                identifier="0000-0001-6744-996X" />
            <person
                givenName="Wudmir"
                familyName="Rojas"
                url="https://github.com/wverastegui"
                identifier="0000-0001-7036-9987" />
            <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>