view macros.xml @ 2:3c396ae0a1e7 draft

"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 0a955803a7f7f47cc13eb8d75d207968536a6564"
author recetox
date Tue, 25 Jan 2022 09:39:36 +0000
parents 97c0aae5eb69
children 113f5f66e6b9
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<macros>
    <token name="@TOOL_VERSION@">0.3.1</token>
    <xml name="creator">
        <creator>
            <organization
                url="https://www.recetox.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>