<macros>
    <token name="@TOOL_VERSION@">1.3.2</token>
    <xml name="requirements">
        <requirements>
            <container type="docker">recetox/xmsannotator:latest</container>
        </requirements>
    </xml>

    <xml name="annotation">
        <param name="peaks" type="data" format="h5" label="Peaks" help="Table of peaks to annotate."/>
        <param name="metabolites" type="data" format="h5" label="Metabolite database"/>
        <param name="adducts" type="data" format="h5" label="Adduct database"/>


        <param name="mz_tolerance_ppm" type="float" value="5" min="0" label="Mass tolerance [ppm]" help="Mass tolerance in ppm for database matching."/>
    </xml>

    <xml name="output">
        <data format="h5" name="annotation"/>
    </xml>

    <xml name="citations">
        <citations>
            <citation type="doi">10.1021/acs.analchem.6b01214</citation>
        </citations>
    </xml>
</macros>