<macros>
    <xml name="requirements">
        <requirements>
            <requirement type="package">recetox_datatypes</requirement>
            <container type="docker">registry.gitlab.ics.muni.cz:443/recetox/mass-spectrometry/xmsannotator:v2.0</container>
        </requirements>
    </xml>

    <xml name="peaks">
        <param name="peaks" type="data" format="peak_table.feather" label="Peak intensity table"/>
    </xml>

    <xml name="metabolites">
        <!-- <param name="metabolites" type="select" label="Metabolite database">
            <options from_data_table="recetox_metabolite_databases">
                <column name="name" index="2"/>
                <column name="value" index="3"/>
            </options>
        </param> -->
        <param name="metabolites" type="data" format="metabolites.h5" label="Metabolite database"/>
    </xml>

    <xml name="mz_tolerance">
        <param name="mz_tolerance" type="float" value="10" min="0" label="Mass tolerance [ppm]" help="Mass tolerance in ppm for database matching."/>
    </xml>

    <xml name="annotation_output">
        <data format="annotated_peak_list.feather" name="annotation"/>
    </xml>

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