Mercurial > repos > recetox > recetox_xmsannotator_advanced

annotate recetox_xmsannotator_macros.xml @ 1:1c70b19b09eb draft

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"planemo upload commit e434c430917b52ef21b96f0231663c1f1dda34f9-dirty"
author recetox
date Thu, 17 Sep 2020 08:40:19 +0000
parents 7c452c71d960
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1 <macros>
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2 <xml name="requirements">
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3 <requirements>
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4 <requirement type="package">recetox_datatypes</requirement>
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5 <container type="docker">registry.gitlab.ics.muni.cz:443/recetox/mass-spectrometry/xmsannotator:v2.0</container>
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6 </requirements>
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7 </xml>
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9 <xml name="peaks">
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10 <param name="peaks" type="data" format="peak_table.feather" label="Peak intensity table"/>
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11 </xml>
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13 <xml name="metabolites">
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14 <!-- <param name="metabolites" type="select" label="Metabolite database">
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15 <options from_data_table="recetox_metabolite_databases">
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16 <column name="name" index="2"/>
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17 <column name="value" index="3"/>
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18 </options>
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19 </param> -->
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20 <param name="metabolites" type="data" format="metabolites.h5" label="Metabolite database"/>
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21 </xml>
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23 <xml name="mz_tolerance">
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24 <param name="mz_tolerance" type="float" value="10" min="0" label="Mass tolerance [ppm]" help="Mass tolerance in ppm for database matching."/>
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25 </xml>
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27 <xml name="annotation_output">
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28 <data format="annotated_peak_list.feather" name="annotation"/>
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29 </xml>
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31 <xml name="citations">
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32 <citations>
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33 <citation type="doi">10.1021/acs.analchem.6b01214</citation>
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34 </citations>
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35 </xml>
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36 </macros>