Mercurial > repos > recetox > recetox_xmsannotator_advanced

comparison recetox_xmsannotator_macros.xml @ 0:7c452c71d960 draft

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"planemo upload commit 5d3c80fb59c7d68a3d4ae26119821bc8d6fd65f2-dirty"
author recetox
date Tue, 25 Aug 2020 11:54:14 +0000
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-1:000000000000 0:7c452c71d960
1 <macros>
2 <xml name="requirements">
3 <requirements>
4 <requirement type="package">recetox_datatypes</requirement>
5 <container type="docker">registry.gitlab.ics.muni.cz:443/recetox/mass-spectrometry/xmsannotator:deployment</container>
6 </requirements>
7 </xml>
8
9 <xml name="peaks">
10 <param name="peaks" type="data" format="peak_table.feather" label="Peak intensity table"/>
11 </xml>
12
13 <xml name="metabolites">
14 <!-- <param name="metabolites" type="select" label="Metabolite database">
15 <options from_data_table="recetox_metabolite_databases">
16 <column name="name" index="2"/>
17 <column name="value" index="3"/>
18 </options>
19 </param> -->
20 <param name="metabolites" type="data" format="metabolites.h5" label="Metabolite database"/>
21 </xml>
22
23 <xml name="mz_tolerance">
24 <param name="mz_tolerance" type="float" value="10" min="0" label="Mass tolerance [ppm]" help="Mass tolerance in ppm for database matching."/>
25 </xml>
26
27 <xml name="annotation_output">
28 <data format="annotated_peak_list.feather" name="annotation"/>
29 </xml>
30
31 <xml name="citations">
32 <citations>
33 <citation type="doi">10.1021/acs.analchem.6b01214</citation>
34 </citations>
35 </xml>
36 </macros>