--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/recetox_xmsannotator_macros.xml	Tue Aug 25 11:45:18 2020 +0000
@@ -0,0 +1,36 @@
+<macros>
+    <xml name="requirements">
+        <requirements>
+            <requirement type="package">recetox_datatypes</requirement>
+            <container type="docker">registry.gitlab.ics.muni.cz:443/recetox/mass-spectrometry/xmsannotator:deployment</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>
\ No newline at end of file