diff MRMPairFinder.xml @ 0:3d84209d3178 draft

Uploaded
author bgruening
date Fri, 10 Oct 2014 18:20:03 -0400
parents
children 6ead64a594bd
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/MRMPairFinder.xml	Fri Oct 10 18:20:03 2014 -0400
@@ -0,0 +1,45 @@
+<?xml version='1.0' encoding='UTF-8'?>
+<tool id="MRMPairFinder" name="MRMPairFinder" version="1.12.0">
+  <description>Util which can be used to evaluate labeled pair ratios on MRM features.</description>
+  <macros>
+    <token name="@EXECUTABLE@">MRMPairFinder</token>
+    <import>macros.xml</import>
+  </macros>
+  <expand macro="stdio"/>
+  <expand macro="requirements"/>
+  <command>MRMPairFinder
+
+-in ${param_in}
+-pair_in ${param_pair_in}
+-out ${param_out}
+-feature_out ${param_feature_out}
+-threads \${GALAXY_SLOTS:-24} 
+#if $adv_opts.adv_opts_selector=='advanced':
+    -mass_tolerance ${adv_opts.param_mass_tolerance}
+    -RT_tolerance ${adv_opts.param_RT_tolerance}
+    -RT_pair_tolerance ${adv_opts.param_RT_pair_tolerance}
+#end if
+</command>
+  <inputs>
+    <param name="param_in" type="data" format="featureXML" optional="False" label="Input featureXML file containing the features of the MRM experiment spectra." help="(-in)"/>
+    <param name="param_pair_in" type="data" format="tabular" optional="False" label="Pair-file in the format: prec-m/z-light prec-m/z-heavy frag-m/z-light frag-m/z-heavy rt" help="(-pair_in)"/>
+    <expand macro="advanced_options">
+      <param name="param_mass_tolerance" type="float" min="0.0" optional="True" value="0.01" label="Precursor mass tolerance which is used for the pair finding and the matching of the given pair m/z values to the features." help="(-mass_tolerance)"/>
+      <param name="param_RT_tolerance" type="float" min="0.0" optional="True" value="200.0" label="Maximal deviation in RT dimension in seconds a feature can have when comparing to the RT values given in the pair file." help="(-RT_tolerance)"/>
+      <param name="param_RT_pair_tolerance" type="float" min="0.0" optional="True" value="5.0" label="Maximal deviation in RT dimension in seconds the two partners of a pair is allowed to have." help="(-RT_pair_tolerance)"/>
+    </expand>
+  </inputs>
+  <outputs>
+    <data name="param_out" label="Output consensusXML file were the pairs of the features will be written to." format="consensusXML"/>
+    <data name="param_feature_out" label="Output featureXML file, only written if given, skipped otherwise." format="featureXML"/>
+  </outputs>
+  <help>**What it does**
+
+Util which can be used to evaluate labeled pair ratios on MRM features.
+
+
+For more information, visit http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/UTILS_MRMPairFinder.html
+
+@REFERENCES@
+</help>
+</tool>