diff FeatureLinkerLabeled.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/FeatureLinkerLabeled.xml	Fri Oct 10 18:20:03 2014 -0400
@@ -0,0 +1,49 @@
+<?xml version='1.0' encoding='UTF-8'?>
+<tool id="FeatureLinkerLabeled" name="FeatureLinkerLabeled" version="1.12.0">
+  <description>Groups corresponding isotope-labeled features in a feature map.</description>
+  <macros>
+    <token name="@EXECUTABLE@">FeatureLinkerLabeled</token>
+    <import>macros.xml</import>
+  </macros>
+  <expand macro="stdio"/>
+  <expand macro="requirements"/>
+  <command>FeatureLinkerLabeled
+
+-in ${param_in}
+-out ${param_out}
+-threads \${GALAXY_SLOTS:-24} 
+${param_rt_estimate}
+-algorithm:rt_pair_dist ${param_rt_pair_dist}
+-algorithm:rt_dev_low ${param_rt_dev_low}
+-algorithm:rt_dev_high ${param_rt_dev_high}
+-algorithm:mz_pair_dists ${param_mz_pair_dists}
+-algorithm:mz_dev ${param_mz_dev}
+#if $adv_opts.adv_opts_selector=='advanced':
+    ${adv_opts.param_mrm}
+#end if
+</command>
+  <inputs>
+    <param name="param_in" type="data" format="featureXML" optional="False" label="Input file" help="(-in)"/>
+    <param name="param_rt_estimate" type="boolean" truevalue="-algorithm:rt_estimate true" falsevalue="-algorithm:rt_estimate false" checked="true" optional="True" label="If 'true' the optimal RT pair distance and deviation are estimated by fitting a gaussian distribution to the histogram of pair distance. Note that this works only datasets with a significant amount of pairs! If 'false' the parameters 'rt_pair_dist', 'rt_dev_low' and 'rt_dev_high' define the optimal distance." help="(-rt_estimate)"/>
+    <param name="param_rt_pair_dist" type="float" value="-20.0" label="optimal pair distance in RT [sec] from light to heavy feature" help="(-rt_pair_dist)"/>
+    <param name="param_rt_dev_low" type="float" min="0.0" optional="True" value="15.0" label="maximum allowed deviation below optimal retention time distance" help="(-rt_dev_low)"/>
+    <param name="param_rt_dev_high" type="float" min="0.0" optional="True" value="15.0" label="maximum allowed deviation above optimal retention time distance" help="(-rt_dev_high)"/>
+    <param name="param_mz_pair_dists" type="text" size="20" value="4.0" label="optimal pair distances in m/z [Th] for features with charge +1 (adapted to +2, +3, .. by division through charge)" help="(-mz_pair_dists)"/>
+    <param name="param_mz_dev" type="float" min="0.0" optional="True" value="0.05" label="maximum allowed deviation from optimal m/z distance#br#" help="(-mz_dev)"/>
+    <expand macro="advanced_options">
+      <param name="param_mrm" type="boolean" truevalue="-algorithm:mrm true" falsevalue="-algorithm:mrm false" checked="false" optional="True" label="this option should be used if the features correspond mrm chromatograms (additionally the precursor is taken into account)" help="(-mrm)"/>
+    </expand>
+  </inputs>
+  <outputs>
+    <data name="param_out" label="Output file" format="consensusXML"/>
+  </outputs>
+  <help>**What it does**
+
+Groups corresponding isotope-labeled features in a feature map.
+
+
+For more information, visit http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/TOPP_FeatureLinkerLabeled.html
+
+@REFERENCES@
+</help>
+</tool>