Mercurial > repos > bgruening > openms
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>
