Mercurial > repos > galaxyp > openms
diff EICExtractor.xml @ 0:3070d71e0e5c draft
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author | bgruening |
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date | Thu, 16 Apr 2015 08:37:04 -0400 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/EICExtractor.xml Thu Apr 16 08:37:04 2015 -0400 @@ -0,0 +1,104 @@ +<?xml version='1.0' encoding='UTF-8'?> +<tool id="EICExtractor" name="EICExtractor" version="2.0.0"> + <description>Extracts intensities from dedicates positions in a LC/MS map</description> + <macros> + <token name="@EXECUTABLE@">EICExtractor</token> + <import>macros.xml</import> + </macros> + <expand macro="stdio"/> + <expand macro="requirements"/> + <command>EICExtractor + +-in + #for token in $param_in: + $token + #end for +-in_header + #for token in $param_in_header: + $token + #end for +#if $param_pos: + -pos $param_pos +#end if +#if $param_rt_tol: + -rt_tol $param_rt_tol +#end if +#if $param_mz_tol: + -mz_tol $param_mz_tol +#end if +#if $param_rt_collect: + -rt_collect $param_rt_collect +#end if +#if $param_out: + -out $param_out +#end if +-threads \${GALAXY_SLOTS:-24} +#if $param_auto_rt_enabled: + -auto_rt:enabled +#end if +#if $param_auto_rt_out_debug_TIC: + -auto_rt:out_debug_TIC $param_auto_rt_out_debug_TIC +#end if +#if $adv_opts.adv_opts_selector=='advanced': + #if $adv_opts.param_out_separator: + -out_separator "$adv_opts.param_out_separator" +#end if + #if $adv_opts.param_force: + -force +#end if + #if $adv_opts.param_auto_rt_FHWM: + -auto_rt:FHWM $adv_opts.param_auto_rt_FHWM +#end if + #if $adv_opts.param_auto_rt_SNThreshold: + -auto_rt:SNThreshold $adv_opts.param_auto_rt_SNThreshold +#end if +#end if +</command> + <inputs> + <param name="param_in" type="data" format="mzml" multiple="true" optional="False" size="30" label="Input raw data file" help="(-in) "> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_in_header" type="data" format="txt" multiple="true" optional="True" size="30" label="[for Waters data only] Read additional information from _HEADER.TXT" help="(-in_header) Provide one for each raw input file"> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_pos" type="data" format="tabular" optional="False" label="Input config file stating where to find signal" help="(-pos) "/> + <param name="param_rt_tol" type="float" value="3.0" label="RT tolerance in [s] for finding max peak (whole RT range around RT middle)" help="(-rt_tol) "/> + <param name="param_mz_tol" type="float" value="10.0" label="m/z tolerance in [ppm] for finding a peak" help="(-mz_tol) "/> + <param name="param_rt_collect" type="integer" value="1" label="# of scans up & down in RT from highest point for ppm estimation in result" help="(-rt_collect) "/> + <param name="param_auto_rt_enabled" type="boolean" truevalue="-auto_rt:enabled" falsevalue="" checked="false" optional="True" label="Automatically detect injection peaks from TIC and quantify all m/z x RT combinations" help="(-enabled) "/> + <expand macro="advanced_options"> + <param name="param_out_separator" type="text" size="30" value="," label="Separator character for output CSV file" help="(-out_separator) "> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_force" type="boolean" truevalue="-force" falsevalue="" checked="false" optional="True" label="Overwrite tool specific checks" help="(-force) "/> + <param name="param_auto_rt_FHWM" type="float" value="5.0" label="Expected full width at half-maximum of each raw RT peak in [s]" help="(-FHWM) Gaussian smoothing filter with this width is applied to TIC"/> + <param name="param_auto_rt_SNThreshold" type="float" value="5.0" label="S/N threshold for a smoothed raw peak to pass peak picking" help="(-SNThreshold) Higher thesholds will result in less peaks"/> + </expand> + </inputs> + <outputs> + <data name="param_out" format="tabular"/> + <data name="param_auto_rt_out_debug_TIC" format="mzml"/> + </outputs> + <help>**What it does** + +Extracts intensities from dedicates positions in a LC/MS map + + +For more information, visit http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/TOPP_EICExtractor.html</help> + <expand macro="references"/> +</tool>