Mercurial > repos > bgruening > openms
diff OpenSwathChromatogramExtractor.xml @ 4:6ead64a594bd draft default tip
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
| author | bgruening |
|---|---|
| date | Wed, 27 Jan 2016 10:06:49 -0500 |
| parents | 3d84209d3178 |
| children |
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--- a/OpenSwathChromatogramExtractor.xml Mon Oct 13 10:18:22 2014 -0400 +++ b/OpenSwathChromatogramExtractor.xml Wed Jan 27 10:06:49 2016 -0500 @@ -1,60 +1,110 @@ -<?xml version='1.0' encoding='UTF-8'?> -<tool id="OpenSwathChromatogramExtractor" name="OpenSwathChromatogramExtractor" version="1.12.0"> - <description>Extract chromatograms (XIC) from a MS2 map file.</description> - <macros> - <token name="@EXECUTABLE@">OpenSwathChromatogramExtractor</token> - <import>macros.xml</import> - </macros> - <expand macro="stdio"/> - <expand macro="requirements"/> - <command>OpenSwathChromatogramExtractor +<?xml version="1.0" encoding="UTF-8"?> + <!--This is a configuration file for the integration of a tools into Galaxy (https://galaxyproject.org/). This file was automatically generated using CTD2Galaxy.--> + <!--Proposed Tool Section: [Targeted Experiments]--> + <tool id="OpenSwathChromatogramExtractor" name="OpenSwathChromatogramExtractor" version="2.0.0"> + <description>Extract chromatograms (XIC) from a MS2 map file.</description> + <macros> + <token name="@EXECUTABLE@">OpenSwathChromatogramExtractor</token> + <import>macros.xml</import> + </macros> + <expand macro="references"/> + <expand macro="stdio"/> + <expand macro="requirements"/> + <command>OpenSwathChromatogramExtractor --in ${param_in} --tr ${param_tr} --rt_norm ${param_rt_norm} --out ${param_out} --min_upper_edge_dist ${param_min_upper_edge_dist} --mz_window ${param_mz_window} --rt_window ${param_rt_window} -${param_is_swath} -${param_ppm} -${param_extract_MS1} --extraction_function ${param_extraction_function} --threads \${GALAXY_SLOTS:-24} --model:type ${param_type} -${param_symmetric_regression} +-in + #for token in $param_in: + $token + #end for +#if $param_tr: + -tr $param_tr +#end if +#if $param_rt_norm: + -rt_norm $param_rt_norm +#end if +#if $param_out: + -out $param_out +#end if +#if $param_min_upper_edge_dist: + -min_upper_edge_dist $param_min_upper_edge_dist +#end if +#if $param_mz_window: + -mz_window $param_mz_window +#end if +#if $param_rt_window: + -rt_window $param_rt_window +#end if +#if $param_is_swath: + -is_swath +#end if +#if $param_ppm: + -ppm +#end if +#if $param_extract_MS1: + -extract_MS1 +#end if +#if $param_extraction_function: + -extraction_function + #if " " in str($param_extraction_function): + "$param_extraction_function" + #else + $param_extraction_function + #end if +#end if +-threads \${GALAXY_SLOTS:-24} +#if $param_model_type: + -model:type + #if " " in str($param_model_type): + "$param_model_type" + #else + $param_model_type + #end if +#end if +#if $param_model_symmetric_regression: + -model:symmetric_regression +#end if +#if $adv_opts.adv_opts_selector=='advanced': + #if $adv_opts.param_force: + -force +#end if +#end if </command> - <inputs> - <param name="param_in" type="data" format="mzML" optional="False" size="20" label="Input files separated by blank" help="(-in)"/> - <param name="param_tr" type="data" format="tabular" optional="False" label="transition file ('TraML' or 'csv')" help="(-tr)"/> - <param name="param_rt_norm" type="data" format="" optional="True" label="RT normalization file (how to map the RTs of this run to the ones stored in the library)" help="(-rt_norm)"/> - <param name="param_min_upper_edge_dist" type="float" value="0.0" label="Minimal distance to the edge to still consider a precursor, in Thomson" help="(-min_upper_edge_dist)"/> - <param name="param_mz_window" type="float" min="0.0" optional="True" value="0.05" label="Extraction window in m/z dimension (in Thomson, to use ppm see -ppm flag). This is the full window size, e.g. 100 ppm would extract 50 ppm on either side." help="(-mz_window)"/> - <param name="param_rt_window" type="float" value="-1.0" label="Extraction window in RT dimension (-1 means extract over the whole range). This is the full window size, e.g. a value of 1000 seconds would extract 500 seconds on either side." help="(-rt_window)"/> - <param name="param_is_swath" type="boolean" truevalue="-is_swath true" falsevalue="-is_swath false" checked="false" optional="True" label="Set this flag if the data is SWATH data" help="(-is_swath)"/> - <param name="param_ppm" type="boolean" truevalue="-ppm true" falsevalue="-ppm false" checked="false" optional="True" label="m/z extraction_window is in ppm" help="(-ppm)"/> - <param name="param_extract_MS1" type="boolean" truevalue="-extract_MS1 true" falsevalue="-extract_MS1 false" checked="false" optional="True" label="Extract the MS1 transitions based on the precursor values in the TraML file" help="(-extract_MS1)"/> - <param name="param_extraction_function" type="select" optional="True" value="tophat" label="Function used to extract the signal" help="(-extraction_function)"> - <option value="tophat">tophat</option> - <option value="bartlett">bartlett</option> - </param> - <param name="param_type" type="select" optional="True" value="linear" label="Type of model" help="(-type)"> - <option value="linear">linear</option> - <option value="b_spline">b_spline</option> - <option value="interpolated">interpolated</option> - </param> - <param name="param_symmetric_regression" type="boolean" truevalue="-model:symmetric_regression true" falsevalue="-model:symmetric_regression false" checked="false" optional="True" label="Only for 'linear' model: Perform linear regression on 'y - x' vs. 'y + x', instead of on 'y' vs. 'x'." help="(-symmetric_regression)"/> - </inputs> - <outputs> - <data name="param_out" label="output file" format="mzML"/> - </outputs> - <help>**What it does** - -Extract chromatograms (XIC) from a MS2 map file. + <inputs> + <param format="mzml" help="(-in) " label="Input files separated by blank" multiple="true" name="param_in" optional="False" size="30" type="data"> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param format="tabular,traml" help="(-tr) " label="transition file ('TraML' or 'csv')" name="param_tr" optional="False" type="data"/> + <param format="trafoxml" help="(-rt_norm) " label="RT normalization file (how to map the RTs of this run to the ones stored in the library)" name="param_rt_norm" optional="True" type="data"/> + <param help="(-min_upper_edge_dist) " label="Minimal distance to the edge to still consider a precursor, in Thomson" name="param_min_upper_edge_dist" type="float" value="0.0"/> + <param help="(-mz_window) e.g. 100 ppm would extract 50 ppm on either side" label="Extraction window in m/z dimension (in Thomson, to use ppm see -ppm flag). This is the full window size," min="0.0" name="param_mz_window" optional="True" type="float" value="0.05"/> + <param help="(-rt_window) e.g. a value of 1000 seconds would extract 500 seconds on either side" label="Extraction window in RT dimension (-1 means extract over the whole range). This is the full window size," name="param_rt_window" type="float" value="-1.0"/> + <param checked="false" falsevalue="" help="(-is_swath) " label="Set this flag if the data is SWATH data" name="param_is_swath" optional="True" truevalue="-is_swath" type="boolean"/> + <param checked="false" falsevalue="" help="(-ppm) " label="m/z extraction_window is in ppm" name="param_ppm" optional="True" truevalue="-ppm" type="boolean"/> + <param checked="false" falsevalue="" help="(-extract_MS1) " label="Extract the MS1 transitions based on the precursor values in the TraML file" name="param_extract_MS1" optional="True" truevalue="-extract_MS1" type="boolean"/> + <param help="(-extraction_function) " label="Function used to extract the signal" name="param_extraction_function" optional="True" type="select" value="tophat"> + <option value="tophat">tophat</option> + <option value="bartlett">bartlett</option> + </param> + <param help="(-type) " label="Type of model" name="param_model_type" optional="True" type="select" value="linear"> + <option value="linear">linear</option> + <option value="b_spline">b_spline</option> + <option value="interpolated">interpolated</option> + </param> + <param checked="false" falsevalue="" help="(-symmetric_regression) 'y + x', instead of on 'y' vs. 'x'" label="Only for 'linear' model: Perform linear regression on 'y - x' vs" name="param_model_symmetric_regression" optional="True" truevalue="-model:symmetric_regression" type="boolean"/> + <expand macro="advanced_options"> + <param checked="false" falsevalue="" help="(-force) " label="Overwrite tool specific checks" name="param_force" optional="True" truevalue="-force" type="boolean"/> + </expand> + </inputs> + <outputs> + <data format="mzml" name="param_out"/> + </outputs> + <help>Extract chromatograms (XIC) from a MS2 map file. -For more information, visit http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/TOPP_OpenSwathChromatogramExtractor.html - -@REFERENCES@ -</help> -</tool> +For more information, visit http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/TOPP_OpenSwathChromatogramExtractor.html</help> + </tool>
