Mercurial > repos > galaxyp > openms_openswathchromatogramextractor
diff OpenSwathChromatogramExtractor.xml @ 0:f41f97505717 draft
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit fb85d488133bb2b5f483b52b2db0ac66038fafb8
author | galaxyp |
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date | Wed, 01 Mar 2017 12:43:05 -0500 |
parents | |
children | 47729465a3d3 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/OpenSwathChromatogramExtractor.xml Wed Mar 01 12:43:05 2017 -0500 @@ -0,0 +1,100 @@ +<?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="2.1.0"> + <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 + #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 $param_extraction_function +#end if +#if $param_model_type: + -model:type $param_model_type +#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" multiple="true" optional="False" size="30" label="Input files separated by blank" help="(-in) "> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_tr" type="data" format="tabular,traml" optional="False" label="transition file ('TraML' or 'csv')" help="(-tr) "/> + <param name="param_rt_norm" type="data" format="trafoxml" 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," help="(-mz_window) e.g. 100 ppm would extract 50 ppm on either side"/> + <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," help="(-rt_window) e.g. a value of 1000 seconds would extract 500 seconds on either side"/> + <param name="param_is_swath" display="radio" type="boolean" truevalue="-is_swath" falsevalue="" checked="false" optional="True" label="Set this flag if the data is SWATH data" help="(-is_swath) "/> + <param name="param_ppm" display="radio" type="boolean" truevalue="-ppm" falsevalue="" checked="false" optional="True" label="m/z extraction_window is in ppm" help="(-ppm) "/> + <param name="param_extract_MS1" display="radio" type="boolean" truevalue="-extract_MS1" falsevalue="" 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" display="radio" type="select" optional="False" value="tophat" label="Function used to extract the signal" help="(-extraction_function) "> + <option value="tophat" selected="true">tophat</option> + <option value="bartlett">bartlett</option> + </param> + <param name="param_model_type" display="radio" type="select" optional="False" value="linear" label="Type of model" help="(-type) "> + <option value="linear" selected="true">linear</option> + <option value="b_spline">b_spline</option> + <option value="interpolated">interpolated</option> + <option value="lowess">lowess</option> + </param> + <param name="param_model_symmetric_regression" display="radio" type="boolean" truevalue="-model:symmetric_regression" falsevalue="" checked="false" optional="True" label="Only for 'linear' model: Perform linear regression on 'y - x' vs" help="(-symmetric_regression) 'y + x', instead of on 'y' vs. 'x'"/> + <expand macro="advanced_options"> + <param name="param_force" display="radio" type="boolean" truevalue="-force" falsevalue="" checked="false" optional="True" label="Overwrite tool specific checks" help="(-force) "/> + </expand> + </inputs> + <outputs> + <data name="param_out" format="mzml"/> + </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</help> +</tool>