Mercurial > repos > galaxyp > openms_featurefindersuperhirn
view FeatureFinderSuperHirn.xml @ 9:f0ae67837629 draft
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit f608f41d45664d04d3124c6ebc791bf8a566b3c5
author | galaxyp |
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date | Wed, 15 May 2019 08:02:53 -0400 |
parents | cb6efad08345 |
children | c42075bb5123 |
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<?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 CTDConverter.--> <!--Proposed Tool Section: [Quantitation]--> <tool id="FeatureFinderSuperHirn" name="FeatureFinderSuperHirn" version="2.3.0"> <description>Finds mass spectrometric features in mass spectra.</description> <macros> <token name="@EXECUTABLE@">FeatureFinderSuperHirn</token> <import>macros.xml</import> </macros> <expand macro="references"/> <expand macro="stdio"/> <expand macro="requirements"/> <command detect_errors="aggressive"><![CDATA[FeatureFinderSuperHirn #if $param_in: -in $param_in #end if #if $param_out: -out $param_out #end if #if $param_algorithm_centroiding_active: -algorithm:centroiding:active #end if #if $param_algorithm_centroiding_window_width: -algorithm:centroiding:window_width $param_algorithm_centroiding_window_width #end if #if $param_algorithm_centroiding_absolute_isotope_mass_precision: -algorithm:centroiding:absolute_isotope_mass_precision $param_algorithm_centroiding_absolute_isotope_mass_precision #end if #if $param_algorithm_centroiding_relative_isotope_mass_precision: -algorithm:centroiding:relative_isotope_mass_precision $param_algorithm_centroiding_relative_isotope_mass_precision #end if #if $param_algorithm_centroiding_minimal_peak_height: -algorithm:centroiding:minimal_peak_height $param_algorithm_centroiding_minimal_peak_height #end if #if $param_algorithm_centroiding_min_ms_signal_intensity: -algorithm:centroiding:min_ms_signal_intensity $param_algorithm_centroiding_min_ms_signal_intensity #end if #if $rep_param_algorithm_ms1_precursor_detection_scan_levels: -algorithm:ms1:precursor_detection_scan_levels #for token in $rep_param_algorithm_ms1_precursor_detection_scan_levels: #if " " in str(token): "$token.param_algorithm_ms1_precursor_detection_scan_levels" #else $token.param_algorithm_ms1_precursor_detection_scan_levels #end if #end for #end if #if $param_algorithm_ms1_max_inter_scan_distance: -algorithm:ms1:max_inter_scan_distance $param_algorithm_ms1_max_inter_scan_distance #end if #if $param_algorithm_ms1_tr_resolution: -algorithm:ms1:tr_resolution $param_algorithm_ms1_tr_resolution #end if #if $param_algorithm_ms1_intensity_threshold: -algorithm:ms1:intensity_threshold $param_algorithm_ms1_intensity_threshold #end if #if $param_algorithm_ms1_max_inter_scan_rt_distance: -algorithm:ms1:max_inter_scan_rt_distance $param_algorithm_ms1_max_inter_scan_rt_distance #end if #if $param_algorithm_ms1_min_nb_cluster_members: -algorithm:ms1:min_nb_cluster_members $param_algorithm_ms1_min_nb_cluster_members #end if #if $param_algorithm_ms1_detectable_isotope_factor: -algorithm:ms1:detectable_isotope_factor $param_algorithm_ms1_detectable_isotope_factor #end if #if $param_algorithm_ms1_intensity_cv: -algorithm:ms1:intensity_cv $param_algorithm_ms1_intensity_cv #end if #if $param_algorithm_ms1_retention_time_tolerance: -algorithm:ms1:retention_time_tolerance $param_algorithm_ms1_retention_time_tolerance #end if #if $param_algorithm_ms1_mz_tolerance: -algorithm:ms1:mz_tolerance $param_algorithm_ms1_mz_tolerance #end if #if $param_algorithm_ms1_feature_merger_active: -algorithm:ms1_feature_merger:active #if " " in str($param_algorithm_ms1_feature_merger_active): "$param_algorithm_ms1_feature_merger_active" #else $param_algorithm_ms1_feature_merger_active #end if #end if #if $param_algorithm_ms1_feature_merger_tr_resolution: -algorithm:ms1_feature_merger:tr_resolution $param_algorithm_ms1_feature_merger_tr_resolution #end if #if $param_algorithm_ms1_feature_merger_initial_apex_tr_tolerance: -algorithm:ms1_feature_merger:initial_apex_tr_tolerance $param_algorithm_ms1_feature_merger_initial_apex_tr_tolerance #end if #if $param_algorithm_ms1_feature_merger_feature_merging_tr_tolerance: -algorithm:ms1_feature_merger:feature_merging_tr_tolerance $param_algorithm_ms1_feature_merger_feature_merging_tr_tolerance #end if #if $param_algorithm_ms1_feature_merger_intensity_variation_percentage: -algorithm:ms1_feature_merger:intensity_variation_percentage $param_algorithm_ms1_feature_merger_intensity_variation_percentage #end if #if $param_algorithm_ms1_feature_merger_ppm_tolerance_for_mz_clustering: -algorithm:ms1_feature_merger:ppm_tolerance_for_mz_clustering $param_algorithm_ms1_feature_merger_ppm_tolerance_for_mz_clustering #end if #if $param_algorithm_ms1_feature_selection_options_start_elution_window: -algorithm:ms1_feature_selection_options:start_elution_window $param_algorithm_ms1_feature_selection_options_start_elution_window #end if #if $param_algorithm_ms1_feature_selection_options_end_elution_window: -algorithm:ms1_feature_selection_options:end_elution_window $param_algorithm_ms1_feature_selection_options_end_elution_window #end if #if $param_algorithm_ms1_feature_selection_options_mz_range_min: -algorithm:ms1_feature_selection_options:mz_range_min $param_algorithm_ms1_feature_selection_options_mz_range_min #end if #if $param_algorithm_ms1_feature_selection_options_mz_range_max: -algorithm:ms1_feature_selection_options:mz_range_max $param_algorithm_ms1_feature_selection_options_mz_range_max #end if #if $param_algorithm_ms1_feature_selection_options_chrg_range_min: -algorithm:ms1_feature_selection_options:chrg_range_min $param_algorithm_ms1_feature_selection_options_chrg_range_min #end if #if $param_algorithm_ms1_feature_selection_options_chrg_range_max: -algorithm:ms1_feature_selection_options:chrg_range_max $param_algorithm_ms1_feature_selection_options_chrg_range_max #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" label="input profile data file" help="(-in) "/> <param name="param_algorithm_centroiding_active" display="radio" type="boolean" truevalue="-algorithm:centroiding:active" falsevalue="" checked="false" optional="True" label="MS1 data centroid data" help="(-active) "/> <param name="param_algorithm_centroiding_window_width" type="integer" min="1" optional="True" value="5" label="Centroid window width" help="(-window_width) "/> <param name="param_algorithm_centroiding_absolute_isotope_mass_precision" type="float" min="0.0" optional="True" value="0.01" label="Absolute isotope mass precision (Da)" help="(-absolute_isotope_mass_precision) "/> <param name="param_algorithm_centroiding_relative_isotope_mass_precision" type="float" min="0.0" optional="True" value="10.0" label="Relative isotope mass precision" help="(-relative_isotope_mass_precision) "/> <param name="param_algorithm_centroiding_minimal_peak_height" type="float" min="0.0" optional="True" value="0.0" label="Minimal peak height" help="(-minimal_peak_height) "/> <param name="param_algorithm_centroiding_min_ms_signal_intensity" type="float" min="0.0" optional="True" value="50.0" label="Minimal Centroid MS Signal Intensity" help="(-min_ms_signal_intensity) "/> <repeat name="rep_param_algorithm_ms1_precursor_detection_scan_levels" min="0" max="1" title="param_algorithm_ms1_precursor_detection_scan_levels"> <param name="param_algorithm_ms1_precursor_detection_scan_levels" type="text" size="30" value="1" label="Precursor detection scan levels" help="(-precursor_detection_scan_levels) "> <sanitizer> <valid initial="string.printable"> <remove value="'"/> <remove value="""/> </valid> </sanitizer> </param> </repeat> <param name="param_algorithm_ms1_max_inter_scan_distance" type="integer" min="0" optional="True" value="0" label="MS1 max inter scan distance" help="(-max_inter_scan_distance) "/> <param name="param_algorithm_ms1_tr_resolution" type="float" min="0.0" optional="True" value="0.01" label="MS1 LC retention time resolution" help="(-tr_resolution) "/> <param name="param_algorithm_ms1_intensity_threshold" type="float" min="0.0" optional="True" value="1000.0" label="FT peak detect MS1 intensity min threshold" help="(-intensity_threshold) "/> <param name="param_algorithm_ms1_max_inter_scan_rt_distance" type="float" min="0.0" optional="True" value="0.1" label="MS1 max inter scan distance" help="(-max_inter_scan_rt_distance) "/> <param name="param_algorithm_ms1_min_nb_cluster_members" type="integer" min="0" optional="True" value="4" label="FT peak detect MS1 min nb peak members" help="(-min_nb_cluster_members) "/> <param name="param_algorithm_ms1_detectable_isotope_factor" type="float" min="0.0" optional="True" value="0.05" label="Detectable isotope facto" help="(-detectable_isotope_factor) "/> <param name="param_algorithm_ms1_intensity_cv" type="float" min="0.0" optional="True" value="0.9" label="IntensityCV" help="(-intensity_cv) "/> <param name="param_algorithm_ms1_retention_time_tolerance" type="float" min="0.0" optional="True" value="0.5" label="MS1 retention time tolerance (minutes)" help="(-retention_time_tolerance) "/> <param name="param_algorithm_ms1_mz_tolerance" type="float" min="0.0" optional="True" value="0.0" label="MS1 m/z tolerance (ppm)" help="(-mz_tolerance) "/> <param name="param_algorithm_ms1_feature_merger_active" display="radio" type="select" optional="False" value="true" label="Activation of MS1 feature merging post processing" help="(-active) "> <option value="true" selected="true">true</option> <option value="false">false</option> </param> <param name="param_algorithm_ms1_feature_merger_tr_resolution" type="float" min="0.0" optional="True" value="0.01" label="MS1 LC retention time resolution" help="(-tr_resolution) "/> <param name="param_algorithm_ms1_feature_merger_initial_apex_tr_tolerance" type="float" min="0.0" optional="True" value="5.0" label="Initial Apex Tr tolerance" help="(-initial_apex_tr_tolerance) "/> <param name="param_algorithm_ms1_feature_merger_feature_merging_tr_tolerance" type="float" min="0.0" optional="True" value="1.0" label="MS1 feature Tr merging tolerance" help="(-feature_merging_tr_tolerance) "/> <param name="param_algorithm_ms1_feature_merger_intensity_variation_percentage" type="float" min="0.0" max="100.0" optional="True" value="25.0" label="Percentage of intensity variation between LC border peaks" help="(-intensity_variation_percentage) "/> <param name="param_algorithm_ms1_feature_merger_ppm_tolerance_for_mz_clustering" type="float" min="0.0" optional="True" value="10.0" label="PPM value for the m/z clustering of merging candidates" help="(-ppm_tolerance_for_mz_clustering) "/> <param name="param_algorithm_ms1_feature_selection_options_start_elution_window" type="float" min="0.0" optional="True" value="0.0" label="start elution window (minutes)" help="(-start_elution_window) "/> <param name="param_algorithm_ms1_feature_selection_options_end_elution_window" type="float" min="0.0" optional="True" value="180.0" label="end elution window (minutes)" help="(-end_elution_window) "/> <param name="param_algorithm_ms1_feature_selection_options_mz_range_min" type="float" min="0.0" optional="True" value="0.0" label="MS1 feature mz range min" help="(-mz_range_min) "/> <param name="param_algorithm_ms1_feature_selection_options_mz_range_max" type="float" min="0.0" optional="True" value="2000.0" label="MS1 feature mz range max" help="(-mz_range_max) "/> <param name="param_algorithm_ms1_feature_selection_options_chrg_range_min" type="integer" min="0" optional="True" value="1" label="MS1 feature CHRG range min" help="(-chrg_range_min) "/> <param name="param_algorithm_ms1_feature_selection_options_chrg_range_max" type="integer" min="0" optional="True" value="5" label="MS1 feature CHRG range max" help="(-chrg_range_max) "/> <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="featurexml"/> </outputs> <help>Finds mass spectrometric features in mass spectra. For more information, visit https://abibuilder.informatik.uni-tuebingen.de/archive/openms/Documentation/release/2.3.0/html/TOPP_FeatureFinderSuperHirn.html</help> </tool>