Mercurial > repos > galaxyp > openms
diff OpenSwathWorkflow.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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children | 60a33af52042 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/OpenSwathWorkflow.xml Thu Apr 16 08:37:04 2015 -0400 @@ -0,0 +1,358 @@ +<?xml version='1.0' encoding='UTF-8'?> +<tool id="OpenSwathWorkflow" name="OpenSwathWorkflow" version="2.0.0"> + <description>Complete workflow to run OpenSWATH</description> + <macros> + <token name="@EXECUTABLE@">OpenSwathWorkflow</token> + <import>macros.xml</import> + </macros> + <expand macro="stdio"/> + <expand macro="requirements"/> + <command>OpenSwathWorkflow + +-in + #for token in $param_in: + $token + #end for +#if $param_tr: + -tr $param_tr +#end if +#if $param_tr_type: + -tr_type + #if " " in str($param_tr_type): + "$param_tr_type" + #else + $param_tr_type + #end if +#end if +#if $param_tr_irt: + -tr_irt $param_tr_irt +#end if +#if $param_out_features: + -out_features $param_out_features +#end if +#if $param_out_tsv: + -out_tsv "$param_out_tsv" +#end if +#if $param_out_chrom: + -out_chrom $param_out_chrom +#end if +#if $param_rt_extraction_window: + -rt_extraction_window $param_rt_extraction_window +#end if +#if $param_mz_extraction_window: + -mz_extraction_window $param_mz_extraction_window +#end if +#if $param_ppm: + -ppm +#end if +-threads \${GALAXY_SLOTS:-24} +#if $param_Scoring_stop_report_after_feature: + -Scoring:stop_report_after_feature $param_Scoring_stop_report_after_feature +#end if +#if $param_Scoring_rt_normalization_factor: + -Scoring:rt_normalization_factor $param_Scoring_rt_normalization_factor +#end if +#if $param_Scoring_TransitionGroupPicker_stop_after_feature: + -Scoring:TransitionGroupPicker:stop_after_feature $param_Scoring_TransitionGroupPicker_stop_after_feature +#end if +#if $param_Scoring_TransitionGroupPicker_min_peak_width: + -Scoring:TransitionGroupPicker:min_peak_width $param_Scoring_TransitionGroupPicker_min_peak_width +#end if +#if $param_Scoring_TransitionGroupPicker_recalculate_peaks: + -Scoring:TransitionGroupPicker:recalculate_peaks "$param_Scoring_TransitionGroupPicker_recalculate_peaks" +#end if +#if $param_Scoring_TransitionGroupPicker_recalculate_peaks_max_z: + -Scoring:TransitionGroupPicker:recalculate_peaks_max_z $param_Scoring_TransitionGroupPicker_recalculate_peaks_max_z +#end if +#if $param_Scoring_TransitionGroupPicker_minimal_quality: + -Scoring:TransitionGroupPicker:minimal_quality $param_Scoring_TransitionGroupPicker_minimal_quality +#end if +#if $param_Scoring_TransitionGroupPicker_compute_peak_quality: + -Scoring:TransitionGroupPicker:compute_peak_quality "$param_Scoring_TransitionGroupPicker_compute_peak_quality" +#end if +#if $param_Scoring_TransitionGroupPicker_PeakPickerMRM_sgolay_frame_length: + -Scoring:TransitionGroupPicker:PeakPickerMRM:sgolay_frame_length $param_Scoring_TransitionGroupPicker_PeakPickerMRM_sgolay_frame_length +#end if +#if $param_Scoring_TransitionGroupPicker_PeakPickerMRM_sgolay_polynomial_order: + -Scoring:TransitionGroupPicker:PeakPickerMRM:sgolay_polynomial_order $param_Scoring_TransitionGroupPicker_PeakPickerMRM_sgolay_polynomial_order +#end if +#if $param_Scoring_TransitionGroupPicker_PeakPickerMRM_gauss_width: + -Scoring:TransitionGroupPicker:PeakPickerMRM:gauss_width $param_Scoring_TransitionGroupPicker_PeakPickerMRM_gauss_width +#end if +#if $param_Scoring_TransitionGroupPicker_PeakPickerMRM_use_gauss: + -Scoring:TransitionGroupPicker:PeakPickerMRM:use_gauss "$param_Scoring_TransitionGroupPicker_PeakPickerMRM_use_gauss" +#end if +#if $param_Scoring_TransitionGroupPicker_PeakPickerMRM_peak_width: + -Scoring:TransitionGroupPicker:PeakPickerMRM:peak_width $param_Scoring_TransitionGroupPicker_PeakPickerMRM_peak_width +#end if +#if $param_Scoring_TransitionGroupPicker_PeakPickerMRM_signal_to_noise: + -Scoring:TransitionGroupPicker:PeakPickerMRM:signal_to_noise $param_Scoring_TransitionGroupPicker_PeakPickerMRM_signal_to_noise +#end if +#if $param_Scoring_TransitionGroupPicker_PeakPickerMRM_remove_overlapping_peaks: + -Scoring:TransitionGroupPicker:PeakPickerMRM:remove_overlapping_peaks +#end if +#if $param_Scoring_TransitionGroupPicker_PeakPickerMRM_method: + -Scoring:TransitionGroupPicker:PeakPickerMRM:method + #if " " in str($param_Scoring_TransitionGroupPicker_PeakPickerMRM_method): + "$param_Scoring_TransitionGroupPicker_PeakPickerMRM_method" + #else + $param_Scoring_TransitionGroupPicker_PeakPickerMRM_method + #end if +#end if +#if $param_Scoring_DIAScoring_dia_extraction_window: + -Scoring:DIAScoring:dia_extraction_window $param_Scoring_DIAScoring_dia_extraction_window +#end if +#if $param_Scoring_DIAScoring_dia_centroided: + -Scoring:DIAScoring:dia_centroided +#end if +#if $param_Scoring_DIAScoring_dia_byseries_intensity_min: + -Scoring:DIAScoring:dia_byseries_intensity_min $param_Scoring_DIAScoring_dia_byseries_intensity_min +#end if +#if $param_Scoring_DIAScoring_dia_byseries_ppm_diff: + -Scoring:DIAScoring:dia_byseries_ppm_diff $param_Scoring_DIAScoring_dia_byseries_ppm_diff +#end if +#if $param_Scoring_DIAScoring_dia_nr_isotopes: + -Scoring:DIAScoring:dia_nr_isotopes $param_Scoring_DIAScoring_dia_nr_isotopes +#end if +#if $param_Scoring_DIAScoring_dia_nr_charges: + -Scoring:DIAScoring:dia_nr_charges $param_Scoring_DIAScoring_dia_nr_charges +#end if +#if $param_Scoring_DIAScoring_peak_before_mono_max_ppm_diff: + -Scoring:DIAScoring:peak_before_mono_max_ppm_diff $param_Scoring_DIAScoring_peak_before_mono_max_ppm_diff +#end if +#if $param_Scoring_EMGScoring_max_iteration: + -Scoring:EMGScoring:max_iteration $param_Scoring_EMGScoring_max_iteration +#end if +#if $param_Scoring_EMGScoring_deltaRelError: + -Scoring:EMGScoring:deltaRelError $param_Scoring_EMGScoring_deltaRelError +#end if +#if $adv_opts.adv_opts_selector=='advanced': + #if $adv_opts.param_rt_norm: + -rt_norm $adv_opts.param_rt_norm +#end if + #if $adv_opts.param_swath_windows_file: + -swath_windows_file $adv_opts.param_swath_windows_file +#end if + #if $adv_opts.param_sort_swath_maps: + -sort_swath_maps +#end if + #if $adv_opts.param_use_ms1_traces: + -use_ms1_traces +#end if + #if $adv_opts.param_min_upper_edge_dist: + -min_upper_edge_dist $adv_opts.param_min_upper_edge_dist +#end if + #if $adv_opts.param_extra_rt_extraction_window: + -extra_rt_extraction_window $adv_opts.param_extra_rt_extraction_window +#end if + #if $adv_opts.param_min_rsq: + -min_rsq $adv_opts.param_min_rsq +#end if + #if $adv_opts.param_min_coverage: + -min_coverage $adv_opts.param_min_coverage +#end if + #if $adv_opts.param_split_file_input: + -split_file_input +#end if + #if $adv_opts.param_use_elution_model_score: + -use_elution_model_score +#end if + #if $adv_opts.param_readOptions: + -readOptions + #if " " in str($adv_opts.param_readOptions): + "$adv_opts.param_readOptions" + #else + $adv_opts.param_readOptions + #end if +#end if + #if $adv_opts.param_tempDirectory: + -tempDirectory "$adv_opts.param_tempDirectory" +#end if + #if $adv_opts.param_extraction_function: + -extraction_function + #if " " in str($adv_opts.param_extraction_function): + "$adv_opts.param_extraction_function" + #else + $adv_opts.param_extraction_function + #end if +#end if + #if $adv_opts.param_batchSize: + -batchSize $adv_opts.param_batchSize +#end if + #if $adv_opts.param_force: + -force +#end if + #if $adv_opts.param_Scoring_quantification_cutoff: + -Scoring:quantification_cutoff $adv_opts.param_Scoring_quantification_cutoff +#end if + #if $adv_opts.param_Scoring_write_convex_hull: + -Scoring:write_convex_hull +#end if + #if $adv_opts.param_Scoring_Scores_use_shape_score: + -Scoring:Scores:use_shape_score +#end if + #if $adv_opts.param_Scoring_Scores_use_coelution_score: + -Scoring:Scores:use_coelution_score +#end if + #if $adv_opts.param_Scoring_Scores_use_rt_score: + -Scoring:Scores:use_rt_score +#end if + #if $adv_opts.param_Scoring_Scores_use_library_score: + -Scoring:Scores:use_library_score +#end if + #if $adv_opts.param_Scoring_Scores_use_intensity_score: + -Scoring:Scores:use_intensity_score +#end if + #if $adv_opts.param_Scoring_Scores_use_nr_peaks_score: + -Scoring:Scores:use_nr_peaks_score +#end if + #if $adv_opts.param_Scoring_Scores_use_total_xic_score: + -Scoring:Scores:use_total_xic_score +#end if + #if $adv_opts.param_Scoring_Scores_use_sn_score: + -Scoring:Scores:use_sn_score +#end if + #if $adv_opts.param_Scoring_Scores_use_dia_scores: + -Scoring:Scores:use_dia_scores +#end if + #if $adv_opts.param_Scoring_Scores_use_ms1_correlation: + -Scoring:Scores:use_ms1_correlation +#end if + #if $adv_opts.param_Scoring_Scores_use_ms1_fullscan: + -Scoring:Scores:use_ms1_fullscan +#end if +#end if +</command> + <inputs> + <param name="param_in" type="data" format="mzxml,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','tsv' or 'csv')" help="(-tr) "/> + <param name="param_tr_type" type="select" optional="True" label="input file type -- default: determined from file extension or content" help="(-tr_type) "> + <option value="traML">traML</option> + <option value="tsv">tsv</option> + <option value="csv">csv</option> + </param> + <param name="param_tr_irt" type="data" format="traml" optional="True" label="transition file ('TraML')" help="(-tr_irt) "/> + <param name="param_out_tsv" type="text" size="30" label="TSV output file (mProphet compatible)" help="(-out_tsv) "> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_rt_extraction_window" type="float" value="600.0" label="Only extract RT around this value (-1 means extract over the whole range, a value of 600 means to extract around +/- 300 s of the expected elution)" help="(-rt_extraction_window) "/> + <param name="param_mz_extraction_window" type="float" min="0.0" optional="True" value="0.05" label="Extraction window used (in Thomson, to use ppm see -ppm flag)" help="(-mz_extraction_window) "/> + <param name="param_ppm" type="boolean" truevalue="-ppm" falsevalue="" checked="false" optional="True" label="m/z extraction_window is in ppm" help="(-ppm) "/> + <param name="param_Scoring_stop_report_after_feature" type="integer" value="-1" label="Stop reporting after feature (ordered by quality; -1 means do not stop)" help="(-stop_report_after_feature) "/> + <param name="param_Scoring_rt_normalization_factor" type="float" value="100.0" label="The normalized RT is expected to be between 0 and 1. If your normalized RT has a different range, pass this here (" help="(-rt_normalization_factor) e.g. it goes from 0 to 100, set this value to 100)"/> + <param name="param_Scoring_TransitionGroupPicker_stop_after_feature" type="integer" value="-1" label="Stop finding after feature (ordered by intensity; -1 means do not stop)" help="(-stop_after_feature) "/> + <param name="param_Scoring_TransitionGroupPicker_min_peak_width" type="float" value="14.0" label="Minimal peak width (s), discard all peaks below this value (-1 means no action)" help="(-min_peak_width) "/> + <param name="param_Scoring_TransitionGroupPicker_recalculate_peaks" type="text" size="30" value="true" label="Tries to get better peak picking by looking at peak consistency of all picked peaks" help="(-recalculate_peaks) Tries to use the consensus (median) peak border if theof variation within the picked peaks is too large"> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_Scoring_TransitionGroupPicker_recalculate_peaks_max_z" type="float" value="0.75" label="Determines the maximal Z-Score (difference measured in standard deviations) that is considered too large for peak boundaries" help="(-recalculate_peaks_max_z) If the Z-Score is above this value, the median is used for peak boundaries (default value 1.0)"/> + <param name="param_Scoring_TransitionGroupPicker_minimal_quality" type="float" value="-1.5" label="Only if compute_peak_quality is set, this parameter will not consider peaks below this quality threshold" help="(-minimal_quality) "/> + <param name="param_Scoring_TransitionGroupPicker_compute_peak_quality" type="text" size="30" value="true" label="Tries to compute a quality value for each peakgroup and detect outlier transitions" help="(-compute_peak_quality) The resulting score is centered around zero and values above 0 are generally good and below -1 or -2 are usually bad"> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_Scoring_TransitionGroupPicker_PeakPickerMRM_sgolay_frame_length" type="integer" value="11" label="The number of subsequent data points used for smoothing" help="(-sgolay_frame_length) <br>This number has to be uneven. If it is not, 1 will be added"/> + <param name="param_Scoring_TransitionGroupPicker_PeakPickerMRM_sgolay_polynomial_order" type="integer" value="3" label="Order of the polynomial that is fitted" help="(-sgolay_polynomial_order) "/> + <param name="param_Scoring_TransitionGroupPicker_PeakPickerMRM_gauss_width" type="float" value="30.0" label="Gaussian width in seconds, estimated peak size" help="(-gauss_width) "/> + <param name="param_Scoring_TransitionGroupPicker_PeakPickerMRM_use_gauss" type="text" size="30" value="false" label="Use Gaussian filter for smoothing (alternative is Savitzky-Golay filter)" help="(-use_gauss) "> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <param name="param_Scoring_TransitionGroupPicker_PeakPickerMRM_peak_width" type="float" value="-1.0" label="Force a certain minimal peak_width on the data (" help="(-peak_width) e.g. extend the peak at least by this amount on both sides) in seconds. -1 turns this feature off"/> + <param name="param_Scoring_TransitionGroupPicker_PeakPickerMRM_signal_to_noise" type="float" min="0.0" optional="True" value="0.1" label="Signal-to-noise threshold at which a peak will not be extended any more. Note that setting this too high (" help="(-signal_to_noise) e.g. 1.0) can lead to peaks whose flanks are not fully captured"/> + <param name="param_Scoring_TransitionGroupPicker_PeakPickerMRM_remove_overlapping_peaks" type="boolean" truevalue="-Scoring:TransitionGroupPicker:PeakPickerMRM:remove_overlapping_peaks" falsevalue="" checked="true" optional="True" label="Try to remove overlapping peaks during peak picking" help="(-remove_overlapping_peaks) "/> + <param name="param_Scoring_TransitionGroupPicker_PeakPickerMRM_method" type="select" optional="True" value="corrected" label="Which method to choose for chromatographic peak-picking (OpenSWATH legacy, corrected picking or Crawdad)" help="(-method) "> + <option value="legacy">legacy</option> + <option value="corrected">corrected</option> + <option value="crawdad">crawdad</option> + </param> + <param name="param_Scoring_DIAScoring_dia_extraction_window" type="float" min="0.0" optional="True" value="0.05" label="DIA extraction window in Th" help="(-dia_extraction_window) "/> + <param name="param_Scoring_DIAScoring_dia_centroided" type="boolean" truevalue="-Scoring:DIAScoring:dia_centroided" falsevalue="" checked="false" optional="True" label="Use centroded DIA data" help="(-dia_centroided) "/> + <param name="param_Scoring_DIAScoring_dia_byseries_intensity_min" type="float" min="0.0" optional="True" value="300.0" label="DIA b/y series minimum intensity to conside" help="(-dia_byseries_intensity_min) "/> + <param name="param_Scoring_DIAScoring_dia_byseries_ppm_diff" type="float" min="0.0" optional="True" value="10.0" label="DIA b/y series minimal difference in ppm to conside" help="(-dia_byseries_ppm_diff) "/> + <param name="param_Scoring_DIAScoring_dia_nr_isotopes" type="integer" min="0" optional="True" value="4" label="DIA nr of isotopes to conside" help="(-dia_nr_isotopes) "/> + <param name="param_Scoring_DIAScoring_dia_nr_charges" type="integer" min="0" optional="True" value="4" label="DIA nr of charges to conside" help="(-dia_nr_charges) "/> + <param name="param_Scoring_DIAScoring_peak_before_mono_max_ppm_diff" type="float" min="0.0" optional="True" value="20.0" label="DIA maximal difference in ppm to count a peak at lower m/z when searching for evidence that a peak might not be monoisotopic" help="(-peak_before_mono_max_ppm_diff) "/> + <param name="param_Scoring_EMGScoring_max_iteration" type="integer" value="10" label="Maximum number of iterations using by Levenberg-Marquardt algorithm" help="(-max_iteration) "/> + <param name="param_Scoring_EMGScoring_deltaRelError" type="float" value="0.1" label="" help="(-deltaRelError) "/> + <expand macro="advanced_options"> + <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) If set, tr_irt may be omitted"/> + <param name="param_swath_windows_file" type="data" format="text" label="Optional, tab separated file containing the SWATH windows: lower_offset upper_offset \newline 400 425 \newline .." help="(-swath_windows_file) Note that the first line is a header and will be skipped"/> + <param name="param_sort_swath_maps" type="boolean" truevalue="-sort_swath_maps" falsevalue="" checked="false" optional="True" label="Sort of input SWATH files when matching to SWATH windows from swath_windows_file" help="(-sort_swath_maps) "/> + <param name="param_use_ms1_traces" type="boolean" truevalue="-use_ms1_traces" falsevalue="" checked="false" optional="True" label="Extract the precursor ion trace(s) and use for scoring" help="(-use_ms1_traces) "/> + <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_extra_rt_extraction_window" type="float" min="0.0" optional="True" value="0.0" label="Output an XIC with a RT-window that by this much larger (" help="(-extra_rt_extraction_window) e.g. to visually inspect a larger area of the chromatogram)"/> + <param name="param_min_rsq" type="float" value="0.95" label="Minimum r-squared of RT peptides regression" help="(-min_rsq) "/> + <param name="param_min_coverage" type="float" value="0.6" label="Minimum relative amount of RT peptides to keep" help="(-min_coverage) "/> + <param name="param_split_file_input" type="boolean" truevalue="-split_file_input" falsevalue="" checked="false" optional="True" label="The input files each contain one single SWATH (alternatively: all SWATH are in separate files)" help="(-split_file_input) "/> + <param name="param_use_elution_model_score" type="boolean" truevalue="-use_elution_model_score" falsevalue="" checked="false" optional="True" label="Turn on elution model score (EMG fit to peak)" help="(-use_elution_model_score) "/> + <param name="param_readOptions" type="select" optional="True" value="normal" label="Whether to run OpenSWATH directly on the input data, cache data to disk first or to perform a datareduction step first" help="(-readOptions) If you choose cache, make sure to also set tempDirectory"> + <option value="normal">normal</option> + <option value="cache">cache</option> + </param> + <param name="param_tempDirectory" type="text" size="30" value="/tmp/" label="Temporary directory to store cached files for example" help="(-tempDirectory) "> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + <remove value="""/> + </valid> + </sanitizer> + </param> + <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_batchSize" type="integer" min="0" optional="True" value="0" label="The batch size of chromatograms to process (0 means to only have one batch, sensible values are around 500-1000)" help="(-batchSize) "/> + <param name="param_force" type="boolean" truevalue="-force" falsevalue="" checked="false" optional="True" label="Overwrite tool specific checks" help="(-force) "/> + <param name="param_Scoring_quantification_cutoff" type="float" min="0.0" optional="True" value="0.0" label="Cutoff in m/z below which peaks should not be used for quantification any more" help="(-quantification_cutoff) "/> + <param name="param_Scoring_write_convex_hull" type="boolean" truevalue="-Scoring:write_convex_hull" falsevalue="" checked="false" optional="True" label="Whether to write out all points of all features into the featureXML" help="(-write_convex_hull) "/> + <param name="param_Scoring_Scores_use_shape_score" type="boolean" truevalue="-Scoring:Scores:use_shape_score" falsevalue="" checked="true" optional="True" label="Use the shape score (this score measures the similarity in shape of the transitions using a cross-correlation)" help="(-use_shape_score) "/> + <param name="param_Scoring_Scores_use_coelution_score" type="boolean" truevalue="-Scoring:Scores:use_coelution_score" falsevalue="" checked="true" optional="True" label="Use the coelution score (this score measures the similarity in coelution of the transitions using a cross-correlation)" help="(-use_coelution_score) "/> + <param name="param_Scoring_Scores_use_rt_score" type="boolean" truevalue="-Scoring:Scores:use_rt_score" falsevalue="" checked="true" optional="True" label="Use the retention time score (this score measure the difference in retention time)" help="(-use_rt_score) "/> + <param name="param_Scoring_Scores_use_library_score" type="boolean" truevalue="-Scoring:Scores:use_library_score" falsevalue="" checked="true" optional="True" label="Use the library score" help="(-use_library_score) "/> + <param name="param_Scoring_Scores_use_intensity_score" type="boolean" truevalue="-Scoring:Scores:use_intensity_score" falsevalue="" checked="true" optional="True" label="Use the intensity score" help="(-use_intensity_score) "/> + <param name="param_Scoring_Scores_use_nr_peaks_score" type="boolean" truevalue="-Scoring:Scores:use_nr_peaks_score" falsevalue="" checked="true" optional="True" label="Use the number of peaks score" help="(-use_nr_peaks_score) "/> + <param name="param_Scoring_Scores_use_total_xic_score" type="boolean" truevalue="-Scoring:Scores:use_total_xic_score" falsevalue="" checked="true" optional="True" label="Use the total XIC score" help="(-use_total_xic_score) "/> + <param name="param_Scoring_Scores_use_sn_score" type="boolean" truevalue="-Scoring:Scores:use_sn_score" falsevalue="" checked="true" optional="True" label="Use the SN (signal to noise) score" help="(-use_sn_score) "/> + <param name="param_Scoring_Scores_use_dia_scores" type="boolean" truevalue="-Scoring:Scores:use_dia_scores" falsevalue="" checked="true" optional="True" label="Use the DIA (SWATH) scores" help="(-use_dia_scores) "/> + <param name="param_Scoring_Scores_use_ms1_correlation" type="boolean" truevalue="-Scoring:Scores:use_ms1_correlation" falsevalue="" checked="false" optional="True" label="Use the correlation scores with the MS1 elution profiles" help="(-use_ms1_correlation) "/> + <param name="param_Scoring_Scores_use_ms1_fullscan" type="boolean" truevalue="-Scoring:Scores:use_ms1_fullscan" falsevalue="" checked="false" optional="True" label="Use the full MS1 scan at the peak apex for scoring (ppm accuracy of precursor and isotopic pattern)" help="(-use_ms1_fullscan) "/> + </expand> + </inputs> + <outputs> + <data name="param_out_features" format="featurexml"/> + <data name="param_out_chrom" format="mzml"/> + </outputs> + <help>**What it does** + +Complete workflow to run OpenSWATH + + +For more information, visit http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/UTILS_OpenSwathWorkflow.html</help> + <expand macro="references"/> +</tool>