Miscellaneous |
Version lineage of this tool (guids ordered most recent to oldest) |
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_openswathworkflow/OpenSwathWorkflow/2.8+galaxy0 (this tool) |
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_openswathworkflow/OpenSwathWorkflow/2.6+galaxy0 |
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_openswathworkflow/OpenSwathWorkflow/2.5+galaxy0 |
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_openswathworkflow/OpenSwathWorkflow/2.3.0 |
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_openswathworkflow/OpenSwathWorkflow/2.2.0.1 |
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_openswathworkflow/OpenSwathWorkflow/2.1.0 |
OpenSwathWorkflow |
Requirements (dependencies defined in the <requirements> tag set) |
name | version | type |
openms | 2.8 | package |
openms-thirdparty | 2.8 | package |
omssa | 2.1.9 | package |
blast | 2.13.0 | package |
ctdopts | 1.4 | package |
Additional information about this tool |
#def quote(s): #set $s = [ _ for _ in $s.split(" ") if _ != "" ] #set $q = False #for $i, $p in enumerate($s): #if $p == "": #continue #end if #if $p.startswith('"'): #set $q = True #end if ## #if p.startswith('-'): ## #set p = "\\" + p ## #elif p.startswith('"-'): ## #set p = "\\" + p[1:] ## #end if #if not $q: #set $s[i] = '"%s"' % p #end if #if $p.endswith('"'): #set $q = False #end if #end for #return " ".join($s) #end def #def oms2gxyext(o) #set m={'txt': 'txt', 'tsv': 'tabular', 'bioml': 'xml', 'consensusXML': 'consensusxml', 'csv': 'csv', 'dta': 'dta', 'dta2d': 'dta2d', 'edta': 'edta', 'fa': 'fasta', 'fas': 'fasta', 'fasta': 'fasta', 'FASTA': 'fasta', 'featureXML': 'featurexml', 'featurexml': 'featurexml', 'html': 'html', 'HTML': 'html', 'idXML': 'idxml', 'json': 'json', 'kroenik': 'kroenik', 'mascotXML': 'mascotxml', 'mgf': 'mgf', 'mrm': 'mrm', 'ms': 'sirius.ms', 'ms2': 'ms2', 'msp': 'msp', 'mzData': 'mzdata', 'mzid': 'mzid', 'mzML': 'mzml', 'mzml': 'mzml', 'mzq': 'mzq', 'mzQC': 'mzqc', 'mzTab': 'mztab', 'mzXML': 'mzxml', 'novor': 'txt', 'obo': 'obo', 'oms': 'sqlite', 'omssaXML': 'idxml', 'osw': 'osw', 'OSW': 'osw', 'params': 'txt', 'paramXML': 'paramxml', 'peplist': 'peplist', 'pep.xml': 'pepxml', 'pepXML': 'pepxml', 'png': 'png', 'PNG': 'png', 'protXML': 'protxml', 'psms': 'psms', 'pqp': 'pqp', 'qcML': 'qcml', 'spec.xml': 'spec.xml', 'splib': 'splib', 'sqMass': 'sqmass', 'tandem.xml': 'tandem', 'trafoXML': 'trafoxml', 'traML': 'traml', 'TraML': 'traml', 'tab': 'tabular', 'raw': 'thermo.raw', 'xls': 'tsv', 'XML': 'xml', 'xml': 'xml', 'xquest.xml': 'xquest.xml', 'xsd': 'xml'} #return m[o] #end def #def gxy2omsext(g) #set m={'txt': 'txt', 'tabular': 'tsv', 'xml': 'bioml', 'consensusxml': 'consensusXML', 'csv': 'csv', 'dta': 'dta', 'dta2d': 'dta2d', 'edta': 'edta', 'fasta': 'fa', 'featurexml': 'featureXML', 'html': 'html', 'idxml': 'idXML', 'json': 'json', 'kroenik': 'kroenik', 'mascotxml': 'mascotXML', 'mgf': 'mgf', 'mrm': 'mrm', 'sirius.ms': 'ms', 'ms2': 'ms2', 'msp': 'msp', 'mzdata': 'mzData', 'mzid': 'mzid', 'mzml': 'mzML', 'mzq': 'mzq', 'mzqc': 'mzQC', 'mztab': 'mzTab', 'mzxml': 'mzXML', 'obo': 'obo', 'sqlite': 'oms', 'osw': 'osw', 'paramxml': 'paramXML', 'peff': 'fasta', 'peplist': 'peplist', 'pepxml': 'pep.xml', 'png': 'png', 'protxml': 'protXML', 'psms': 'psms', 'pqp': 'pqp', 'qcml': 'qcML', 'spec.xml': 'spec.xml', 'splib': 'splib', 'sqmass': 'sqMass', 'tandem': 'tandem.xml', 'trafoxml': 'trafoXML', 'traml': 'traML', 'thermo.raw': 'raw', 'tsv': 'xls', 'xquest.xml': 'xquest.xml'} #return m[g] #end def #import re ## Preprocessing mkdir in && ln -s '$in' 'in/${re.sub("[^\w\-_]", "_", $in.element_identifier)}.$gxy2omsext($in.ext)' && mkdir tr && ln -s '$tr' 'tr/${re.sub("[^\w\-_]", "_", $tr.element_identifier)}.$gxy2omsext($tr.ext)' && #if $tr_irt: mkdir tr_irt && ln -s '$tr_irt' 'tr_irt/${re.sub("[^\w\-_]", "_", $tr_irt.element_identifier)}.$gxy2omsext($tr_irt.ext)' && #end if #if $tr_irt_nonlinear: mkdir tr_irt_nonlinear && ln -s '$tr_irt_nonlinear' 'tr_irt_nonlinear/${re.sub("[^\w\-_]", "_", $tr_irt_nonlinear.element_identifier)}.$gxy2omsext($tr_irt_nonlinear.ext)' && #end if #if $swath_windows_file: mkdir swath_windows_file && ln -s '$swath_windows_file' 'swath_windows_file/${re.sub("[^\w\-_]", "_", $swath_windows_file.element_identifier)}.$gxy2omsext($swath_windows_file.ext)' && #end if #if "out_features_FLAG" in str($OPTIONAL_OUTPUTS).split(',') mkdir out_features && #end if #if "out_tsv_FLAG" in str($OPTIONAL_OUTPUTS).split(',') mkdir out_tsv && #end if #if "out_osw_FLAG" in str($OPTIONAL_OUTPUTS).split(',') mkdir out_osw && #end if #if "out_chrom_FLAG" in str($OPTIONAL_OUTPUTS).split(',') mkdir out_chrom && #end if #if "out_qc_FLAG" in str($OPTIONAL_OUTPUTS).split(',') mkdir out_qc && #end if #if "irt_mzml_FLAG" in str($OPTIONAL_OUTPUTS).split(',') mkdir Debugging_irt_mzml && #end if #if "irt_trafo_FLAG" in str($OPTIONAL_OUTPUTS).split(',') mkdir Debugging_irt_trafo && #end if #if $adv_opts.rt_norm: mkdir adv_opts.rt_norm && ln -s '$adv_opts.rt_norm' 'adv_opts.rt_norm/${re.sub("[^\w\-_]", "_", $adv_opts.rt_norm.element_identifier)}.$gxy2omsext($adv_opts.rt_norm.ext)' && #end if ## Main program call set -o pipefail && OpenSwathWorkflow -write_ctd ./ && python3 '$__tool_directory__/fill_ctd.py' 'OpenSwathWorkflow.ctd' '$args_json' '$hardcoded_json' && OpenSwathWorkflow -ini OpenSwathWorkflow.ctd -in 'in/${re.sub("[^\w\-_]", "_", $in.element_identifier)}.$gxy2omsext($in.ext)' -tr 'tr/${re.sub("[^\w\-_]", "_", $tr.element_identifier)}.$gxy2omsext($tr.ext)' #if $tr_irt: -tr_irt 'tr_irt/${re.sub("[^\w\-_]", "_", $tr_irt.element_identifier)}.$gxy2omsext($tr_irt.ext)' #end if #if $tr_irt_nonlinear: -tr_irt_nonlinear 'tr_irt_nonlinear/${re.sub("[^\w\-_]", "_", $tr_irt_nonlinear.element_identifier)}.$gxy2omsext($tr_irt_nonlinear.ext)' #end if #if $swath_windows_file: -swath_windows_file 'swath_windows_file/${re.sub("[^\w\-_]", "_", $swath_windows_file.element_identifier)}.$gxy2omsext($swath_windows_file.ext)' #end if #if "out_features_FLAG" in str($OPTIONAL_OUTPUTS).split(',') -out_features 'out_features/output.${gxy2omsext("featurexml")}' #end if #if "out_tsv_FLAG" in str($OPTIONAL_OUTPUTS).split(',') -out_tsv 'out_tsv/output.${gxy2omsext("tabular")}' #end if #if "out_osw_FLAG" in str($OPTIONAL_OUTPUTS).split(',') -out_osw 'out_osw/output.${gxy2omsext("osw")}' #end if #if "out_chrom_FLAG" in str($OPTIONAL_OUTPUTS).split(',') -out_chrom 'out_chrom/output.${adv_opts.out_chrom_type}' #end if #if "out_qc_FLAG" in str($OPTIONAL_OUTPUTS).split(',') -out_qc 'out_qc/output.${gxy2omsext("json")}' #end if #if "irt_mzml_FLAG" in str($OPTIONAL_OUTPUTS).split(',') -Debugging:irt_mzml 'Debugging_irt_mzml/output.${gxy2omsext("mzml")}' #end if #if "irt_trafo_FLAG" in str($OPTIONAL_OUTPUTS).split(',') -Debugging:irt_trafo 'Debugging_irt_trafo/output.${gxy2omsext("trafoxml")}' #end if #if $adv_opts.rt_norm: -rt_norm 'adv_opts.rt_norm/${re.sub("[^\w\-_]", "_", $adv_opts.rt_norm.element_identifier)}.$gxy2omsext($adv_opts.rt_norm.ext)' #end if #if len(str($OPTIONAL_OUTPUTS).split(',')) == 0 | tee '$stdout' #end if ## Postprocessing #if "out_features_FLAG" in str($OPTIONAL_OUTPUTS).split(',') && mv 'out_features/output.${gxy2omsext("featurexml")}' '$out_features' #end if #if "out_tsv_FLAG" in str($OPTIONAL_OUTPUTS).split(',') && mv 'out_tsv/output.${gxy2omsext("tabular")}' '$out_tsv' #end if #if "out_osw_FLAG" in str($OPTIONAL_OUTPUTS).split(',') && mv 'out_osw/output.${gxy2omsext("osw")}' '$out_osw' #end if #if "out_chrom_FLAG" in str($OPTIONAL_OUTPUTS).split(',') && mv 'out_chrom/output.${adv_opts.out_chrom_type}' '$out_chrom' #end if #if "out_qc_FLAG" in str($OPTIONAL_OUTPUTS).split(',') && mv 'out_qc/output.${gxy2omsext("json")}' '$out_qc' #end if #if "irt_mzml_FLAG" in str($OPTIONAL_OUTPUTS).split(',') && mv 'Debugging_irt_mzml/output.${gxy2omsext("mzml")}' '$Debugging_irt_mzml' #end if #if "irt_trafo_FLAG" in str($OPTIONAL_OUTPUTS).split(',') && mv 'Debugging_irt_trafo/output.${gxy2omsext("trafoxml")}' '$Debugging_irt_trafo' #end if #if "ctd_out_FLAG" in $OPTIONAL_OUTPUTS && mv 'OpenSwathWorkflow.ctd' '$ctd_out' #end if
Functional tests |
name | inputs | outputs | required files |
Test-1 |
in: OpenSwathWorkflow_1_input.mzML tr: OpenSwathWorkflow_1_input.TraML sonar: False rt_extraction_window: 600.0 ion_mobility_window: -1.0 mz_extraction_window: 50.0 mz_extraction_window_ms1: 50.0 im_extraction_window_ms1: -1.0 Calibration|ms1_im_calibration: False Calibration|im_correction_function: linear Calibration|debug_im_file: Calibration|debug_mz_file: Library|retentionTimeInterpretation: iRT Library|override_group_label_check: False Library|force_invalid_mods: False RTNormalization|alignmentMethod: linear RTNormalization|outlierMethod: iter_residual RTNormalization|useIterativeChauvenet: False RTNormalization|RANSACMaxIterations: 1000 RTNormalization|RANSACMaxPercentRTThreshold: 3 RTNormalization|RANSACSamplingSize: 10 RTNormalization|estimateBestPeptides: False RTNormalization|InitialQualityCutoff: 0.5 RTNormalization|OverallQualityCutoff: 5.5 RTNormalization|NrRTBins: 10 RTNormalization|MinPeptidesPerBin: 1 RTNormalization|MinBinsFilled: 8 RTNormalization|lowess|span: 0.05 RTNormalization|b_spline|num_nodes: 5 Scoring|stop_report_after_feature: 5 Scoring|rt_normalization_factor: 100.0 Scoring|quantification_cutoff: 0.0 Scoring|write_convex_hull: False Scoring|spectrum_addition_method: simple Scoring|add_up_spectra: 1 Scoring|spacing_for_spectra_resampling: 0.005 Scoring|uis_threshold_sn: -1 Scoring|uis_threshold_peak_area: 0 Scoring|scoring_model: default Scoring|im_extra_drift: 0.0 Scoring|strict: True Scoring|TransitionGroupPicker|stop_after_feature: -1 Scoring|TransitionGroupPicker|min_peak_width: -1.0 Scoring|TransitionGroupPicker|peak_integration: original Scoring|TransitionGroupPicker|background_subtraction: none Scoring|TransitionGroupPicker|recalculate_peaks: True Scoring|TransitionGroupPicker|use_precursors: False Scoring|TransitionGroupPicker|use_consensus: True Scoring|TransitionGroupPicker|recalculate_peaks_max_z: 0.75 Scoring|TransitionGroupPicker|minimal_quality: -1.5 Scoring|TransitionGroupPicker|resample_boundary: 15.0 Scoring|TransitionGroupPicker|compute_peak_quality: False Scoring|TransitionGroupPicker|compute_peak_shape_metrics: False Scoring|TransitionGroupPicker|compute_total_mi: False Scoring|TransitionGroupPicker|boundary_selection_method: largest Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_frame_length: 11 Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_polynomial_order: 3 Scoring|TransitionGroupPicker|PeakPickerMRM|gauss_width: 30.0 Scoring|TransitionGroupPicker|PeakPickerMRM|use_gauss: False Scoring|TransitionGroupPicker|PeakPickerMRM|peak_width: -1.0 Scoring|TransitionGroupPicker|PeakPickerMRM|signal_to_noise: 0.1 Scoring|TransitionGroupPicker|PeakPickerMRM|write_sn_log_messages: False Scoring|TransitionGroupPicker|PeakPickerMRM|remove_overlapping_peaks: True Scoring|TransitionGroupPicker|PeakPickerMRM|method: corrected Scoring|TransitionGroupPicker|PeakIntegrator|integration_type: intensity_sum Scoring|TransitionGroupPicker|PeakIntegrator|baseline_type: base_to_base Scoring|TransitionGroupPicker|PeakIntegrator|fit_EMG: False Scoring|DIAScoring|dia_extraction_window: 0.05 Scoring|DIAScoring|dia_extraction_unit: Th Scoring|DIAScoring|dia_centroided: False Scoring|DIAScoring|dia_byseries_intensity_min: 300.0 Scoring|DIAScoring|dia_byseries_ppm_diff: 10.0 Scoring|DIAScoring|dia_nr_isotopes: 4 Scoring|DIAScoring|dia_nr_charges: 4 Scoring|DIAScoring|peak_before_mono_max_ppm_diff: 20.0 Scoring|EMGScoring|max_iteration: 10 Scoring|EMGScoring|init_mom: False Scoring|Scores|use_shape_score: True Scoring|Scores|use_coelution_score: True Scoring|Scores|use_rt_score: True Scoring|Scores|use_library_score: True Scoring|Scores|use_intensity_score: True Scoring|Scores|use_nr_peaks_score: True Scoring|Scores|use_total_xic_score: True Scoring|Scores|use_total_mi_score: False Scoring|Scores|use_sn_score: True Scoring|Scores|use_mi_score: True Scoring|Scores|use_dia_scores: True Scoring|Scores|use_ms1_correlation: False Scoring|Scores|use_sonar_scores: False Scoring|Scores|use_ion_mobility_scores: False Scoring|Scores|use_ms1_fullscan: False Scoring|Scores|use_ms1_mi: True Scoring|Scores|use_uis_scores: False Scoring|Scores|use_ionseries_scores: True Scoring|Scores|use_ms2_isotope_scores: True adv_opts|rt_norm: OpenSwathWorkflow_1_input.trafoXML adv_opts|sort_swath_maps: False adv_opts|enable_ms1: False adv_opts|enable_ipf: True adv_opts|out_chrom_type: mzML adv_opts|min_upper_edge_dist: 0.0 adv_opts|extra_rt_extraction_window: 0.0 adv_opts|mz_extraction_window_unit: ppm adv_opts|mz_extraction_window_ms1_unit: ppm adv_opts|use_ms1_ion_mobility: True adv_opts|matching_window_only: False adv_opts|irt_mz_extraction_window: 50.0 adv_opts|irt_mz_extraction_window_unit: ppm adv_opts|irt_im_extraction_window: -1.0 adv_opts|min_rsq: 0.95 adv_opts|min_coverage: 0.6 adv_opts|split_file_input: False adv_opts|use_elution_model_score: False adv_opts|readOptions: normal adv_opts|mz_correction_function: none adv_opts|extraction_function: tophat adv_opts|batchSize: 1000 adv_opts|ms1_isotopes: 3 adv_opts|force: False adv_opts|test: false OPTIONAL_OUTPUTS: ['ctd_out_FLAG', 'out_features_FLAG', 'out_chrom_FLAG', 'out_qc_FLAG'] |
name: value name: value name: value name: value |
OpenSwathWorkflow_1_input.mzML OpenSwathWorkflow_1_input.TraML OpenSwathWorkflow_1_input.trafoXML value |
Test-2 |
in: OpenSwathWorkflow_2_input.mzXML tr: OpenSwathWorkflow_2_input.TraML sonar: False rt_extraction_window: 600.0 ion_mobility_window: -1.0 mz_extraction_window: 50.0 mz_extraction_window_ms1: 50.0 im_extraction_window_ms1: -1.0 Calibration|ms1_im_calibration: False Calibration|im_correction_function: linear Calibration|debug_im_file: Calibration|debug_mz_file: Library|retentionTimeInterpretation: iRT Library|override_group_label_check: False Library|force_invalid_mods: False RTNormalization|alignmentMethod: linear RTNormalization|outlierMethod: iter_residual RTNormalization|useIterativeChauvenet: False RTNormalization|RANSACMaxIterations: 1000 RTNormalization|RANSACMaxPercentRTThreshold: 3 RTNormalization|RANSACSamplingSize: 10 RTNormalization|estimateBestPeptides: False RTNormalization|InitialQualityCutoff: 0.5 RTNormalization|OverallQualityCutoff: 5.5 RTNormalization|NrRTBins: 10 RTNormalization|MinPeptidesPerBin: 1 RTNormalization|MinBinsFilled: 8 RTNormalization|lowess|span: 0.05 RTNormalization|b_spline|num_nodes: 5 Scoring|stop_report_after_feature: 5 Scoring|rt_normalization_factor: 100.0 Scoring|quantification_cutoff: 0.0 Scoring|write_convex_hull: False Scoring|spectrum_addition_method: simple Scoring|add_up_spectra: 1 Scoring|spacing_for_spectra_resampling: 0.005 Scoring|uis_threshold_sn: -1 Scoring|uis_threshold_peak_area: 0 Scoring|scoring_model: default Scoring|im_extra_drift: 0.0 Scoring|strict: True Scoring|TransitionGroupPicker|stop_after_feature: -1 Scoring|TransitionGroupPicker|min_peak_width: -1.0 Scoring|TransitionGroupPicker|peak_integration: original Scoring|TransitionGroupPicker|background_subtraction: none Scoring|TransitionGroupPicker|recalculate_peaks: True Scoring|TransitionGroupPicker|use_precursors: False Scoring|TransitionGroupPicker|use_consensus: True Scoring|TransitionGroupPicker|recalculate_peaks_max_z: 0.75 Scoring|TransitionGroupPicker|minimal_quality: -1.5 Scoring|TransitionGroupPicker|resample_boundary: 15.0 Scoring|TransitionGroupPicker|compute_peak_quality: False Scoring|TransitionGroupPicker|compute_peak_shape_metrics: False Scoring|TransitionGroupPicker|compute_total_mi: False Scoring|TransitionGroupPicker|boundary_selection_method: largest Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_frame_length: 11 Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_polynomial_order: 3 Scoring|TransitionGroupPicker|PeakPickerMRM|gauss_width: 30.0 Scoring|TransitionGroupPicker|PeakPickerMRM|use_gauss: False Scoring|TransitionGroupPicker|PeakPickerMRM|peak_width: -1.0 Scoring|TransitionGroupPicker|PeakPickerMRM|signal_to_noise: 0.1 Scoring|TransitionGroupPicker|PeakPickerMRM|write_sn_log_messages: False Scoring|TransitionGroupPicker|PeakPickerMRM|remove_overlapping_peaks: True Scoring|TransitionGroupPicker|PeakPickerMRM|method: corrected Scoring|TransitionGroupPicker|PeakIntegrator|integration_type: intensity_sum Scoring|TransitionGroupPicker|PeakIntegrator|baseline_type: base_to_base Scoring|TransitionGroupPicker|PeakIntegrator|fit_EMG: False Scoring|DIAScoring|dia_extraction_window: 0.05 Scoring|DIAScoring|dia_extraction_unit: Th Scoring|DIAScoring|dia_centroided: False Scoring|DIAScoring|dia_byseries_intensity_min: 300.0 Scoring|DIAScoring|dia_byseries_ppm_diff: 10.0 Scoring|DIAScoring|dia_nr_isotopes: 4 Scoring|DIAScoring|dia_nr_charges: 4 Scoring|DIAScoring|peak_before_mono_max_ppm_diff: 20.0 Scoring|EMGScoring|max_iteration: 10 Scoring|EMGScoring|init_mom: False Scoring|Scores|use_shape_score: True Scoring|Scores|use_coelution_score: True Scoring|Scores|use_rt_score: True Scoring|Scores|use_library_score: True Scoring|Scores|use_intensity_score: True Scoring|Scores|use_nr_peaks_score: True Scoring|Scores|use_total_xic_score: True Scoring|Scores|use_total_mi_score: False Scoring|Scores|use_sn_score: True Scoring|Scores|use_mi_score: True Scoring|Scores|use_dia_scores: True Scoring|Scores|use_ms1_correlation: False Scoring|Scores|use_sonar_scores: False Scoring|Scores|use_ion_mobility_scores: False Scoring|Scores|use_ms1_fullscan: False Scoring|Scores|use_ms1_mi: True Scoring|Scores|use_uis_scores: False Scoring|Scores|use_ionseries_scores: True Scoring|Scores|use_ms2_isotope_scores: True adv_opts|rt_norm: OpenSwathWorkflow_2_input.trafoXML adv_opts|sort_swath_maps: False adv_opts|enable_ms1: False adv_opts|enable_ipf: True adv_opts|out_chrom_type: mzML adv_opts|min_upper_edge_dist: 0.0 adv_opts|extra_rt_extraction_window: 0.0 adv_opts|mz_extraction_window_unit: ppm adv_opts|mz_extraction_window_ms1_unit: ppm adv_opts|use_ms1_ion_mobility: True adv_opts|matching_window_only: False adv_opts|irt_mz_extraction_window: 50.0 adv_opts|irt_mz_extraction_window_unit: ppm adv_opts|irt_im_extraction_window: -1.0 adv_opts|min_rsq: 0.95 adv_opts|min_coverage: 0.6 adv_opts|split_file_input: False adv_opts|use_elution_model_score: False adv_opts|readOptions: normal adv_opts|mz_correction_function: none adv_opts|extraction_function: tophat adv_opts|batchSize: 1000 adv_opts|ms1_isotopes: 3 adv_opts|force: False adv_opts|test: false OPTIONAL_OUTPUTS: ['ctd_out_FLAG', 'out_features_FLAG', 'out_chrom_FLAG'] |
name: value name: value name: value |
OpenSwathWorkflow_2_input.mzXML OpenSwathWorkflow_2_input.TraML OpenSwathWorkflow_2_input.trafoXML value |
Test-3 |
in: OpenSwathWorkflow_1_input.mzML tr: OpenSwathWorkflow_1_input.TraML sonar: False rt_extraction_window: 600.0 ion_mobility_window: -1.0 mz_extraction_window: 50.0 mz_extraction_window_ms1: 50.0 im_extraction_window_ms1: -1.0 Calibration|ms1_im_calibration: False Calibration|im_correction_function: linear Calibration|debug_im_file: Calibration|debug_mz_file: Library|retentionTimeInterpretation: iRT Library|override_group_label_check: False Library|force_invalid_mods: False RTNormalization|alignmentMethod: linear RTNormalization|outlierMethod: iter_residual RTNormalization|useIterativeChauvenet: False RTNormalization|RANSACMaxIterations: 1000 RTNormalization|RANSACMaxPercentRTThreshold: 3 RTNormalization|RANSACSamplingSize: 10 RTNormalization|estimateBestPeptides: False RTNormalization|InitialQualityCutoff: 0.5 RTNormalization|OverallQualityCutoff: 5.5 RTNormalization|NrRTBins: 10 RTNormalization|MinPeptidesPerBin: 1 RTNormalization|MinBinsFilled: 8 RTNormalization|lowess|span: 0.05 RTNormalization|b_spline|num_nodes: 5 Scoring|stop_report_after_feature: 5 Scoring|rt_normalization_factor: 100.0 Scoring|quantification_cutoff: 0.0 Scoring|write_convex_hull: False Scoring|spectrum_addition_method: simple Scoring|add_up_spectra: 1 Scoring|spacing_for_spectra_resampling: 0.005 Scoring|uis_threshold_sn: -1 Scoring|uis_threshold_peak_area: 0 Scoring|scoring_model: default Scoring|im_extra_drift: 0.0 Scoring|strict: True Scoring|TransitionGroupPicker|stop_after_feature: -1 Scoring|TransitionGroupPicker|min_peak_width: -1.0 Scoring|TransitionGroupPicker|peak_integration: original Scoring|TransitionGroupPicker|background_subtraction: none Scoring|TransitionGroupPicker|recalculate_peaks: True Scoring|TransitionGroupPicker|use_precursors: False Scoring|TransitionGroupPicker|use_consensus: True Scoring|TransitionGroupPicker|recalculate_peaks_max_z: 0.75 Scoring|TransitionGroupPicker|minimal_quality: -1.5 Scoring|TransitionGroupPicker|resample_boundary: 15.0 Scoring|TransitionGroupPicker|compute_peak_quality: False Scoring|TransitionGroupPicker|compute_peak_shape_metrics: False Scoring|TransitionGroupPicker|compute_total_mi: False Scoring|TransitionGroupPicker|boundary_selection_method: largest Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_frame_length: 11 Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_polynomial_order: 3 Scoring|TransitionGroupPicker|PeakPickerMRM|gauss_width: 30.0 Scoring|TransitionGroupPicker|PeakPickerMRM|use_gauss: False Scoring|TransitionGroupPicker|PeakPickerMRM|peak_width: -1.0 Scoring|TransitionGroupPicker|PeakPickerMRM|signal_to_noise: 0.1 Scoring|TransitionGroupPicker|PeakPickerMRM|write_sn_log_messages: False Scoring|TransitionGroupPicker|PeakPickerMRM|remove_overlapping_peaks: True Scoring|TransitionGroupPicker|PeakPickerMRM|method: corrected Scoring|TransitionGroupPicker|PeakIntegrator|integration_type: intensity_sum Scoring|TransitionGroupPicker|PeakIntegrator|baseline_type: base_to_base Scoring|TransitionGroupPicker|PeakIntegrator|fit_EMG: False Scoring|DIAScoring|dia_extraction_window: 0.05 Scoring|DIAScoring|dia_extraction_unit: Th Scoring|DIAScoring|dia_centroided: False Scoring|DIAScoring|dia_byseries_intensity_min: 300.0 Scoring|DIAScoring|dia_byseries_ppm_diff: 10.0 Scoring|DIAScoring|dia_nr_isotopes: 4 Scoring|DIAScoring|dia_nr_charges: 4 Scoring|DIAScoring|peak_before_mono_max_ppm_diff: 20.0 Scoring|EMGScoring|max_iteration: 10 Scoring|EMGScoring|init_mom: False Scoring|Scores|use_shape_score: True Scoring|Scores|use_coelution_score: True Scoring|Scores|use_rt_score: True Scoring|Scores|use_library_score: True Scoring|Scores|use_intensity_score: True Scoring|Scores|use_nr_peaks_score: True Scoring|Scores|use_total_xic_score: True Scoring|Scores|use_total_mi_score: False Scoring|Scores|use_sn_score: True Scoring|Scores|use_mi_score: True Scoring|Scores|use_dia_scores: True Scoring|Scores|use_ms1_correlation: False Scoring|Scores|use_sonar_scores: False Scoring|Scores|use_ion_mobility_scores: False Scoring|Scores|use_ms1_fullscan: False Scoring|Scores|use_ms1_mi: True Scoring|Scores|use_uis_scores: False Scoring|Scores|use_ionseries_scores: True Scoring|Scores|use_ms2_isotope_scores: True adv_opts|rt_norm: OpenSwathWorkflow_1_input.trafoXML adv_opts|sort_swath_maps: False adv_opts|enable_ms1: True adv_opts|enable_ipf: True adv_opts|out_chrom_type: mzML adv_opts|min_upper_edge_dist: 0.0 adv_opts|extra_rt_extraction_window: 0.0 adv_opts|mz_extraction_window_unit: ppm adv_opts|mz_extraction_window_ms1_unit: ppm adv_opts|use_ms1_ion_mobility: True adv_opts|matching_window_only: False adv_opts|irt_mz_extraction_window: 50.0 adv_opts|irt_mz_extraction_window_unit: ppm adv_opts|irt_im_extraction_window: -1.0 adv_opts|min_rsq: 0.95 adv_opts|min_coverage: 0.6 adv_opts|split_file_input: False adv_opts|use_elution_model_score: False adv_opts|readOptions: normal adv_opts|mz_correction_function: none adv_opts|extraction_function: tophat adv_opts|batchSize: 1000 adv_opts|ms1_isotopes: 3 adv_opts|force: False adv_opts|test: false OPTIONAL_OUTPUTS: ['ctd_out_FLAG', 'out_features_FLAG', 'out_chrom_FLAG'] |
name: value name: value name: value |
OpenSwathWorkflow_1_input.mzML OpenSwathWorkflow_1_input.TraML OpenSwathWorkflow_1_input.trafoXML value |
Test-4 |
in: OpenSwathWorkflow_1_input.mzML tr: OpenSwathWorkflow_1_input.TraML sonar: False rt_extraction_window: 600.0 ion_mobility_window: -1.0 mz_extraction_window: 50.0 mz_extraction_window_ms1: 50.0 im_extraction_window_ms1: -1.0 Calibration|ms1_im_calibration: False Calibration|im_correction_function: linear Calibration|debug_im_file: Calibration|debug_mz_file: Library|retentionTimeInterpretation: iRT Library|override_group_label_check: False Library|force_invalid_mods: False RTNormalization|alignmentMethod: linear RTNormalization|outlierMethod: iter_residual RTNormalization|useIterativeChauvenet: False RTNormalization|RANSACMaxIterations: 1000 RTNormalization|RANSACMaxPercentRTThreshold: 3 RTNormalization|RANSACSamplingSize: 10 RTNormalization|estimateBestPeptides: False RTNormalization|InitialQualityCutoff: 0.5 RTNormalization|OverallQualityCutoff: 5.5 RTNormalization|NrRTBins: 10 RTNormalization|MinPeptidesPerBin: 1 RTNormalization|MinBinsFilled: 8 RTNormalization|lowess|span: 0.05 RTNormalization|b_spline|num_nodes: 5 Scoring|stop_report_after_feature: 5 Scoring|rt_normalization_factor: 100.0 Scoring|quantification_cutoff: 0.0 Scoring|write_convex_hull: False Scoring|spectrum_addition_method: simple Scoring|add_up_spectra: 1 Scoring|spacing_for_spectra_resampling: 0.005 Scoring|uis_threshold_sn: -1 Scoring|uis_threshold_peak_area: 0 Scoring|scoring_model: default Scoring|im_extra_drift: 0.0 Scoring|strict: True Scoring|TransitionGroupPicker|stop_after_feature: -1 Scoring|TransitionGroupPicker|min_peak_width: -1.0 Scoring|TransitionGroupPicker|peak_integration: original Scoring|TransitionGroupPicker|background_subtraction: none Scoring|TransitionGroupPicker|recalculate_peaks: True Scoring|TransitionGroupPicker|use_precursors: False Scoring|TransitionGroupPicker|use_consensus: True Scoring|TransitionGroupPicker|recalculate_peaks_max_z: 0.75 Scoring|TransitionGroupPicker|minimal_quality: -1.5 Scoring|TransitionGroupPicker|resample_boundary: 15.0 Scoring|TransitionGroupPicker|compute_peak_quality: False Scoring|TransitionGroupPicker|compute_peak_shape_metrics: False Scoring|TransitionGroupPicker|compute_total_mi: False Scoring|TransitionGroupPicker|boundary_selection_method: largest Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_frame_length: 11 Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_polynomial_order: 3 Scoring|TransitionGroupPicker|PeakPickerMRM|gauss_width: 30.0 Scoring|TransitionGroupPicker|PeakPickerMRM|use_gauss: False Scoring|TransitionGroupPicker|PeakPickerMRM|peak_width: -1.0 Scoring|TransitionGroupPicker|PeakPickerMRM|signal_to_noise: 0.1 Scoring|TransitionGroupPicker|PeakPickerMRM|write_sn_log_messages: False Scoring|TransitionGroupPicker|PeakPickerMRM|remove_overlapping_peaks: True Scoring|TransitionGroupPicker|PeakPickerMRM|method: corrected Scoring|TransitionGroupPicker|PeakIntegrator|integration_type: intensity_sum Scoring|TransitionGroupPicker|PeakIntegrator|baseline_type: base_to_base Scoring|TransitionGroupPicker|PeakIntegrator|fit_EMG: False Scoring|DIAScoring|dia_extraction_window: 0.05 Scoring|DIAScoring|dia_extraction_unit: Th Scoring|DIAScoring|dia_centroided: False Scoring|DIAScoring|dia_byseries_intensity_min: 300.0 Scoring|DIAScoring|dia_byseries_ppm_diff: 10.0 Scoring|DIAScoring|dia_nr_isotopes: 4 Scoring|DIAScoring|dia_nr_charges: 4 Scoring|DIAScoring|peak_before_mono_max_ppm_diff: 20.0 Scoring|EMGScoring|max_iteration: 10 Scoring|EMGScoring|init_mom: False Scoring|Scores|use_shape_score: True Scoring|Scores|use_coelution_score: True Scoring|Scores|use_rt_score: True Scoring|Scores|use_library_score: True Scoring|Scores|use_intensity_score: True Scoring|Scores|use_nr_peaks_score: True Scoring|Scores|use_total_xic_score: True Scoring|Scores|use_total_mi_score: False Scoring|Scores|use_sn_score: True Scoring|Scores|use_mi_score: True Scoring|Scores|use_dia_scores: True Scoring|Scores|use_ms1_correlation: False Scoring|Scores|use_sonar_scores: False Scoring|Scores|use_ion_mobility_scores: False Scoring|Scores|use_ms1_fullscan: False Scoring|Scores|use_ms1_mi: True Scoring|Scores|use_uis_scores: False Scoring|Scores|use_ionseries_scores: True Scoring|Scores|use_ms2_isotope_scores: True adv_opts|rt_norm: OpenSwathWorkflow_1_input.trafoXML adv_opts|sort_swath_maps: False adv_opts|enable_ms1: True adv_opts|enable_ipf: True adv_opts|out_chrom_type: mzML adv_opts|min_upper_edge_dist: 0.0 adv_opts|extra_rt_extraction_window: 0.0 adv_opts|mz_extraction_window_unit: ppm adv_opts|mz_extraction_window_ms1_unit: ppm adv_opts|use_ms1_ion_mobility: True adv_opts|matching_window_only: False adv_opts|irt_mz_extraction_window: 50.0 adv_opts|irt_mz_extraction_window_unit: ppm adv_opts|irt_im_extraction_window: -1.0 adv_opts|min_rsq: 0.95 adv_opts|min_coverage: 0.6 adv_opts|split_file_input: False adv_opts|use_elution_model_score: False adv_opts|readOptions: normal adv_opts|mz_correction_function: none adv_opts|extraction_function: tophat adv_opts|batchSize: 1000 adv_opts|ms1_isotopes: 3 adv_opts|force: False adv_opts|test: false OPTIONAL_OUTPUTS: ['ctd_out_FLAG', 'out_tsv_FLAG', 'out_chrom_FLAG'] |
name: value name: value name: value |
OpenSwathWorkflow_1_input.mzML OpenSwathWorkflow_1_input.TraML OpenSwathWorkflow_1_input.trafoXML value |
Test-5 |
in: OpenSwathWorkflow_1_input.mzML tr: OpenSwathWorkflow_1_input.TraML sonar: False rt_extraction_window: 600.0 ion_mobility_window: -1.0 mz_extraction_window: 50.0 mz_extraction_window_ms1: 50.0 im_extraction_window_ms1: -1.0 Calibration|ms1_im_calibration: False Calibration|im_correction_function: linear Calibration|debug_im_file: Calibration|debug_mz_file: Library|retentionTimeInterpretation: iRT Library|override_group_label_check: False Library|force_invalid_mods: False RTNormalization|alignmentMethod: linear RTNormalization|outlierMethod: iter_residual RTNormalization|useIterativeChauvenet: False RTNormalization|RANSACMaxIterations: 1000 RTNormalization|RANSACMaxPercentRTThreshold: 3 RTNormalization|RANSACSamplingSize: 10 RTNormalization|estimateBestPeptides: False RTNormalization|InitialQualityCutoff: 0.5 RTNormalization|OverallQualityCutoff: 5.5 RTNormalization|NrRTBins: 10 RTNormalization|MinPeptidesPerBin: 1 RTNormalization|MinBinsFilled: 8 RTNormalization|lowess|span: 0.05 RTNormalization|b_spline|num_nodes: 5 Scoring|stop_report_after_feature: 5 Scoring|rt_normalization_factor: 100.0 Scoring|quantification_cutoff: 0.0 Scoring|write_convex_hull: False Scoring|spectrum_addition_method: simple Scoring|add_up_spectra: 1 Scoring|spacing_for_spectra_resampling: 0.005 Scoring|uis_threshold_sn: -1 Scoring|uis_threshold_peak_area: 0 Scoring|scoring_model: default Scoring|im_extra_drift: 0.0 Scoring|strict: True Scoring|TransitionGroupPicker|stop_after_feature: -1 Scoring|TransitionGroupPicker|min_peak_width: -1.0 Scoring|TransitionGroupPicker|peak_integration: original Scoring|TransitionGroupPicker|background_subtraction: none Scoring|TransitionGroupPicker|recalculate_peaks: True Scoring|TransitionGroupPicker|use_precursors: False Scoring|TransitionGroupPicker|use_consensus: True Scoring|TransitionGroupPicker|recalculate_peaks_max_z: 0.75 Scoring|TransitionGroupPicker|minimal_quality: -1.5 Scoring|TransitionGroupPicker|resample_boundary: 15.0 Scoring|TransitionGroupPicker|compute_peak_quality: False Scoring|TransitionGroupPicker|compute_peak_shape_metrics: False Scoring|TransitionGroupPicker|compute_total_mi: False Scoring|TransitionGroupPicker|boundary_selection_method: largest Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_frame_length: 11 Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_polynomial_order: 3 Scoring|TransitionGroupPicker|PeakPickerMRM|gauss_width: 30.0 Scoring|TransitionGroupPicker|PeakPickerMRM|use_gauss: False Scoring|TransitionGroupPicker|PeakPickerMRM|peak_width: -1.0 Scoring|TransitionGroupPicker|PeakPickerMRM|signal_to_noise: 0.1 Scoring|TransitionGroupPicker|PeakPickerMRM|write_sn_log_messages: False Scoring|TransitionGroupPicker|PeakPickerMRM|remove_overlapping_peaks: True Scoring|TransitionGroupPicker|PeakPickerMRM|method: corrected Scoring|TransitionGroupPicker|PeakIntegrator|integration_type: intensity_sum Scoring|TransitionGroupPicker|PeakIntegrator|baseline_type: base_to_base Scoring|TransitionGroupPicker|PeakIntegrator|fit_EMG: False Scoring|DIAScoring|dia_extraction_window: 0.05 Scoring|DIAScoring|dia_extraction_unit: Th Scoring|DIAScoring|dia_centroided: False Scoring|DIAScoring|dia_byseries_intensity_min: 300.0 Scoring|DIAScoring|dia_byseries_ppm_diff: 10.0 Scoring|DIAScoring|dia_nr_isotopes: 4 Scoring|DIAScoring|dia_nr_charges: 4 Scoring|DIAScoring|peak_before_mono_max_ppm_diff: 20.0 Scoring|EMGScoring|max_iteration: 10 Scoring|EMGScoring|init_mom: False Scoring|Scores|use_shape_score: True Scoring|Scores|use_coelution_score: True Scoring|Scores|use_rt_score: True Scoring|Scores|use_library_score: True Scoring|Scores|use_intensity_score: True Scoring|Scores|use_nr_peaks_score: True Scoring|Scores|use_total_xic_score: True Scoring|Scores|use_total_mi_score: False Scoring|Scores|use_sn_score: True Scoring|Scores|use_mi_score: True Scoring|Scores|use_dia_scores: True Scoring|Scores|use_ms1_correlation: False Scoring|Scores|use_sonar_scores: False Scoring|Scores|use_ion_mobility_scores: False Scoring|Scores|use_ms1_fullscan: False Scoring|Scores|use_ms1_mi: True Scoring|Scores|use_uis_scores: False Scoring|Scores|use_ionseries_scores: True Scoring|Scores|use_ms2_isotope_scores: True adv_opts|rt_norm: OpenSwathWorkflow_1_input.trafoXML adv_opts|sort_swath_maps: False adv_opts|enable_ms1: True adv_opts|enable_ipf: True adv_opts|out_chrom_type: mzML adv_opts|min_upper_edge_dist: 0.0 adv_opts|extra_rt_extraction_window: 0.0 adv_opts|mz_extraction_window_unit: ppm adv_opts|mz_extraction_window_ms1_unit: ppm adv_opts|use_ms1_ion_mobility: True adv_opts|matching_window_only: False adv_opts|irt_mz_extraction_window: 50.0 adv_opts|irt_mz_extraction_window_unit: ppm adv_opts|irt_im_extraction_window: -1.0 adv_opts|min_rsq: 0.95 adv_opts|min_coverage: 0.6 adv_opts|split_file_input: False adv_opts|use_elution_model_score: False adv_opts|readOptions: cache adv_opts|mz_correction_function: none adv_opts|extraction_function: tophat adv_opts|batchSize: 1000 adv_opts|ms1_isotopes: 3 adv_opts|force: False adv_opts|test: false OPTIONAL_OUTPUTS: ['ctd_out_FLAG', 'out_features_FLAG', 'out_chrom_FLAG'] |
name: value name: value name: value |
OpenSwathWorkflow_1_input.mzML OpenSwathWorkflow_1_input.TraML OpenSwathWorkflow_1_input.trafoXML value |
Test-6 |
in: OpenSwathWorkflow_1_input.mzML tr: OpenSwathWorkflow_1_input.TraML sonar: False rt_extraction_window: 600.0 ion_mobility_window: -1.0 mz_extraction_window: 50.0 mz_extraction_window_ms1: 50.0 im_extraction_window_ms1: -1.0 Calibration|ms1_im_calibration: False Calibration|im_correction_function: linear Calibration|debug_im_file: Calibration|debug_mz_file: Library|retentionTimeInterpretation: iRT Library|override_group_label_check: False Library|force_invalid_mods: False RTNormalization|alignmentMethod: linear RTNormalization|outlierMethod: iter_residual RTNormalization|useIterativeChauvenet: False RTNormalization|RANSACMaxIterations: 1000 RTNormalization|RANSACMaxPercentRTThreshold: 3 RTNormalization|RANSACSamplingSize: 10 RTNormalization|estimateBestPeptides: False RTNormalization|InitialQualityCutoff: 0.5 RTNormalization|OverallQualityCutoff: 5.5 RTNormalization|NrRTBins: 10 RTNormalization|MinPeptidesPerBin: 1 RTNormalization|MinBinsFilled: 8 RTNormalization|lowess|span: 0.05 RTNormalization|b_spline|num_nodes: 5 Scoring|stop_report_after_feature: 5 Scoring|rt_normalization_factor: 100.0 Scoring|quantification_cutoff: 0.0 Scoring|write_convex_hull: False Scoring|spectrum_addition_method: simple Scoring|add_up_spectra: 1 Scoring|spacing_for_spectra_resampling: 0.005 Scoring|uis_threshold_sn: -1 Scoring|uis_threshold_peak_area: 0 Scoring|scoring_model: default Scoring|im_extra_drift: 0.0 Scoring|strict: True Scoring|TransitionGroupPicker|stop_after_feature: -1 Scoring|TransitionGroupPicker|min_peak_width: -1.0 Scoring|TransitionGroupPicker|peak_integration: original Scoring|TransitionGroupPicker|background_subtraction: none Scoring|TransitionGroupPicker|recalculate_peaks: True Scoring|TransitionGroupPicker|use_precursors: False Scoring|TransitionGroupPicker|use_consensus: True Scoring|TransitionGroupPicker|recalculate_peaks_max_z: 0.75 Scoring|TransitionGroupPicker|minimal_quality: -1.5 Scoring|TransitionGroupPicker|resample_boundary: 15.0 Scoring|TransitionGroupPicker|compute_peak_quality: False Scoring|TransitionGroupPicker|compute_peak_shape_metrics: False Scoring|TransitionGroupPicker|compute_total_mi: False Scoring|TransitionGroupPicker|boundary_selection_method: largest Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_frame_length: 11 Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_polynomial_order: 3 Scoring|TransitionGroupPicker|PeakPickerMRM|gauss_width: 30.0 Scoring|TransitionGroupPicker|PeakPickerMRM|use_gauss: False Scoring|TransitionGroupPicker|PeakPickerMRM|peak_width: -1.0 Scoring|TransitionGroupPicker|PeakPickerMRM|signal_to_noise: 0.1 Scoring|TransitionGroupPicker|PeakPickerMRM|write_sn_log_messages: False Scoring|TransitionGroupPicker|PeakPickerMRM|remove_overlapping_peaks: True Scoring|TransitionGroupPicker|PeakPickerMRM|method: corrected Scoring|TransitionGroupPicker|PeakIntegrator|integration_type: intensity_sum Scoring|TransitionGroupPicker|PeakIntegrator|baseline_type: base_to_base Scoring|TransitionGroupPicker|PeakIntegrator|fit_EMG: False Scoring|DIAScoring|dia_extraction_window: 0.05 Scoring|DIAScoring|dia_extraction_unit: Th Scoring|DIAScoring|dia_centroided: False Scoring|DIAScoring|dia_byseries_intensity_min: 300.0 Scoring|DIAScoring|dia_byseries_ppm_diff: 10.0 Scoring|DIAScoring|dia_nr_isotopes: 4 Scoring|DIAScoring|dia_nr_charges: 4 Scoring|DIAScoring|peak_before_mono_max_ppm_diff: 20.0 Scoring|EMGScoring|max_iteration: 10 Scoring|EMGScoring|init_mom: False Scoring|Scores|use_shape_score: True Scoring|Scores|use_coelution_score: True Scoring|Scores|use_rt_score: True Scoring|Scores|use_library_score: True Scoring|Scores|use_intensity_score: True Scoring|Scores|use_nr_peaks_score: True Scoring|Scores|use_total_xic_score: True Scoring|Scores|use_total_mi_score: False Scoring|Scores|use_sn_score: True Scoring|Scores|use_mi_score: True Scoring|Scores|use_dia_scores: True Scoring|Scores|use_ms1_correlation: False Scoring|Scores|use_sonar_scores: False Scoring|Scores|use_ion_mobility_scores: False Scoring|Scores|use_ms1_fullscan: False Scoring|Scores|use_ms1_mi: True Scoring|Scores|use_uis_scores: False Scoring|Scores|use_ionseries_scores: True Scoring|Scores|use_ms2_isotope_scores: True adv_opts|rt_norm: OpenSwathWorkflow_1_input.trafoXML adv_opts|sort_swath_maps: False adv_opts|enable_ms1: True adv_opts|enable_ipf: True adv_opts|out_chrom_type: mzML adv_opts|min_upper_edge_dist: 0.0 adv_opts|extra_rt_extraction_window: 0.0 adv_opts|mz_extraction_window_unit: ppm adv_opts|mz_extraction_window_ms1_unit: ppm adv_opts|use_ms1_ion_mobility: True adv_opts|matching_window_only: False adv_opts|irt_mz_extraction_window: 50.0 adv_opts|irt_mz_extraction_window_unit: ppm adv_opts|irt_im_extraction_window: -1.0 adv_opts|min_rsq: 0.95 adv_opts|min_coverage: 0.6 adv_opts|split_file_input: False adv_opts|use_elution_model_score: False adv_opts|readOptions: cacheWorkingInMemory adv_opts|mz_correction_function: none adv_opts|extraction_function: tophat adv_opts|batchSize: 1000 adv_opts|ms1_isotopes: 3 adv_opts|force: False adv_opts|test: false OPTIONAL_OUTPUTS: ['ctd_out_FLAG', 'out_features_FLAG', 'out_chrom_FLAG'] |
name: value name: value name: value |
OpenSwathWorkflow_1_input.mzML OpenSwathWorkflow_1_input.TraML OpenSwathWorkflow_1_input.trafoXML value |
Test-7 |
in: OpenSwathWorkflow_1_input.mzML tr: OpenSwathWorkflow_1_input.TraML swath_windows_file: swath_windows.txt sonar: False rt_extraction_window: 600.0 ion_mobility_window: -1.0 mz_extraction_window: 50.0 mz_extraction_window_ms1: 50.0 im_extraction_window_ms1: -1.0 Calibration|ms1_im_calibration: False Calibration|im_correction_function: linear Calibration|debug_im_file: Calibration|debug_mz_file: Library|retentionTimeInterpretation: iRT Library|override_group_label_check: False Library|force_invalid_mods: False RTNormalization|alignmentMethod: linear RTNormalization|outlierMethod: iter_residual RTNormalization|useIterativeChauvenet: False RTNormalization|RANSACMaxIterations: 1000 RTNormalization|RANSACMaxPercentRTThreshold: 3 RTNormalization|RANSACSamplingSize: 10 RTNormalization|estimateBestPeptides: False RTNormalization|InitialQualityCutoff: 0.5 RTNormalization|OverallQualityCutoff: 5.5 RTNormalization|NrRTBins: 10 RTNormalization|MinPeptidesPerBin: 1 RTNormalization|MinBinsFilled: 8 RTNormalization|lowess|span: 0.05 RTNormalization|b_spline|num_nodes: 5 Scoring|stop_report_after_feature: 5 Scoring|rt_normalization_factor: 100.0 Scoring|quantification_cutoff: 0.0 Scoring|write_convex_hull: False Scoring|spectrum_addition_method: simple Scoring|add_up_spectra: 1 Scoring|spacing_for_spectra_resampling: 0.005 Scoring|uis_threshold_sn: -1 Scoring|uis_threshold_peak_area: 0 Scoring|scoring_model: default Scoring|im_extra_drift: 0.0 Scoring|strict: True Scoring|TransitionGroupPicker|stop_after_feature: -1 Scoring|TransitionGroupPicker|min_peak_width: -1.0 Scoring|TransitionGroupPicker|peak_integration: original Scoring|TransitionGroupPicker|background_subtraction: none Scoring|TransitionGroupPicker|recalculate_peaks: True Scoring|TransitionGroupPicker|use_precursors: False Scoring|TransitionGroupPicker|use_consensus: True Scoring|TransitionGroupPicker|recalculate_peaks_max_z: 0.75 Scoring|TransitionGroupPicker|minimal_quality: -1.5 Scoring|TransitionGroupPicker|resample_boundary: 15.0 Scoring|TransitionGroupPicker|compute_peak_quality: False Scoring|TransitionGroupPicker|compute_peak_shape_metrics: False Scoring|TransitionGroupPicker|compute_total_mi: False Scoring|TransitionGroupPicker|boundary_selection_method: largest Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_frame_length: 11 Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_polynomial_order: 3 Scoring|TransitionGroupPicker|PeakPickerMRM|gauss_width: 30.0 Scoring|TransitionGroupPicker|PeakPickerMRM|use_gauss: False Scoring|TransitionGroupPicker|PeakPickerMRM|peak_width: -1.0 Scoring|TransitionGroupPicker|PeakPickerMRM|signal_to_noise: 0.1 Scoring|TransitionGroupPicker|PeakPickerMRM|write_sn_log_messages: False Scoring|TransitionGroupPicker|PeakPickerMRM|remove_overlapping_peaks: True Scoring|TransitionGroupPicker|PeakPickerMRM|method: corrected Scoring|TransitionGroupPicker|PeakIntegrator|integration_type: intensity_sum Scoring|TransitionGroupPicker|PeakIntegrator|baseline_type: base_to_base Scoring|TransitionGroupPicker|PeakIntegrator|fit_EMG: False Scoring|DIAScoring|dia_extraction_window: 0.05 Scoring|DIAScoring|dia_extraction_unit: Th Scoring|DIAScoring|dia_centroided: False Scoring|DIAScoring|dia_byseries_intensity_min: 300.0 Scoring|DIAScoring|dia_byseries_ppm_diff: 10.0 Scoring|DIAScoring|dia_nr_isotopes: 4 Scoring|DIAScoring|dia_nr_charges: 4 Scoring|DIAScoring|peak_before_mono_max_ppm_diff: 20.0 Scoring|EMGScoring|max_iteration: 10 Scoring|EMGScoring|init_mom: False Scoring|Scores|use_shape_score: True Scoring|Scores|use_coelution_score: True Scoring|Scores|use_rt_score: True Scoring|Scores|use_library_score: True Scoring|Scores|use_intensity_score: True Scoring|Scores|use_nr_peaks_score: True Scoring|Scores|use_total_xic_score: True Scoring|Scores|use_total_mi_score: False Scoring|Scores|use_sn_score: True Scoring|Scores|use_mi_score: True Scoring|Scores|use_dia_scores: True Scoring|Scores|use_ms1_correlation: False Scoring|Scores|use_sonar_scores: False Scoring|Scores|use_ion_mobility_scores: False Scoring|Scores|use_ms1_fullscan: False Scoring|Scores|use_ms1_mi: True Scoring|Scores|use_uis_scores: False Scoring|Scores|use_ionseries_scores: True Scoring|Scores|use_ms2_isotope_scores: True adv_opts|rt_norm: OpenSwathWorkflow_1_input.trafoXML adv_opts|sort_swath_maps: False adv_opts|enable_ms1: True adv_opts|enable_ipf: True adv_opts|out_chrom_type: mzML adv_opts|min_upper_edge_dist: 0.0 adv_opts|extra_rt_extraction_window: 0.0 adv_opts|mz_extraction_window_unit: ppm adv_opts|mz_extraction_window_ms1_unit: ppm adv_opts|use_ms1_ion_mobility: True adv_opts|matching_window_only: False adv_opts|irt_mz_extraction_window: 50.0 adv_opts|irt_mz_extraction_window_unit: ppm adv_opts|irt_im_extraction_window: -1.0 adv_opts|min_rsq: 0.95 adv_opts|min_coverage: 0.6 adv_opts|split_file_input: False adv_opts|use_elution_model_score: False adv_opts|readOptions: normal adv_opts|mz_correction_function: none adv_opts|extraction_function: tophat adv_opts|batchSize: 1000 adv_opts|ms1_isotopes: 3 adv_opts|force: False adv_opts|test: false OPTIONAL_OUTPUTS: ['ctd_out_FLAG', 'out_features_FLAG', 'out_chrom_FLAG'] |
name: value name: value name: value |
OpenSwathWorkflow_1_input.mzML OpenSwathWorkflow_1_input.TraML swath_windows.txt OpenSwathWorkflow_1_input.trafoXML value |
Test-8 |
in: OpenSwathWorkflow_1_input.mzML tr: OpenSwathWorkflow_1_input.TraML swath_windows_file: swath_windows_overlap.txt sonar: False rt_extraction_window: 600.0 ion_mobility_window: -1.0 mz_extraction_window: 50.0 mz_extraction_window_ms1: 50.0 im_extraction_window_ms1: -1.0 Calibration|ms1_im_calibration: False Calibration|im_correction_function: linear Calibration|debug_im_file: Calibration|debug_mz_file: Library|retentionTimeInterpretation: iRT Library|override_group_label_check: False Library|force_invalid_mods: False RTNormalization|alignmentMethod: linear RTNormalization|outlierMethod: iter_residual RTNormalization|useIterativeChauvenet: False RTNormalization|RANSACMaxIterations: 1000 RTNormalization|RANSACMaxPercentRTThreshold: 3 RTNormalization|RANSACSamplingSize: 10 RTNormalization|estimateBestPeptides: False RTNormalization|InitialQualityCutoff: 0.5 RTNormalization|OverallQualityCutoff: 5.5 RTNormalization|NrRTBins: 10 RTNormalization|MinPeptidesPerBin: 1 RTNormalization|MinBinsFilled: 8 RTNormalization|lowess|span: 0.05 RTNormalization|b_spline|num_nodes: 5 Scoring|stop_report_after_feature: 5 Scoring|rt_normalization_factor: 100.0 Scoring|quantification_cutoff: 0.0 Scoring|write_convex_hull: False Scoring|spectrum_addition_method: simple Scoring|add_up_spectra: 1 Scoring|spacing_for_spectra_resampling: 0.005 Scoring|uis_threshold_sn: -1 Scoring|uis_threshold_peak_area: 0 Scoring|scoring_model: default Scoring|im_extra_drift: 0.0 Scoring|strict: True Scoring|TransitionGroupPicker|stop_after_feature: -1 Scoring|TransitionGroupPicker|min_peak_width: -1.0 Scoring|TransitionGroupPicker|peak_integration: original Scoring|TransitionGroupPicker|background_subtraction: none Scoring|TransitionGroupPicker|recalculate_peaks: True Scoring|TransitionGroupPicker|use_precursors: False Scoring|TransitionGroupPicker|use_consensus: True Scoring|TransitionGroupPicker|recalculate_peaks_max_z: 0.75 Scoring|TransitionGroupPicker|minimal_quality: -1.5 Scoring|TransitionGroupPicker|resample_boundary: 15.0 Scoring|TransitionGroupPicker|compute_peak_quality: False Scoring|TransitionGroupPicker|compute_peak_shape_metrics: False Scoring|TransitionGroupPicker|compute_total_mi: False Scoring|TransitionGroupPicker|boundary_selection_method: largest Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_frame_length: 11 Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_polynomial_order: 3 Scoring|TransitionGroupPicker|PeakPickerMRM|gauss_width: 30.0 Scoring|TransitionGroupPicker|PeakPickerMRM|use_gauss: False Scoring|TransitionGroupPicker|PeakPickerMRM|peak_width: -1.0 Scoring|TransitionGroupPicker|PeakPickerMRM|signal_to_noise: 0.1 Scoring|TransitionGroupPicker|PeakPickerMRM|write_sn_log_messages: False Scoring|TransitionGroupPicker|PeakPickerMRM|remove_overlapping_peaks: True Scoring|TransitionGroupPicker|PeakPickerMRM|method: corrected Scoring|TransitionGroupPicker|PeakIntegrator|integration_type: intensity_sum Scoring|TransitionGroupPicker|PeakIntegrator|baseline_type: base_to_base Scoring|TransitionGroupPicker|PeakIntegrator|fit_EMG: False Scoring|DIAScoring|dia_extraction_window: 0.05 Scoring|DIAScoring|dia_extraction_unit: Th Scoring|DIAScoring|dia_centroided: False Scoring|DIAScoring|dia_byseries_intensity_min: 300.0 Scoring|DIAScoring|dia_byseries_ppm_diff: 10.0 Scoring|DIAScoring|dia_nr_isotopes: 4 Scoring|DIAScoring|dia_nr_charges: 4 Scoring|DIAScoring|peak_before_mono_max_ppm_diff: 20.0 Scoring|EMGScoring|max_iteration: 10 Scoring|EMGScoring|init_mom: False Scoring|Scores|use_shape_score: True Scoring|Scores|use_coelution_score: True Scoring|Scores|use_rt_score: True Scoring|Scores|use_library_score: True Scoring|Scores|use_intensity_score: True Scoring|Scores|use_nr_peaks_score: True Scoring|Scores|use_total_xic_score: True Scoring|Scores|use_total_mi_score: False Scoring|Scores|use_sn_score: True Scoring|Scores|use_mi_score: True Scoring|Scores|use_dia_scores: True Scoring|Scores|use_ms1_correlation: False Scoring|Scores|use_sonar_scores: False Scoring|Scores|use_ion_mobility_scores: False Scoring|Scores|use_ms1_fullscan: False Scoring|Scores|use_ms1_mi: True Scoring|Scores|use_uis_scores: False Scoring|Scores|use_ionseries_scores: True Scoring|Scores|use_ms2_isotope_scores: True adv_opts|rt_norm: OpenSwathWorkflow_1_input.trafoXML adv_opts|sort_swath_maps: False adv_opts|enable_ms1: True adv_opts|enable_ipf: True adv_opts|out_chrom_type: mzML adv_opts|min_upper_edge_dist: 0.0 adv_opts|extra_rt_extraction_window: 0.0 adv_opts|mz_extraction_window_unit: ppm adv_opts|mz_extraction_window_ms1_unit: ppm adv_opts|use_ms1_ion_mobility: True adv_opts|matching_window_only: False adv_opts|irt_mz_extraction_window: 50.0 adv_opts|irt_mz_extraction_window_unit: ppm adv_opts|irt_im_extraction_window: -1.0 adv_opts|min_rsq: 0.95 adv_opts|min_coverage: 0.6 adv_opts|split_file_input: False adv_opts|use_elution_model_score: False adv_opts|readOptions: normal adv_opts|mz_correction_function: none adv_opts|extraction_function: tophat adv_opts|batchSize: 1000 adv_opts|ms1_isotopes: 3 adv_opts|force: True adv_opts|test: false OPTIONAL_OUTPUTS: ['ctd_out_FLAG', 'out_features_FLAG', 'out_chrom_FLAG'] |
name: value name: value name: value |
OpenSwathWorkflow_1_input.mzML OpenSwathWorkflow_1_input.TraML swath_windows_overlap.txt OpenSwathWorkflow_1_input.trafoXML value |
Test-9 |
in: OpenSwathWorkflow_11_input.mzML tr: OpenSwathWorkflow_11_input_2.TraML tr_irt: OpenSwathWorkflow_11_input.TraML sonar: True rt_extraction_window: -1.0 ion_mobility_window: -1.0 mz_extraction_window: 0.2 mz_extraction_window_ms1: 50.0 im_extraction_window_ms1: -1.0 Calibration|ms1_im_calibration: False Calibration|im_correction_function: linear Calibration|debug_im_file: Calibration|debug_mz_file: Library|retentionTimeInterpretation: iRT Library|override_group_label_check: False Library|force_invalid_mods: False RTNormalization|alignmentMethod: linear RTNormalization|outlierMethod: none RTNormalization|useIterativeChauvenet: False RTNormalization|RANSACMaxIterations: 1000 RTNormalization|RANSACMaxPercentRTThreshold: 3 RTNormalization|RANSACSamplingSize: 10 RTNormalization|estimateBestPeptides: False RTNormalization|InitialQualityCutoff: 0.5 RTNormalization|OverallQualityCutoff: 5.5 RTNormalization|NrRTBins: 10 RTNormalization|MinPeptidesPerBin: 1 RTNormalization|MinBinsFilled: 8 RTNormalization|lowess|span: 0.05 RTNormalization|b_spline|num_nodes: 5 Scoring|stop_report_after_feature: 5 Scoring|rt_normalization_factor: 100.0 Scoring|quantification_cutoff: 0.0 Scoring|write_convex_hull: False Scoring|spectrum_addition_method: simple Scoring|add_up_spectra: 1 Scoring|spacing_for_spectra_resampling: 0.005 Scoring|uis_threshold_sn: -1 Scoring|uis_threshold_peak_area: 0 Scoring|scoring_model: default Scoring|im_extra_drift: 0.0 Scoring|strict: True Scoring|TransitionGroupPicker|stop_after_feature: -1 Scoring|TransitionGroupPicker|min_peak_width: -1.0 Scoring|TransitionGroupPicker|peak_integration: original Scoring|TransitionGroupPicker|background_subtraction: none Scoring|TransitionGroupPicker|recalculate_peaks: True Scoring|TransitionGroupPicker|use_precursors: False Scoring|TransitionGroupPicker|use_consensus: True Scoring|TransitionGroupPicker|recalculate_peaks_max_z: 0.75 Scoring|TransitionGroupPicker|minimal_quality: -1.5 Scoring|TransitionGroupPicker|resample_boundary: 15.0 Scoring|TransitionGroupPicker|compute_peak_quality: False Scoring|TransitionGroupPicker|compute_peak_shape_metrics: False Scoring|TransitionGroupPicker|compute_total_mi: False Scoring|TransitionGroupPicker|boundary_selection_method: largest Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_frame_length: 11 Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_polynomial_order: 3 Scoring|TransitionGroupPicker|PeakPickerMRM|gauss_width: 30.0 Scoring|TransitionGroupPicker|PeakPickerMRM|use_gauss: False Scoring|TransitionGroupPicker|PeakPickerMRM|peak_width: -1.0 Scoring|TransitionGroupPicker|PeakPickerMRM|signal_to_noise: 0.1 Scoring|TransitionGroupPicker|PeakPickerMRM|write_sn_log_messages: False Scoring|TransitionGroupPicker|PeakPickerMRM|remove_overlapping_peaks: True Scoring|TransitionGroupPicker|PeakPickerMRM|method: corrected Scoring|TransitionGroupPicker|PeakIntegrator|integration_type: intensity_sum Scoring|TransitionGroupPicker|PeakIntegrator|baseline_type: base_to_base Scoring|TransitionGroupPicker|PeakIntegrator|fit_EMG: False Scoring|DIAScoring|dia_extraction_window: 0.05 Scoring|DIAScoring|dia_extraction_unit: Th Scoring|DIAScoring|dia_centroided: False Scoring|DIAScoring|dia_byseries_intensity_min: 300.0 Scoring|DIAScoring|dia_byseries_ppm_diff: 10.0 Scoring|DIAScoring|dia_nr_isotopes: 4 Scoring|DIAScoring|dia_nr_charges: 4 Scoring|DIAScoring|peak_before_mono_max_ppm_diff: 20.0 Scoring|EMGScoring|max_iteration: 10 Scoring|EMGScoring|init_mom: False Scoring|Scores|use_shape_score: True Scoring|Scores|use_coelution_score: True Scoring|Scores|use_rt_score: True Scoring|Scores|use_library_score: True Scoring|Scores|use_intensity_score: True Scoring|Scores|use_nr_peaks_score: True Scoring|Scores|use_total_xic_score: True Scoring|Scores|use_total_mi_score: False Scoring|Scores|use_sn_score: True Scoring|Scores|use_mi_score: True Scoring|Scores|use_dia_scores: True Scoring|Scores|use_ms1_correlation: False Scoring|Scores|use_sonar_scores: True Scoring|Scores|use_ion_mobility_scores: False Scoring|Scores|use_ms1_fullscan: False Scoring|Scores|use_ms1_mi: True Scoring|Scores|use_uis_scores: False Scoring|Scores|use_ionseries_scores: True Scoring|Scores|use_ms2_isotope_scores: True adv_opts|sort_swath_maps: False adv_opts|enable_ms1: False adv_opts|enable_ipf: True adv_opts|out_chrom_type: mzML adv_opts|min_upper_edge_dist: 0.0 adv_opts|extra_rt_extraction_window: 0.0 adv_opts|mz_extraction_window_unit: ppm adv_opts|mz_extraction_window_ms1_unit: ppm adv_opts|use_ms1_ion_mobility: True adv_opts|matching_window_only: False adv_opts|irt_mz_extraction_window: 550.0 adv_opts|irt_mz_extraction_window_unit: ppm adv_opts|irt_im_extraction_window: -1.0 adv_opts|min_rsq: 0.95 adv_opts|min_coverage: 0.6 adv_opts|split_file_input: False adv_opts|use_elution_model_score: False adv_opts|readOptions: normal adv_opts|mz_correction_function: quadratic_regression_delta_ppm adv_opts|extraction_function: tophat adv_opts|batchSize: 1000 adv_opts|ms1_isotopes: 3 adv_opts|force: False adv_opts|test: false OPTIONAL_OUTPUTS: ['ctd_out_FLAG', 'out_features_FLAG', 'out_chrom_FLAG'] |
name: value name: value name: value |
OpenSwathWorkflow_11_input.mzML OpenSwathWorkflow_11_input_2.TraML OpenSwathWorkflow_11_input.TraML value |
Test-10 |
in: OpenSwathWorkflow_1_input.mzML tr: OpenSwathWorkflow_13_input.pqp.tmp sonar: False rt_extraction_window: 600.0 ion_mobility_window: -1.0 mz_extraction_window: 50.0 mz_extraction_window_ms1: 50.0 im_extraction_window_ms1: -1.0 Calibration|ms1_im_calibration: False Calibration|im_correction_function: linear Calibration|debug_im_file: Calibration|debug_mz_file: Library|retentionTimeInterpretation: iRT Library|override_group_label_check: False Library|force_invalid_mods: False RTNormalization|alignmentMethod: linear RTNormalization|outlierMethod: iter_residual RTNormalization|useIterativeChauvenet: False RTNormalization|RANSACMaxIterations: 1000 RTNormalization|RANSACMaxPercentRTThreshold: 3 RTNormalization|RANSACSamplingSize: 10 RTNormalization|estimateBestPeptides: False RTNormalization|InitialQualityCutoff: 0.5 RTNormalization|OverallQualityCutoff: 5.5 RTNormalization|NrRTBins: 10 RTNormalization|MinPeptidesPerBin: 1 RTNormalization|MinBinsFilled: 8 RTNormalization|lowess|span: 0.05 RTNormalization|b_spline|num_nodes: 5 Scoring|stop_report_after_feature: 5 Scoring|rt_normalization_factor: 100.0 Scoring|quantification_cutoff: 0.0 Scoring|write_convex_hull: False Scoring|spectrum_addition_method: simple Scoring|add_up_spectra: 1 Scoring|spacing_for_spectra_resampling: 0.005 Scoring|uis_threshold_sn: -1 Scoring|uis_threshold_peak_area: 0 Scoring|scoring_model: default Scoring|im_extra_drift: 0.0 Scoring|strict: True Scoring|TransitionGroupPicker|stop_after_feature: -1 Scoring|TransitionGroupPicker|min_peak_width: -1.0 Scoring|TransitionGroupPicker|peak_integration: original Scoring|TransitionGroupPicker|background_subtraction: none Scoring|TransitionGroupPicker|recalculate_peaks: True Scoring|TransitionGroupPicker|use_precursors: False Scoring|TransitionGroupPicker|use_consensus: True Scoring|TransitionGroupPicker|recalculate_peaks_max_z: 0.75 Scoring|TransitionGroupPicker|minimal_quality: -1.5 Scoring|TransitionGroupPicker|resample_boundary: 15.0 Scoring|TransitionGroupPicker|compute_peak_quality: False Scoring|TransitionGroupPicker|compute_peak_shape_metrics: False Scoring|TransitionGroupPicker|compute_total_mi: False Scoring|TransitionGroupPicker|boundary_selection_method: largest Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_frame_length: 11 Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_polynomial_order: 3 Scoring|TransitionGroupPicker|PeakPickerMRM|gauss_width: 30.0 Scoring|TransitionGroupPicker|PeakPickerMRM|use_gauss: False Scoring|TransitionGroupPicker|PeakPickerMRM|peak_width: -1.0 Scoring|TransitionGroupPicker|PeakPickerMRM|signal_to_noise: 0.1 Scoring|TransitionGroupPicker|PeakPickerMRM|write_sn_log_messages: False Scoring|TransitionGroupPicker|PeakPickerMRM|remove_overlapping_peaks: True Scoring|TransitionGroupPicker|PeakPickerMRM|method: corrected Scoring|TransitionGroupPicker|PeakIntegrator|integration_type: intensity_sum Scoring|TransitionGroupPicker|PeakIntegrator|baseline_type: base_to_base Scoring|TransitionGroupPicker|PeakIntegrator|fit_EMG: False Scoring|DIAScoring|dia_extraction_window: 0.05 Scoring|DIAScoring|dia_extraction_unit: Th Scoring|DIAScoring|dia_centroided: False Scoring|DIAScoring|dia_byseries_intensity_min: 300.0 Scoring|DIAScoring|dia_byseries_ppm_diff: 10.0 Scoring|DIAScoring|dia_nr_isotopes: 4 Scoring|DIAScoring|dia_nr_charges: 4 Scoring|DIAScoring|peak_before_mono_max_ppm_diff: 20.0 Scoring|EMGScoring|max_iteration: 10 Scoring|EMGScoring|init_mom: False Scoring|Scores|use_shape_score: True Scoring|Scores|use_coelution_score: True Scoring|Scores|use_rt_score: True Scoring|Scores|use_library_score: True Scoring|Scores|use_intensity_score: True Scoring|Scores|use_nr_peaks_score: True Scoring|Scores|use_total_xic_score: True Scoring|Scores|use_total_mi_score: False Scoring|Scores|use_sn_score: True Scoring|Scores|use_mi_score: True Scoring|Scores|use_dia_scores: True Scoring|Scores|use_ms1_correlation: False Scoring|Scores|use_sonar_scores: False Scoring|Scores|use_ion_mobility_scores: False Scoring|Scores|use_ms1_fullscan: False Scoring|Scores|use_ms1_mi: True Scoring|Scores|use_uis_scores: False Scoring|Scores|use_ionseries_scores: True Scoring|Scores|use_ms2_isotope_scores: True adv_opts|rt_norm: OpenSwathWorkflow_1_input.trafoXML adv_opts|sort_swath_maps: False adv_opts|enable_ms1: True adv_opts|enable_ipf: True adv_opts|out_chrom_type: mzML adv_opts|min_upper_edge_dist: 0.0 adv_opts|extra_rt_extraction_window: 0.0 adv_opts|mz_extraction_window_unit: ppm adv_opts|mz_extraction_window_ms1_unit: ppm adv_opts|use_ms1_ion_mobility: True adv_opts|matching_window_only: False adv_opts|irt_mz_extraction_window: 50.0 adv_opts|irt_mz_extraction_window_unit: ppm adv_opts|irt_im_extraction_window: -1.0 adv_opts|min_rsq: 0.95 adv_opts|min_coverage: 0.6 adv_opts|split_file_input: False adv_opts|use_elution_model_score: False adv_opts|readOptions: normal adv_opts|mz_correction_function: none adv_opts|extraction_function: tophat adv_opts|batchSize: 1000 adv_opts|ms1_isotopes: 3 adv_opts|force: False adv_opts|test: false OPTIONAL_OUTPUTS: ['ctd_out_FLAG', 'out_osw_FLAG', 'out_chrom_FLAG'] |
name: value name: value name: value |
OpenSwathWorkflow_1_input.mzML OpenSwathWorkflow_13_input.pqp.tmp OpenSwathWorkflow_1_input.trafoXML value |
Test-11 |
in: OpenSwathWorkflow_1_input.mzML tr: OpenSwathWorkflow_14_input.pqp.tmp sonar: False rt_extraction_window: 600.0 ion_mobility_window: -1.0 mz_extraction_window: 50.0 mz_extraction_window_ms1: 50.0 im_extraction_window_ms1: -1.0 Calibration|ms1_im_calibration: False Calibration|im_correction_function: linear Calibration|debug_im_file: Calibration|debug_mz_file: Library|retentionTimeInterpretation: iRT Library|override_group_label_check: False Library|force_invalid_mods: False RTNormalization|alignmentMethod: linear RTNormalization|outlierMethod: iter_residual RTNormalization|useIterativeChauvenet: False RTNormalization|RANSACMaxIterations: 1000 RTNormalization|RANSACMaxPercentRTThreshold: 3 RTNormalization|RANSACSamplingSize: 10 RTNormalization|estimateBestPeptides: False RTNormalization|InitialQualityCutoff: 0.5 RTNormalization|OverallQualityCutoff: 5.5 RTNormalization|NrRTBins: 10 RTNormalization|MinPeptidesPerBin: 1 RTNormalization|MinBinsFilled: 8 RTNormalization|lowess|span: 0.05 RTNormalization|b_spline|num_nodes: 5 Scoring|stop_report_after_feature: 5 Scoring|rt_normalization_factor: 100.0 Scoring|quantification_cutoff: 0.0 Scoring|write_convex_hull: False Scoring|spectrum_addition_method: simple Scoring|add_up_spectra: 1 Scoring|spacing_for_spectra_resampling: 0.005 Scoring|uis_threshold_sn: -1 Scoring|uis_threshold_peak_area: 0 Scoring|scoring_model: default Scoring|im_extra_drift: 0.0 Scoring|strict: True Scoring|TransitionGroupPicker|stop_after_feature: -1 Scoring|TransitionGroupPicker|min_peak_width: -1.0 Scoring|TransitionGroupPicker|peak_integration: original Scoring|TransitionGroupPicker|background_subtraction: none Scoring|TransitionGroupPicker|recalculate_peaks: True Scoring|TransitionGroupPicker|use_precursors: False Scoring|TransitionGroupPicker|use_consensus: True Scoring|TransitionGroupPicker|recalculate_peaks_max_z: 0.75 Scoring|TransitionGroupPicker|minimal_quality: -1.5 Scoring|TransitionGroupPicker|resample_boundary: 15.0 Scoring|TransitionGroupPicker|compute_peak_quality: False Scoring|TransitionGroupPicker|compute_peak_shape_metrics: False Scoring|TransitionGroupPicker|compute_total_mi: False Scoring|TransitionGroupPicker|boundary_selection_method: largest Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_frame_length: 11 Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_polynomial_order: 3 Scoring|TransitionGroupPicker|PeakPickerMRM|gauss_width: 30.0 Scoring|TransitionGroupPicker|PeakPickerMRM|use_gauss: False Scoring|TransitionGroupPicker|PeakPickerMRM|peak_width: -1.0 Scoring|TransitionGroupPicker|PeakPickerMRM|signal_to_noise: 0.1 Scoring|TransitionGroupPicker|PeakPickerMRM|write_sn_log_messages: False Scoring|TransitionGroupPicker|PeakPickerMRM|remove_overlapping_peaks: True Scoring|TransitionGroupPicker|PeakPickerMRM|method: corrected Scoring|TransitionGroupPicker|PeakIntegrator|integration_type: intensity_sum Scoring|TransitionGroupPicker|PeakIntegrator|baseline_type: base_to_base Scoring|TransitionGroupPicker|PeakIntegrator|fit_EMG: False Scoring|DIAScoring|dia_extraction_window: 0.05 Scoring|DIAScoring|dia_extraction_unit: Th Scoring|DIAScoring|dia_centroided: False Scoring|DIAScoring|dia_byseries_intensity_min: 300.0 Scoring|DIAScoring|dia_byseries_ppm_diff: 10.0 Scoring|DIAScoring|dia_nr_isotopes: 4 Scoring|DIAScoring|dia_nr_charges: 4 Scoring|DIAScoring|peak_before_mono_max_ppm_diff: 20.0 Scoring|EMGScoring|max_iteration: 10 Scoring|EMGScoring|init_mom: False Scoring|Scores|use_shape_score: True Scoring|Scores|use_coelution_score: True Scoring|Scores|use_rt_score: True Scoring|Scores|use_library_score: True Scoring|Scores|use_intensity_score: True Scoring|Scores|use_nr_peaks_score: True Scoring|Scores|use_total_xic_score: True Scoring|Scores|use_total_mi_score: False Scoring|Scores|use_sn_score: True Scoring|Scores|use_mi_score: True Scoring|Scores|use_dia_scores: True Scoring|Scores|use_ms1_correlation: False Scoring|Scores|use_sonar_scores: False Scoring|Scores|use_ion_mobility_scores: False Scoring|Scores|use_ms1_fullscan: False Scoring|Scores|use_ms1_mi: True Scoring|Scores|use_uis_scores: False Scoring|Scores|use_ionseries_scores: True Scoring|Scores|use_ms2_isotope_scores: True adv_opts|rt_norm: OpenSwathWorkflow_1_input.trafoXML adv_opts|sort_swath_maps: False adv_opts|enable_ms1: True adv_opts|enable_ipf: True adv_opts|out_chrom_type: sqMass adv_opts|min_upper_edge_dist: 0.0 adv_opts|extra_rt_extraction_window: 0.0 adv_opts|mz_extraction_window_unit: ppm adv_opts|mz_extraction_window_ms1_unit: ppm adv_opts|use_ms1_ion_mobility: True adv_opts|matching_window_only: False adv_opts|irt_mz_extraction_window: 50.0 adv_opts|irt_mz_extraction_window_unit: ppm adv_opts|irt_im_extraction_window: -1.0 adv_opts|min_rsq: 0.95 adv_opts|min_coverage: 0.6 adv_opts|split_file_input: False adv_opts|use_elution_model_score: False adv_opts|readOptions: normal adv_opts|mz_correction_function: none adv_opts|extraction_function: tophat adv_opts|batchSize: 1000 adv_opts|ms1_isotopes: 3 adv_opts|force: False adv_opts|test: false OPTIONAL_OUTPUTS: ['ctd_out_FLAG', 'out_osw_FLAG', 'out_chrom_FLAG'] |
name: value name: value name: value |
OpenSwathWorkflow_1_input.mzML OpenSwathWorkflow_14_input.pqp.tmp OpenSwathWorkflow_1_input.trafoXML value |
Test-12 |
in: OpenSwathWorkflow_15_input.mzML tr: OpenSwathWorkflow_1_input.TraML sonar: False rt_extraction_window: 600.0 ion_mobility_window: -1.0 mz_extraction_window: 0.05 mz_extraction_window_ms1: 50.0 im_extraction_window_ms1: -1.0 Calibration|ms1_im_calibration: False Calibration|im_correction_function: linear Calibration|debug_im_file: Calibration|debug_mz_file: Library|retentionTimeInterpretation: iRT Library|override_group_label_check: False Library|force_invalid_mods: False RTNormalization|alignmentMethod: linear RTNormalization|outlierMethod: iter_residual RTNormalization|useIterativeChauvenet: False RTNormalization|RANSACMaxIterations: 1000 RTNormalization|RANSACMaxPercentRTThreshold: 3 RTNormalization|RANSACSamplingSize: 10 RTNormalization|estimateBestPeptides: False RTNormalization|InitialQualityCutoff: 0.5 RTNormalization|OverallQualityCutoff: 5.5 RTNormalization|NrRTBins: 10 RTNormalization|MinPeptidesPerBin: 1 RTNormalization|MinBinsFilled: 8 RTNormalization|lowess|span: 0.05 RTNormalization|b_spline|num_nodes: 5 Scoring|stop_report_after_feature: 5 Scoring|rt_normalization_factor: 100.0 Scoring|quantification_cutoff: 0.0 Scoring|write_convex_hull: False Scoring|spectrum_addition_method: simple Scoring|add_up_spectra: 1 Scoring|spacing_for_spectra_resampling: 0.005 Scoring|uis_threshold_sn: -1 Scoring|uis_threshold_peak_area: 0 Scoring|scoring_model: default Scoring|im_extra_drift: 0.0 Scoring|strict: True Scoring|TransitionGroupPicker|stop_after_feature: -1 Scoring|TransitionGroupPicker|min_peak_width: -1.0 Scoring|TransitionGroupPicker|peak_integration: original Scoring|TransitionGroupPicker|background_subtraction: none Scoring|TransitionGroupPicker|recalculate_peaks: True Scoring|TransitionGroupPicker|use_precursors: True Scoring|TransitionGroupPicker|use_consensus: True Scoring|TransitionGroupPicker|recalculate_peaks_max_z: 0.75 Scoring|TransitionGroupPicker|minimal_quality: -1.5 Scoring|TransitionGroupPicker|resample_boundary: 15.0 Scoring|TransitionGroupPicker|compute_peak_quality: False Scoring|TransitionGroupPicker|compute_peak_shape_metrics: False Scoring|TransitionGroupPicker|compute_total_mi: False Scoring|TransitionGroupPicker|boundary_selection_method: largest Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_frame_length: 11 Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_polynomial_order: 3 Scoring|TransitionGroupPicker|PeakPickerMRM|gauss_width: 30.0 Scoring|TransitionGroupPicker|PeakPickerMRM|use_gauss: False Scoring|TransitionGroupPicker|PeakPickerMRM|peak_width: -1.0 Scoring|TransitionGroupPicker|PeakPickerMRM|signal_to_noise: 0.1 Scoring|TransitionGroupPicker|PeakPickerMRM|write_sn_log_messages: False Scoring|TransitionGroupPicker|PeakPickerMRM|remove_overlapping_peaks: True Scoring|TransitionGroupPicker|PeakPickerMRM|method: corrected Scoring|TransitionGroupPicker|PeakIntegrator|integration_type: intensity_sum Scoring|TransitionGroupPicker|PeakIntegrator|baseline_type: base_to_base Scoring|TransitionGroupPicker|PeakIntegrator|fit_EMG: False Scoring|DIAScoring|dia_extraction_window: 0.05 Scoring|DIAScoring|dia_extraction_unit: Th Scoring|DIAScoring|dia_centroided: False Scoring|DIAScoring|dia_byseries_intensity_min: 300.0 Scoring|DIAScoring|dia_byseries_ppm_diff: 10.0 Scoring|DIAScoring|dia_nr_isotopes: 4 Scoring|DIAScoring|dia_nr_charges: 4 Scoring|DIAScoring|peak_before_mono_max_ppm_diff: 20.0 Scoring|EMGScoring|max_iteration: 10 Scoring|EMGScoring|init_mom: False Scoring|Scores|use_shape_score: True Scoring|Scores|use_coelution_score: True Scoring|Scores|use_rt_score: True Scoring|Scores|use_library_score: True Scoring|Scores|use_intensity_score: True Scoring|Scores|use_nr_peaks_score: True Scoring|Scores|use_total_xic_score: True Scoring|Scores|use_total_mi_score: False Scoring|Scores|use_sn_score: True Scoring|Scores|use_mi_score: False Scoring|Scores|use_dia_scores: True Scoring|Scores|use_ms1_correlation: False Scoring|Scores|use_sonar_scores: False Scoring|Scores|use_ion_mobility_scores: False Scoring|Scores|use_ms1_fullscan: False Scoring|Scores|use_ms1_mi: False Scoring|Scores|use_uis_scores: False Scoring|Scores|use_ionseries_scores: True Scoring|Scores|use_ms2_isotope_scores: True adv_opts|rt_norm: OpenSwathWorkflow_1_input.trafoXML adv_opts|sort_swath_maps: False adv_opts|enable_ms1: True adv_opts|enable_ipf: True adv_opts|out_chrom_type: mzML adv_opts|min_upper_edge_dist: 0.0 adv_opts|extra_rt_extraction_window: 0.0 adv_opts|mz_extraction_window_unit: Th adv_opts|mz_extraction_window_ms1_unit: ppm adv_opts|use_ms1_ion_mobility: True adv_opts|matching_window_only: False adv_opts|irt_mz_extraction_window: 50.0 adv_opts|irt_mz_extraction_window_unit: ppm adv_opts|irt_im_extraction_window: -1.0 adv_opts|min_rsq: 0.95 adv_opts|min_coverage: 0.6 adv_opts|split_file_input: False adv_opts|use_elution_model_score: False adv_opts|readOptions: normal adv_opts|mz_correction_function: none adv_opts|extraction_function: tophat adv_opts|batchSize: 1000 adv_opts|ms1_isotopes: 2 adv_opts|force: False adv_opts|test: true OPTIONAL_OUTPUTS: ['ctd_out_FLAG', 'out_features_FLAG', 'out_chrom_FLAG'] |
name: value name: value name: value |
OpenSwathWorkflow_15_input.mzML OpenSwathWorkflow_1_input.TraML OpenSwathWorkflow_1_input.trafoXML value |
Test-13 |
in: OpenSwathWorkflow_16_input.sqMass tr: OpenSwathWorkflow_1_input.TraML sonar: False rt_extraction_window: 600.0 ion_mobility_window: -1.0 mz_extraction_window: 50.0 mz_extraction_window_ms1: 50.0 im_extraction_window_ms1: -1.0 Calibration|ms1_im_calibration: False Calibration|im_correction_function: linear Calibration|debug_im_file: Calibration|debug_mz_file: Library|retentionTimeInterpretation: iRT Library|override_group_label_check: False Library|force_invalid_mods: False RTNormalization|alignmentMethod: linear RTNormalization|outlierMethod: iter_residual RTNormalization|useIterativeChauvenet: False RTNormalization|RANSACMaxIterations: 1000 RTNormalization|RANSACMaxPercentRTThreshold: 3 RTNormalization|RANSACSamplingSize: 10 RTNormalization|estimateBestPeptides: False RTNormalization|InitialQualityCutoff: 0.5 RTNormalization|OverallQualityCutoff: 5.5 RTNormalization|NrRTBins: 10 RTNormalization|MinPeptidesPerBin: 1 RTNormalization|MinBinsFilled: 8 RTNormalization|lowess|span: 0.05 RTNormalization|b_spline|num_nodes: 5 Scoring|stop_report_after_feature: 5 Scoring|rt_normalization_factor: 100.0 Scoring|quantification_cutoff: 0.0 Scoring|write_convex_hull: False Scoring|spectrum_addition_method: simple Scoring|add_up_spectra: 1 Scoring|spacing_for_spectra_resampling: 0.005 Scoring|uis_threshold_sn: -1 Scoring|uis_threshold_peak_area: 0 Scoring|scoring_model: default Scoring|im_extra_drift: 0.0 Scoring|strict: True Scoring|TransitionGroupPicker|stop_after_feature: -1 Scoring|TransitionGroupPicker|min_peak_width: -1.0 Scoring|TransitionGroupPicker|peak_integration: original Scoring|TransitionGroupPicker|background_subtraction: none Scoring|TransitionGroupPicker|recalculate_peaks: True Scoring|TransitionGroupPicker|use_precursors: False Scoring|TransitionGroupPicker|use_consensus: True Scoring|TransitionGroupPicker|recalculate_peaks_max_z: 0.75 Scoring|TransitionGroupPicker|minimal_quality: -1.5 Scoring|TransitionGroupPicker|resample_boundary: 15.0 Scoring|TransitionGroupPicker|compute_peak_quality: False Scoring|TransitionGroupPicker|compute_peak_shape_metrics: False Scoring|TransitionGroupPicker|compute_total_mi: False Scoring|TransitionGroupPicker|boundary_selection_method: largest Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_frame_length: 11 Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_polynomial_order: 3 Scoring|TransitionGroupPicker|PeakPickerMRM|gauss_width: 30.0 Scoring|TransitionGroupPicker|PeakPickerMRM|use_gauss: False Scoring|TransitionGroupPicker|PeakPickerMRM|peak_width: -1.0 Scoring|TransitionGroupPicker|PeakPickerMRM|signal_to_noise: 0.1 Scoring|TransitionGroupPicker|PeakPickerMRM|write_sn_log_messages: False Scoring|TransitionGroupPicker|PeakPickerMRM|remove_overlapping_peaks: True Scoring|TransitionGroupPicker|PeakPickerMRM|method: corrected Scoring|TransitionGroupPicker|PeakIntegrator|integration_type: intensity_sum Scoring|TransitionGroupPicker|PeakIntegrator|baseline_type: base_to_base Scoring|TransitionGroupPicker|PeakIntegrator|fit_EMG: False Scoring|DIAScoring|dia_extraction_window: 0.05 Scoring|DIAScoring|dia_extraction_unit: Th Scoring|DIAScoring|dia_centroided: False Scoring|DIAScoring|dia_byseries_intensity_min: 300.0 Scoring|DIAScoring|dia_byseries_ppm_diff: 10.0 Scoring|DIAScoring|dia_nr_isotopes: 4 Scoring|DIAScoring|dia_nr_charges: 4 Scoring|DIAScoring|peak_before_mono_max_ppm_diff: 20.0 Scoring|EMGScoring|max_iteration: 10 Scoring|EMGScoring|init_mom: False Scoring|Scores|use_shape_score: True Scoring|Scores|use_coelution_score: True Scoring|Scores|use_rt_score: True Scoring|Scores|use_library_score: True Scoring|Scores|use_intensity_score: True Scoring|Scores|use_nr_peaks_score: True Scoring|Scores|use_total_xic_score: True Scoring|Scores|use_total_mi_score: False Scoring|Scores|use_sn_score: True Scoring|Scores|use_mi_score: True Scoring|Scores|use_dia_scores: True Scoring|Scores|use_ms1_correlation: False Scoring|Scores|use_sonar_scores: False Scoring|Scores|use_ion_mobility_scores: False Scoring|Scores|use_ms1_fullscan: False Scoring|Scores|use_ms1_mi: True Scoring|Scores|use_uis_scores: False Scoring|Scores|use_ionseries_scores: True Scoring|Scores|use_ms2_isotope_scores: True adv_opts|rt_norm: OpenSwathWorkflow_1_input.trafoXML adv_opts|sort_swath_maps: False adv_opts|enable_ms1: True adv_opts|enable_ipf: True adv_opts|out_chrom_type: mzML adv_opts|min_upper_edge_dist: 0.0 adv_opts|extra_rt_extraction_window: 0.0 adv_opts|mz_extraction_window_unit: ppm adv_opts|mz_extraction_window_ms1_unit: ppm adv_opts|use_ms1_ion_mobility: True adv_opts|matching_window_only: False adv_opts|irt_mz_extraction_window: 50.0 adv_opts|irt_mz_extraction_window_unit: ppm adv_opts|irt_im_extraction_window: -1.0 adv_opts|min_rsq: 0.95 adv_opts|min_coverage: 0.6 adv_opts|split_file_input: False adv_opts|use_elution_model_score: False adv_opts|readOptions: workingInMemory adv_opts|mz_correction_function: none adv_opts|extraction_function: tophat adv_opts|batchSize: 1000 adv_opts|ms1_isotopes: 2 adv_opts|force: False adv_opts|test: false OPTIONAL_OUTPUTS: ['ctd_out_FLAG', 'out_features_FLAG', 'out_chrom_FLAG'] |
name: value name: value name: value |
OpenSwathWorkflow_16_input.sqMass OpenSwathWorkflow_1_input.TraML OpenSwathWorkflow_1_input.trafoXML value |
Test-14 |
in: OpenSwathWorkflow_17_input.mzML tr: OpenSwathWorkflow_17_input.tsv sonar: False rt_extraction_window: 600.0 ion_mobility_window: 0.05 mz_extraction_window: 50.0 mz_extraction_window_ms1: 50.0 im_extraction_window_ms1: -1.0 Calibration|ms1_im_calibration: False Calibration|im_correction_function: linear Calibration|debug_im_file: Calibration|debug_mz_file: Library|retentionTimeInterpretation: iRT Library|override_group_label_check: False Library|force_invalid_mods: False RTNormalization|alignmentMethod: linear RTNormalization|outlierMethod: iter_residual RTNormalization|useIterativeChauvenet: False RTNormalization|RANSACMaxIterations: 1000 RTNormalization|RANSACMaxPercentRTThreshold: 3 RTNormalization|RANSACSamplingSize: 10 RTNormalization|estimateBestPeptides: False RTNormalization|InitialQualityCutoff: 0.5 RTNormalization|OverallQualityCutoff: 5.5 RTNormalization|NrRTBins: 10 RTNormalization|MinPeptidesPerBin: 1 RTNormalization|MinBinsFilled: 8 RTNormalization|lowess|span: 0.05 RTNormalization|b_spline|num_nodes: 5 Scoring|stop_report_after_feature: 5 Scoring|rt_normalization_factor: 100.0 Scoring|quantification_cutoff: 0.0 Scoring|write_convex_hull: False Scoring|spectrum_addition_method: simple Scoring|add_up_spectra: 1 Scoring|spacing_for_spectra_resampling: 0.005 Scoring|uis_threshold_sn: -1 Scoring|uis_threshold_peak_area: 0 Scoring|scoring_model: default Scoring|im_extra_drift: 0.0 Scoring|strict: True Scoring|TransitionGroupPicker|stop_after_feature: -1 Scoring|TransitionGroupPicker|min_peak_width: -1.0 Scoring|TransitionGroupPicker|peak_integration: original Scoring|TransitionGroupPicker|background_subtraction: none Scoring|TransitionGroupPicker|recalculate_peaks: True Scoring|TransitionGroupPicker|use_precursors: False Scoring|TransitionGroupPicker|use_consensus: True Scoring|TransitionGroupPicker|recalculate_peaks_max_z: 0.75 Scoring|TransitionGroupPicker|minimal_quality: -1.5 Scoring|TransitionGroupPicker|resample_boundary: 15.0 Scoring|TransitionGroupPicker|compute_peak_quality: False Scoring|TransitionGroupPicker|compute_peak_shape_metrics: False Scoring|TransitionGroupPicker|compute_total_mi: False Scoring|TransitionGroupPicker|boundary_selection_method: largest Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_frame_length: 11 Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_polynomial_order: 3 Scoring|TransitionGroupPicker|PeakPickerMRM|gauss_width: 30.0 Scoring|TransitionGroupPicker|PeakPickerMRM|use_gauss: False Scoring|TransitionGroupPicker|PeakPickerMRM|peak_width: -1.0 Scoring|TransitionGroupPicker|PeakPickerMRM|signal_to_noise: 0.1 Scoring|TransitionGroupPicker|PeakPickerMRM|write_sn_log_messages: False Scoring|TransitionGroupPicker|PeakPickerMRM|remove_overlapping_peaks: True Scoring|TransitionGroupPicker|PeakPickerMRM|method: corrected Scoring|TransitionGroupPicker|PeakIntegrator|integration_type: intensity_sum Scoring|TransitionGroupPicker|PeakIntegrator|baseline_type: base_to_base Scoring|TransitionGroupPicker|PeakIntegrator|fit_EMG: False Scoring|DIAScoring|dia_extraction_window: 0.05 Scoring|DIAScoring|dia_extraction_unit: Th Scoring|DIAScoring|dia_centroided: False Scoring|DIAScoring|dia_byseries_intensity_min: 300.0 Scoring|DIAScoring|dia_byseries_ppm_diff: 10.0 Scoring|DIAScoring|dia_nr_isotopes: 4 Scoring|DIAScoring|dia_nr_charges: 4 Scoring|DIAScoring|peak_before_mono_max_ppm_diff: 20.0 Scoring|EMGScoring|max_iteration: 10 Scoring|EMGScoring|init_mom: False Scoring|Scores|use_shape_score: True Scoring|Scores|use_coelution_score: True Scoring|Scores|use_rt_score: True Scoring|Scores|use_library_score: True Scoring|Scores|use_intensity_score: True Scoring|Scores|use_nr_peaks_score: True Scoring|Scores|use_total_xic_score: True Scoring|Scores|use_total_mi_score: False Scoring|Scores|use_sn_score: True Scoring|Scores|use_mi_score: True Scoring|Scores|use_dia_scores: True Scoring|Scores|use_ms1_correlation: False Scoring|Scores|use_sonar_scores: False Scoring|Scores|use_ion_mobility_scores: True Scoring|Scores|use_ms1_fullscan: False Scoring|Scores|use_ms1_mi: True Scoring|Scores|use_uis_scores: False Scoring|Scores|use_ionseries_scores: True Scoring|Scores|use_ms2_isotope_scores: True adv_opts|sort_swath_maps: False adv_opts|enable_ms1: True adv_opts|enable_ipf: True adv_opts|out_chrom_type: mzML adv_opts|min_upper_edge_dist: 0.0 adv_opts|extra_rt_extraction_window: 0.0 adv_opts|mz_extraction_window_unit: ppm adv_opts|mz_extraction_window_ms1_unit: ppm adv_opts|use_ms1_ion_mobility: False adv_opts|matching_window_only: False adv_opts|irt_mz_extraction_window: 50.0 adv_opts|irt_mz_extraction_window_unit: ppm adv_opts|irt_im_extraction_window: -1.0 adv_opts|min_rsq: 0.95 adv_opts|min_coverage: 0.6 adv_opts|split_file_input: False adv_opts|use_elution_model_score: False adv_opts|readOptions: workingInMemory adv_opts|mz_correction_function: none adv_opts|extraction_function: tophat adv_opts|batchSize: 1000 adv_opts|ms1_isotopes: 3 adv_opts|force: False adv_opts|test: false OPTIONAL_OUTPUTS: ['ctd_out_FLAG', 'out_features_FLAG', 'out_chrom_FLAG'] |
name: value name: value name: value |
OpenSwathWorkflow_17_input.mzML OpenSwathWorkflow_17_input.tsv value |
Test-15 |
in: OpenSwathWorkflow_17_input.mzML tr: OpenSwathWorkflow_17_input.tsv sonar: False rt_extraction_window: 600.0 ion_mobility_window: 0.05 mz_extraction_window: 50.0 mz_extraction_window_ms1: 50.0 im_extraction_window_ms1: -1.0 Calibration|ms1_im_calibration: False Calibration|im_correction_function: linear Calibration|debug_im_file: Calibration|debug_mz_file: Library|retentionTimeInterpretation: iRT Library|override_group_label_check: False Library|force_invalid_mods: False RTNormalization|alignmentMethod: linear RTNormalization|outlierMethod: iter_residual RTNormalization|useIterativeChauvenet: False RTNormalization|RANSACMaxIterations: 1000 RTNormalization|RANSACMaxPercentRTThreshold: 3 RTNormalization|RANSACSamplingSize: 10 RTNormalization|estimateBestPeptides: False RTNormalization|InitialQualityCutoff: 0.5 RTNormalization|OverallQualityCutoff: 5.5 RTNormalization|NrRTBins: 10 RTNormalization|MinPeptidesPerBin: 1 RTNormalization|MinBinsFilled: 8 RTNormalization|lowess|span: 0.05 RTNormalization|b_spline|num_nodes: 5 Scoring|stop_report_after_feature: 5 Scoring|rt_normalization_factor: 100.0 Scoring|quantification_cutoff: 0.0 Scoring|write_convex_hull: False Scoring|spectrum_addition_method: simple Scoring|add_up_spectra: 1 Scoring|spacing_for_spectra_resampling: 0.005 Scoring|uis_threshold_sn: -1 Scoring|uis_threshold_peak_area: 0 Scoring|scoring_model: default Scoring|im_extra_drift: 0.0 Scoring|strict: True Scoring|TransitionGroupPicker|stop_after_feature: -1 Scoring|TransitionGroupPicker|min_peak_width: -1.0 Scoring|TransitionGroupPicker|peak_integration: original Scoring|TransitionGroupPicker|background_subtraction: none Scoring|TransitionGroupPicker|recalculate_peaks: True Scoring|TransitionGroupPicker|use_precursors: False Scoring|TransitionGroupPicker|use_consensus: True Scoring|TransitionGroupPicker|recalculate_peaks_max_z: 0.75 Scoring|TransitionGroupPicker|minimal_quality: -1.5 Scoring|TransitionGroupPicker|resample_boundary: 15.0 Scoring|TransitionGroupPicker|compute_peak_quality: False Scoring|TransitionGroupPicker|compute_peak_shape_metrics: False Scoring|TransitionGroupPicker|compute_total_mi: False Scoring|TransitionGroupPicker|boundary_selection_method: largest Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_frame_length: 11 Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_polynomial_order: 3 Scoring|TransitionGroupPicker|PeakPickerMRM|gauss_width: 30.0 Scoring|TransitionGroupPicker|PeakPickerMRM|use_gauss: False Scoring|TransitionGroupPicker|PeakPickerMRM|peak_width: -1.0 Scoring|TransitionGroupPicker|PeakPickerMRM|signal_to_noise: 0.1 Scoring|TransitionGroupPicker|PeakPickerMRM|write_sn_log_messages: False Scoring|TransitionGroupPicker|PeakPickerMRM|remove_overlapping_peaks: True Scoring|TransitionGroupPicker|PeakPickerMRM|method: corrected Scoring|TransitionGroupPicker|PeakIntegrator|integration_type: intensity_sum Scoring|TransitionGroupPicker|PeakIntegrator|baseline_type: base_to_base Scoring|TransitionGroupPicker|PeakIntegrator|fit_EMG: False Scoring|DIAScoring|dia_extraction_window: 0.05 Scoring|DIAScoring|dia_extraction_unit: Th Scoring|DIAScoring|dia_centroided: False Scoring|DIAScoring|dia_byseries_intensity_min: 300.0 Scoring|DIAScoring|dia_byseries_ppm_diff: 10.0 Scoring|DIAScoring|dia_nr_isotopes: 4 Scoring|DIAScoring|dia_nr_charges: 4 Scoring|DIAScoring|peak_before_mono_max_ppm_diff: 20.0 Scoring|EMGScoring|max_iteration: 10 Scoring|EMGScoring|init_mom: False Scoring|Scores|use_shape_score: True Scoring|Scores|use_coelution_score: True Scoring|Scores|use_rt_score: True Scoring|Scores|use_library_score: True Scoring|Scores|use_intensity_score: True Scoring|Scores|use_nr_peaks_score: True Scoring|Scores|use_total_xic_score: True Scoring|Scores|use_total_mi_score: False Scoring|Scores|use_sn_score: True Scoring|Scores|use_mi_score: True Scoring|Scores|use_dia_scores: True Scoring|Scores|use_ms1_correlation: False Scoring|Scores|use_sonar_scores: False Scoring|Scores|use_ion_mobility_scores: True Scoring|Scores|use_ms1_fullscan: False Scoring|Scores|use_ms1_mi: True Scoring|Scores|use_uis_scores: False Scoring|Scores|use_ionseries_scores: True Scoring|Scores|use_ms2_isotope_scores: True adv_opts|sort_swath_maps: False adv_opts|enable_ms1: True adv_opts|enable_ipf: True adv_opts|out_chrom_type: mzML adv_opts|min_upper_edge_dist: 0.0 adv_opts|extra_rt_extraction_window: 0.0 adv_opts|mz_extraction_window_unit: ppm adv_opts|mz_extraction_window_ms1_unit: ppm adv_opts|use_ms1_ion_mobility: False adv_opts|matching_window_only: False adv_opts|irt_mz_extraction_window: 50.0 adv_opts|irt_mz_extraction_window_unit: ppm adv_opts|irt_im_extraction_window: -1.0 adv_opts|min_rsq: 0.95 adv_opts|min_coverage: 0.6 adv_opts|split_file_input: False adv_opts|use_elution_model_score: False adv_opts|readOptions: cache adv_opts|mz_correction_function: none adv_opts|extraction_function: tophat adv_opts|batchSize: 1000 adv_opts|ms1_isotopes: 3 adv_opts|force: False adv_opts|test: false OPTIONAL_OUTPUTS: ['ctd_out_FLAG', 'out_features_FLAG', 'out_chrom_FLAG'] |
name: value name: value name: value |
OpenSwathWorkflow_17_input.mzML OpenSwathWorkflow_17_input.tsv value |
Test-16 |
in: OpenSwathWorkflow_17_input.mzML tr: OpenSwathWorkflow_17_input.pqp.tmp sonar: False rt_extraction_window: 600.0 ion_mobility_window: 0.05 mz_extraction_window: 50.0 mz_extraction_window_ms1: 50.0 im_extraction_window_ms1: -1.0 Calibration|ms1_im_calibration: False Calibration|im_correction_function: linear Calibration|debug_im_file: Calibration|debug_mz_file: Library|retentionTimeInterpretation: iRT Library|override_group_label_check: False Library|force_invalid_mods: False RTNormalization|alignmentMethod: linear RTNormalization|outlierMethod: iter_residual RTNormalization|useIterativeChauvenet: False RTNormalization|RANSACMaxIterations: 1000 RTNormalization|RANSACMaxPercentRTThreshold: 3 RTNormalization|RANSACSamplingSize: 10 RTNormalization|estimateBestPeptides: False RTNormalization|InitialQualityCutoff: 0.5 RTNormalization|OverallQualityCutoff: 5.5 RTNormalization|NrRTBins: 10 RTNormalization|MinPeptidesPerBin: 1 RTNormalization|MinBinsFilled: 8 RTNormalization|lowess|span: 0.05 RTNormalization|b_spline|num_nodes: 5 Scoring|stop_report_after_feature: 5 Scoring|rt_normalization_factor: 100.0 Scoring|quantification_cutoff: 0.0 Scoring|write_convex_hull: False Scoring|spectrum_addition_method: simple Scoring|add_up_spectra: 1 Scoring|spacing_for_spectra_resampling: 0.005 Scoring|uis_threshold_sn: -1 Scoring|uis_threshold_peak_area: 0 Scoring|scoring_model: default Scoring|im_extra_drift: 0.0 Scoring|strict: True Scoring|TransitionGroupPicker|stop_after_feature: -1 Scoring|TransitionGroupPicker|min_peak_width: -1.0 Scoring|TransitionGroupPicker|peak_integration: original Scoring|TransitionGroupPicker|background_subtraction: none Scoring|TransitionGroupPicker|recalculate_peaks: True Scoring|TransitionGroupPicker|use_precursors: False Scoring|TransitionGroupPicker|use_consensus: True Scoring|TransitionGroupPicker|recalculate_peaks_max_z: 0.75 Scoring|TransitionGroupPicker|minimal_quality: -1.5 Scoring|TransitionGroupPicker|resample_boundary: 15.0 Scoring|TransitionGroupPicker|compute_peak_quality: False Scoring|TransitionGroupPicker|compute_peak_shape_metrics: False Scoring|TransitionGroupPicker|compute_total_mi: False Scoring|TransitionGroupPicker|boundary_selection_method: largest Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_frame_length: 11 Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_polynomial_order: 3 Scoring|TransitionGroupPicker|PeakPickerMRM|gauss_width: 30.0 Scoring|TransitionGroupPicker|PeakPickerMRM|use_gauss: False Scoring|TransitionGroupPicker|PeakPickerMRM|peak_width: -1.0 Scoring|TransitionGroupPicker|PeakPickerMRM|signal_to_noise: 0.1 Scoring|TransitionGroupPicker|PeakPickerMRM|write_sn_log_messages: False Scoring|TransitionGroupPicker|PeakPickerMRM|remove_overlapping_peaks: True Scoring|TransitionGroupPicker|PeakPickerMRM|method: corrected Scoring|TransitionGroupPicker|PeakIntegrator|integration_type: intensity_sum Scoring|TransitionGroupPicker|PeakIntegrator|baseline_type: base_to_base Scoring|TransitionGroupPicker|PeakIntegrator|fit_EMG: False Scoring|DIAScoring|dia_extraction_window: 0.05 Scoring|DIAScoring|dia_extraction_unit: Th Scoring|DIAScoring|dia_centroided: False Scoring|DIAScoring|dia_byseries_intensity_min: 300.0 Scoring|DIAScoring|dia_byseries_ppm_diff: 10.0 Scoring|DIAScoring|dia_nr_isotopes: 4 Scoring|DIAScoring|dia_nr_charges: 4 Scoring|DIAScoring|peak_before_mono_max_ppm_diff: 20.0 Scoring|EMGScoring|max_iteration: 10 Scoring|EMGScoring|init_mom: False Scoring|Scores|use_shape_score: True Scoring|Scores|use_coelution_score: True Scoring|Scores|use_rt_score: True Scoring|Scores|use_library_score: True Scoring|Scores|use_intensity_score: True Scoring|Scores|use_nr_peaks_score: True Scoring|Scores|use_total_xic_score: True Scoring|Scores|use_total_mi_score: False Scoring|Scores|use_sn_score: True Scoring|Scores|use_mi_score: True Scoring|Scores|use_dia_scores: True Scoring|Scores|use_ms1_correlation: False Scoring|Scores|use_sonar_scores: False Scoring|Scores|use_ion_mobility_scores: False Scoring|Scores|use_ms1_fullscan: False Scoring|Scores|use_ms1_mi: True Scoring|Scores|use_uis_scores: False Scoring|Scores|use_ionseries_scores: True Scoring|Scores|use_ms2_isotope_scores: True adv_opts|sort_swath_maps: False adv_opts|enable_ms1: True adv_opts|enable_ipf: True adv_opts|out_chrom_type: mzML adv_opts|min_upper_edge_dist: 0.0 adv_opts|extra_rt_extraction_window: 0.0 adv_opts|mz_extraction_window_unit: ppm adv_opts|mz_extraction_window_ms1_unit: ppm adv_opts|use_ms1_ion_mobility: False adv_opts|matching_window_only: False adv_opts|irt_mz_extraction_window: 50.0 adv_opts|irt_mz_extraction_window_unit: ppm adv_opts|irt_im_extraction_window: -1.0 adv_opts|min_rsq: 0.95 adv_opts|min_coverage: 0.6 adv_opts|split_file_input: False adv_opts|use_elution_model_score: False adv_opts|readOptions: workingInMemory adv_opts|mz_correction_function: none adv_opts|extraction_function: tophat adv_opts|batchSize: 1000 adv_opts|ms1_isotopes: 3 adv_opts|force: False adv_opts|test: false OPTIONAL_OUTPUTS: ['ctd_out_FLAG', 'out_features_FLAG', 'out_chrom_FLAG'] |
name: value name: value name: value |
OpenSwathWorkflow_17_input.mzML OpenSwathWorkflow_17_input.pqp.tmp value |
Test-17 |
in: OpenSwathWorkflow_1_input.mzML tr: OpenSwathWorkflow_1_input.TraML sonar: False rt_extraction_window: 600.0 ion_mobility_window: -1.0 mz_extraction_window: 0.05 mz_extraction_window_ms1: 50.0 im_extraction_window_ms1: -1.0 Calibration|ms1_im_calibration: False Calibration|im_correction_function: linear Calibration|debug_im_file: Calibration|debug_mz_file: Library|retentionTimeInterpretation: iRT Library|override_group_label_check: False Library|force_invalid_mods: False RTNormalization|alignmentMethod: linear RTNormalization|outlierMethod: iter_residual RTNormalization|useIterativeChauvenet: False RTNormalization|RANSACMaxIterations: 1000 RTNormalization|RANSACMaxPercentRTThreshold: 3 RTNormalization|RANSACSamplingSize: 10 RTNormalization|estimateBestPeptides: False RTNormalization|InitialQualityCutoff: 0.5 RTNormalization|OverallQualityCutoff: 5.5 RTNormalization|NrRTBins: 10 RTNormalization|MinPeptidesPerBin: 1 RTNormalization|MinBinsFilled: 8 RTNormalization|lowess|span: 0.05 RTNormalization|b_spline|num_nodes: 5 Scoring|stop_report_after_feature: 5 Scoring|rt_normalization_factor: 100.0 Scoring|quantification_cutoff: 0.0 Scoring|write_convex_hull: False Scoring|spectrum_addition_method: simple Scoring|add_up_spectra: 1 Scoring|spacing_for_spectra_resampling: 0.005 Scoring|uis_threshold_sn: -1 Scoring|uis_threshold_peak_area: 0 Scoring|scoring_model: default Scoring|im_extra_drift: 0.0 Scoring|strict: True Scoring|TransitionGroupPicker|stop_after_feature: -1 Scoring|TransitionGroupPicker|min_peak_width: -1.0 Scoring|TransitionGroupPicker|peak_integration: original Scoring|TransitionGroupPicker|background_subtraction: none Scoring|TransitionGroupPicker|recalculate_peaks: True Scoring|TransitionGroupPicker|use_precursors: False Scoring|TransitionGroupPicker|use_consensus: True Scoring|TransitionGroupPicker|recalculate_peaks_max_z: 0.75 Scoring|TransitionGroupPicker|minimal_quality: -1.5 Scoring|TransitionGroupPicker|resample_boundary: 15.0 Scoring|TransitionGroupPicker|compute_peak_quality: True Scoring|TransitionGroupPicker|compute_peak_shape_metrics: False Scoring|TransitionGroupPicker|compute_total_mi: False Scoring|TransitionGroupPicker|boundary_selection_method: largest Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_frame_length: 11 Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_polynomial_order: 3 Scoring|TransitionGroupPicker|PeakPickerMRM|gauss_width: 30.0 Scoring|TransitionGroupPicker|PeakPickerMRM|use_gauss: False Scoring|TransitionGroupPicker|PeakPickerMRM|peak_width: -1.0 Scoring|TransitionGroupPicker|PeakPickerMRM|signal_to_noise: 0.1 Scoring|TransitionGroupPicker|PeakPickerMRM|write_sn_log_messages: False Scoring|TransitionGroupPicker|PeakPickerMRM|remove_overlapping_peaks: True Scoring|TransitionGroupPicker|PeakPickerMRM|method: corrected Scoring|TransitionGroupPicker|PeakIntegrator|integration_type: intensity_sum Scoring|TransitionGroupPicker|PeakIntegrator|baseline_type: base_to_base Scoring|TransitionGroupPicker|PeakIntegrator|fit_EMG: False Scoring|DIAScoring|dia_extraction_window: 0.05 Scoring|DIAScoring|dia_extraction_unit: Th Scoring|DIAScoring|dia_centroided: False Scoring|DIAScoring|dia_byseries_intensity_min: 300.0 Scoring|DIAScoring|dia_byseries_ppm_diff: 10.0 Scoring|DIAScoring|dia_nr_isotopes: 4 Scoring|DIAScoring|dia_nr_charges: 4 Scoring|DIAScoring|peak_before_mono_max_ppm_diff: 20.0 Scoring|EMGScoring|max_iteration: 10 Scoring|EMGScoring|init_mom: False Scoring|Scores|use_shape_score: True Scoring|Scores|use_coelution_score: True Scoring|Scores|use_rt_score: True Scoring|Scores|use_library_score: True Scoring|Scores|use_intensity_score: True Scoring|Scores|use_nr_peaks_score: True Scoring|Scores|use_total_xic_score: True Scoring|Scores|use_total_mi_score: False Scoring|Scores|use_sn_score: True Scoring|Scores|use_mi_score: False Scoring|Scores|use_dia_scores: True Scoring|Scores|use_ms1_correlation: False Scoring|Scores|use_sonar_scores: False Scoring|Scores|use_ion_mobility_scores: False Scoring|Scores|use_ms1_fullscan: False Scoring|Scores|use_ms1_mi: True Scoring|Scores|use_uis_scores: False Scoring|Scores|use_ionseries_scores: True Scoring|Scores|use_ms2_isotope_scores: True adv_opts|rt_norm: OpenSwathWorkflow_1_input.trafoXML adv_opts|sort_swath_maps: False adv_opts|enable_ms1: True adv_opts|enable_ipf: True adv_opts|min_upper_edge_dist: 0.0 adv_opts|extra_rt_extraction_window: 0.0 adv_opts|mz_extraction_window_unit: Th adv_opts|mz_extraction_window_ms1_unit: ppm adv_opts|use_ms1_ion_mobility: True adv_opts|matching_window_only: False adv_opts|irt_mz_extraction_window: 50.0 adv_opts|irt_mz_extraction_window_unit: ppm adv_opts|irt_im_extraction_window: -1.0 adv_opts|min_rsq: 0.95 adv_opts|min_coverage: 0.6 adv_opts|split_file_input: False adv_opts|use_elution_model_score: False adv_opts|readOptions: normal adv_opts|mz_correction_function: none adv_opts|extraction_function: tophat adv_opts|batchSize: 1000 adv_opts|ms1_isotopes: 0 adv_opts|force: False adv_opts|test: true OPTIONAL_OUTPUTS: ['ctd_out_FLAG', 'out_features_FLAG'] |
name: value name: value |
OpenSwathWorkflow_1_input.mzML OpenSwathWorkflow_1_input.TraML OpenSwathWorkflow_1_input.trafoXML value |
Test-18 |
in: OpenSwathWorkflow_1_input.mzML tr: OpenSwathWorkflow_1_input.TraML sonar: False rt_extraction_window: 600.0 ion_mobility_window: -1.0 mz_extraction_window: 0.05 mz_extraction_window_ms1: 50.0 im_extraction_window_ms1: -1.0 Calibration|ms1_im_calibration: False Calibration|im_correction_function: linear Calibration|debug_im_file: Calibration|debug_mz_file: Library|retentionTimeInterpretation: iRT Library|override_group_label_check: False Library|force_invalid_mods: False RTNormalization|alignmentMethod: linear RTNormalization|outlierMethod: iter_residual RTNormalization|useIterativeChauvenet: False RTNormalization|RANSACMaxIterations: 1000 RTNormalization|RANSACMaxPercentRTThreshold: 3 RTNormalization|RANSACSamplingSize: 10 RTNormalization|estimateBestPeptides: False RTNormalization|InitialQualityCutoff: 0.5 RTNormalization|OverallQualityCutoff: 5.5 RTNormalization|NrRTBins: 10 RTNormalization|MinPeptidesPerBin: 1 RTNormalization|MinBinsFilled: 8 RTNormalization|lowess|span: 0.05 RTNormalization|b_spline|num_nodes: 5 Scoring|stop_report_after_feature: 5 Scoring|rt_normalization_factor: 100.0 Scoring|quantification_cutoff: 0.0 Scoring|write_convex_hull: False Scoring|spectrum_addition_method: simple Scoring|add_up_spectra: 1 Scoring|spacing_for_spectra_resampling: 0.005 Scoring|uis_threshold_sn: -1 Scoring|uis_threshold_peak_area: 0 Scoring|scoring_model: default Scoring|im_extra_drift: 0.0 Scoring|strict: True Scoring|TransitionGroupPicker|stop_after_feature: -1 Scoring|TransitionGroupPicker|min_peak_width: -1.0 Scoring|TransitionGroupPicker|peak_integration: original Scoring|TransitionGroupPicker|background_subtraction: none Scoring|TransitionGroupPicker|recalculate_peaks: True Scoring|TransitionGroupPicker|use_precursors: False Scoring|TransitionGroupPicker|use_consensus: True Scoring|TransitionGroupPicker|recalculate_peaks_max_z: 0.75 Scoring|TransitionGroupPicker|minimal_quality: -1.5 Scoring|TransitionGroupPicker|resample_boundary: 15.0 Scoring|TransitionGroupPicker|compute_peak_quality: True Scoring|TransitionGroupPicker|compute_peak_shape_metrics: False Scoring|TransitionGroupPicker|compute_total_mi: False Scoring|TransitionGroupPicker|boundary_selection_method: largest Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_frame_length: 11 Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_polynomial_order: 3 Scoring|TransitionGroupPicker|PeakPickerMRM|gauss_width: 30.0 Scoring|TransitionGroupPicker|PeakPickerMRM|use_gauss: False Scoring|TransitionGroupPicker|PeakPickerMRM|peak_width: -1.0 Scoring|TransitionGroupPicker|PeakPickerMRM|signal_to_noise: 0.1 Scoring|TransitionGroupPicker|PeakPickerMRM|write_sn_log_messages: False Scoring|TransitionGroupPicker|PeakPickerMRM|remove_overlapping_peaks: True Scoring|TransitionGroupPicker|PeakPickerMRM|method: corrected Scoring|TransitionGroupPicker|PeakIntegrator|integration_type: intensity_sum Scoring|TransitionGroupPicker|PeakIntegrator|baseline_type: base_to_base Scoring|TransitionGroupPicker|PeakIntegrator|fit_EMG: False Scoring|DIAScoring|dia_extraction_window: 0.05 Scoring|DIAScoring|dia_extraction_unit: Th Scoring|DIAScoring|dia_centroided: False Scoring|DIAScoring|dia_byseries_intensity_min: 300.0 Scoring|DIAScoring|dia_byseries_ppm_diff: 10.0 Scoring|DIAScoring|dia_nr_isotopes: 4 Scoring|DIAScoring|dia_nr_charges: 4 Scoring|DIAScoring|peak_before_mono_max_ppm_diff: 20.0 Scoring|EMGScoring|max_iteration: 10 Scoring|EMGScoring|init_mom: False Scoring|Scores|use_shape_score: True Scoring|Scores|use_coelution_score: True Scoring|Scores|use_rt_score: True Scoring|Scores|use_library_score: True Scoring|Scores|use_intensity_score: True Scoring|Scores|use_nr_peaks_score: True Scoring|Scores|use_total_xic_score: True Scoring|Scores|use_total_mi_score: False Scoring|Scores|use_sn_score: True Scoring|Scores|use_mi_score: True Scoring|Scores|use_dia_scores: True Scoring|Scores|use_ms1_correlation: False Scoring|Scores|use_sonar_scores: False Scoring|Scores|use_ion_mobility_scores: False Scoring|Scores|use_ms1_fullscan: False Scoring|Scores|use_ms1_mi: False Scoring|Scores|use_uis_scores: False Scoring|Scores|use_ionseries_scores: True Scoring|Scores|use_ms2_isotope_scores: True adv_opts|rt_norm: OpenSwathWorkflow_1_input.trafoXML adv_opts|sort_swath_maps: False adv_opts|enable_ms1: True adv_opts|enable_ipf: True adv_opts|min_upper_edge_dist: 0.0 adv_opts|extra_rt_extraction_window: 0.0 adv_opts|mz_extraction_window_unit: Th adv_opts|mz_extraction_window_ms1_unit: ppm adv_opts|use_ms1_ion_mobility: True adv_opts|matching_window_only: False adv_opts|irt_mz_extraction_window: 50.0 adv_opts|irt_mz_extraction_window_unit: ppm adv_opts|irt_im_extraction_window: -1.0 adv_opts|min_rsq: 0.95 adv_opts|min_coverage: 0.6 adv_opts|split_file_input: False adv_opts|use_elution_model_score: False adv_opts|readOptions: normal adv_opts|mz_correction_function: none adv_opts|extraction_function: tophat adv_opts|batchSize: 1000 adv_opts|ms1_isotopes: 0 adv_opts|force: False adv_opts|test: true OPTIONAL_OUTPUTS: ['ctd_out_FLAG', 'out_features_FLAG'] |
name: value name: value |
OpenSwathWorkflow_1_input.mzML OpenSwathWorkflow_1_input.TraML OpenSwathWorkflow_1_input.trafoXML value |
Test-19 |
in: OpenSwathWorkflow_1_input.mzML tr: OpenSwathWorkflow_1_input.TraML sonar: False rt_extraction_window: 600.0 ion_mobility_window: -1.0 mz_extraction_window: 0.05 mz_extraction_window_ms1: 50.0 im_extraction_window_ms1: -1.0 Calibration|ms1_im_calibration: False Calibration|im_correction_function: linear Calibration|debug_im_file: Calibration|debug_mz_file: Library|retentionTimeInterpretation: iRT Library|override_group_label_check: False Library|force_invalid_mods: False RTNormalization|alignmentMethod: linear RTNormalization|outlierMethod: iter_residual RTNormalization|useIterativeChauvenet: False RTNormalization|RANSACMaxIterations: 1000 RTNormalization|RANSACMaxPercentRTThreshold: 3 RTNormalization|RANSACSamplingSize: 10 RTNormalization|estimateBestPeptides: False RTNormalization|InitialQualityCutoff: 0.5 RTNormalization|OverallQualityCutoff: 5.5 RTNormalization|NrRTBins: 10 RTNormalization|MinPeptidesPerBin: 1 RTNormalization|MinBinsFilled: 8 RTNormalization|lowess|span: 0.05 RTNormalization|b_spline|num_nodes: 5 Scoring|stop_report_after_feature: 5 Scoring|rt_normalization_factor: 100.0 Scoring|quantification_cutoff: 0.0 Scoring|write_convex_hull: False Scoring|spectrum_addition_method: simple Scoring|add_up_spectra: 1 Scoring|spacing_for_spectra_resampling: 0.005 Scoring|uis_threshold_sn: -1 Scoring|uis_threshold_peak_area: 0 Scoring|scoring_model: default Scoring|im_extra_drift: 0.0 Scoring|strict: True Scoring|TransitionGroupPicker|stop_after_feature: -1 Scoring|TransitionGroupPicker|min_peak_width: -1.0 Scoring|TransitionGroupPicker|peak_integration: original Scoring|TransitionGroupPicker|background_subtraction: none Scoring|TransitionGroupPicker|recalculate_peaks: True Scoring|TransitionGroupPicker|use_precursors: False Scoring|TransitionGroupPicker|use_consensus: True Scoring|TransitionGroupPicker|recalculate_peaks_max_z: 0.75 Scoring|TransitionGroupPicker|minimal_quality: -1.5 Scoring|TransitionGroupPicker|resample_boundary: 15.0 Scoring|TransitionGroupPicker|compute_peak_quality: True Scoring|TransitionGroupPicker|compute_peak_shape_metrics: False Scoring|TransitionGroupPicker|compute_total_mi: False Scoring|TransitionGroupPicker|boundary_selection_method: largest Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_frame_length: 11 Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_polynomial_order: 3 Scoring|TransitionGroupPicker|PeakPickerMRM|gauss_width: 30.0 Scoring|TransitionGroupPicker|PeakPickerMRM|use_gauss: False Scoring|TransitionGroupPicker|PeakPickerMRM|peak_width: -1.0 Scoring|TransitionGroupPicker|PeakPickerMRM|signal_to_noise: 0.1 Scoring|TransitionGroupPicker|PeakPickerMRM|write_sn_log_messages: False Scoring|TransitionGroupPicker|PeakPickerMRM|remove_overlapping_peaks: True Scoring|TransitionGroupPicker|PeakPickerMRM|method: corrected Scoring|TransitionGroupPicker|PeakIntegrator|integration_type: intensity_sum Scoring|TransitionGroupPicker|PeakIntegrator|baseline_type: base_to_base Scoring|TransitionGroupPicker|PeakIntegrator|fit_EMG: False Scoring|DIAScoring|dia_extraction_window: 0.05 Scoring|DIAScoring|dia_extraction_unit: Th Scoring|DIAScoring|dia_centroided: False Scoring|DIAScoring|dia_byseries_intensity_min: 300.0 Scoring|DIAScoring|dia_byseries_ppm_diff: 10.0 Scoring|DIAScoring|dia_nr_isotopes: 4 Scoring|DIAScoring|dia_nr_charges: 4 Scoring|DIAScoring|peak_before_mono_max_ppm_diff: 20.0 Scoring|EMGScoring|max_iteration: 10 Scoring|EMGScoring|init_mom: False Scoring|Scores|use_shape_score: True Scoring|Scores|use_coelution_score: True Scoring|Scores|use_rt_score: True Scoring|Scores|use_library_score: True Scoring|Scores|use_intensity_score: True Scoring|Scores|use_nr_peaks_score: True Scoring|Scores|use_total_xic_score: True Scoring|Scores|use_total_mi_score: True Scoring|Scores|use_sn_score: True Scoring|Scores|use_mi_score: True Scoring|Scores|use_dia_scores: True Scoring|Scores|use_ms1_correlation: False Scoring|Scores|use_sonar_scores: False Scoring|Scores|use_ion_mobility_scores: False Scoring|Scores|use_ms1_fullscan: False Scoring|Scores|use_ms1_mi: False Scoring|Scores|use_uis_scores: False Scoring|Scores|use_ionseries_scores: True Scoring|Scores|use_ms2_isotope_scores: True adv_opts|rt_norm: OpenSwathWorkflow_1_input.trafoXML adv_opts|sort_swath_maps: False adv_opts|enable_ms1: True adv_opts|enable_ipf: True adv_opts|min_upper_edge_dist: 0.0 adv_opts|extra_rt_extraction_window: 0.0 adv_opts|mz_extraction_window_unit: Th adv_opts|mz_extraction_window_ms1_unit: ppm adv_opts|use_ms1_ion_mobility: True adv_opts|matching_window_only: False adv_opts|irt_mz_extraction_window: 50.0 adv_opts|irt_mz_extraction_window_unit: ppm adv_opts|irt_im_extraction_window: -1.0 adv_opts|min_rsq: 0.95 adv_opts|min_coverage: 0.6 adv_opts|split_file_input: False adv_opts|use_elution_model_score: False adv_opts|readOptions: normal adv_opts|mz_correction_function: none adv_opts|extraction_function: tophat adv_opts|batchSize: 1000 adv_opts|ms1_isotopes: 0 adv_opts|force: False adv_opts|test: true OPTIONAL_OUTPUTS: ['ctd_out_FLAG', 'out_features_FLAG'] |
name: value name: value |
OpenSwathWorkflow_1_input.mzML OpenSwathWorkflow_1_input.TraML OpenSwathWorkflow_1_input.trafoXML value |
Test-20 |
in: OpenSwathWorkflow_21_input.mzML tr: OpenSwathWorkflow_21_input.tsv tr_irt: OpenSwathWorkflow_21_input.irt.TraML sonar: False rt_extraction_window: 600.0 ion_mobility_window: -1.0 mz_extraction_window: 0.05 mz_extraction_window_ms1: 50.0 im_extraction_window_ms1: -1.0 Calibration|ms1_im_calibration: False Calibration|im_correction_function: linear Calibration|debug_im_file: Calibration|debug_mz_file: Library|retentionTimeInterpretation: iRT Library|override_group_label_check: False Library|force_invalid_mods: False RTNormalization|alignmentMethod: linear RTNormalization|outlierMethod: iter_residual RTNormalization|useIterativeChauvenet: False RTNormalization|RANSACMaxIterations: 1000 RTNormalization|RANSACMaxPercentRTThreshold: 3 RTNormalization|RANSACSamplingSize: 10 RTNormalization|estimateBestPeptides: False RTNormalization|InitialQualityCutoff: 0.5 RTNormalization|OverallQualityCutoff: 5.5 RTNormalization|NrRTBins: 10 RTNormalization|MinPeptidesPerBin: 1 RTNormalization|MinBinsFilled: 8 RTNormalization|lowess|span: 0.6666666666666666 RTNormalization|b_spline|num_nodes: 5 Scoring|stop_report_after_feature: 5 Scoring|rt_normalization_factor: 100.0 Scoring|quantification_cutoff: 0.0 Scoring|write_convex_hull: False Scoring|spectrum_addition_method: simple Scoring|add_up_spectra: 1 Scoring|spacing_for_spectra_resampling: 0.005 Scoring|uis_threshold_sn: -1 Scoring|uis_threshold_peak_area: 0 Scoring|scoring_model: default Scoring|im_extra_drift: 0.0 Scoring|strict: True Scoring|TransitionGroupPicker|stop_after_feature: -1 Scoring|TransitionGroupPicker|min_peak_width: -1.0 Scoring|TransitionGroupPicker|peak_integration: original Scoring|TransitionGroupPicker|background_subtraction: none Scoring|TransitionGroupPicker|recalculate_peaks: True Scoring|TransitionGroupPicker|use_precursors: False Scoring|TransitionGroupPicker|use_consensus: True Scoring|TransitionGroupPicker|recalculate_peaks_max_z: 0.75 Scoring|TransitionGroupPicker|minimal_quality: -1.5 Scoring|TransitionGroupPicker|resample_boundary: 15.0 Scoring|TransitionGroupPicker|compute_peak_quality: True Scoring|TransitionGroupPicker|compute_peak_shape_metrics: False Scoring|TransitionGroupPicker|compute_total_mi: False Scoring|TransitionGroupPicker|boundary_selection_method: largest Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_frame_length: 11 Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_polynomial_order: 3 Scoring|TransitionGroupPicker|PeakPickerMRM|gauss_width: 30.0 Scoring|TransitionGroupPicker|PeakPickerMRM|use_gauss: False Scoring|TransitionGroupPicker|PeakPickerMRM|peak_width: -1.0 Scoring|TransitionGroupPicker|PeakPickerMRM|signal_to_noise: 0.1 Scoring|TransitionGroupPicker|PeakPickerMRM|write_sn_log_messages: False Scoring|TransitionGroupPicker|PeakPickerMRM|remove_overlapping_peaks: True Scoring|TransitionGroupPicker|PeakPickerMRM|method: corrected Scoring|TransitionGroupPicker|PeakIntegrator|integration_type: intensity_sum Scoring|TransitionGroupPicker|PeakIntegrator|baseline_type: base_to_base Scoring|TransitionGroupPicker|PeakIntegrator|fit_EMG: False Scoring|DIAScoring|dia_extraction_window: 0.05 Scoring|DIAScoring|dia_extraction_unit: Th Scoring|DIAScoring|dia_centroided: False Scoring|DIAScoring|dia_byseries_intensity_min: 300.0 Scoring|DIAScoring|dia_byseries_ppm_diff: 10.0 Scoring|DIAScoring|dia_nr_isotopes: 4 Scoring|DIAScoring|dia_nr_charges: 4 Scoring|DIAScoring|peak_before_mono_max_ppm_diff: 20.0 Scoring|EMGScoring|max_iteration: 10 Scoring|EMGScoring|init_mom: False Scoring|Scores|use_shape_score: True Scoring|Scores|use_coelution_score: True Scoring|Scores|use_rt_score: True Scoring|Scores|use_library_score: True Scoring|Scores|use_intensity_score: True Scoring|Scores|use_nr_peaks_score: True Scoring|Scores|use_total_xic_score: True Scoring|Scores|use_total_mi_score: True Scoring|Scores|use_sn_score: True Scoring|Scores|use_mi_score: True Scoring|Scores|use_dia_scores: True Scoring|Scores|use_ms1_correlation: False Scoring|Scores|use_sonar_scores: False Scoring|Scores|use_ion_mobility_scores: False Scoring|Scores|use_ms1_fullscan: False Scoring|Scores|use_ms1_mi: False Scoring|Scores|use_uis_scores: False Scoring|Scores|use_ionseries_scores: True Scoring|Scores|use_ms2_isotope_scores: True adv_opts|sort_swath_maps: False adv_opts|enable_ms1: True adv_opts|enable_ipf: True adv_opts|out_chrom_type: mzML adv_opts|min_upper_edge_dist: 0.0 adv_opts|extra_rt_extraction_window: 0.0 adv_opts|mz_extraction_window_unit: Th adv_opts|mz_extraction_window_ms1_unit: ppm adv_opts|use_ms1_ion_mobility: True adv_opts|matching_window_only: False adv_opts|irt_mz_extraction_window: 50.0 adv_opts|irt_mz_extraction_window_unit: ppm adv_opts|irt_im_extraction_window: -1.0 adv_opts|min_rsq: 0.95 adv_opts|min_coverage: 0.6 adv_opts|split_file_input: False adv_opts|use_elution_model_score: False adv_opts|readOptions: normal adv_opts|mz_correction_function: none adv_opts|extraction_function: tophat adv_opts|batchSize: 1000 adv_opts|ms1_isotopes: 0 adv_opts|force: False adv_opts|test: true OPTIONAL_OUTPUTS: ['ctd_out_FLAG', 'out_features_FLAG', 'out_chrom_FLAG', 'irt_trafo_FLAG'] |
name: value name: value name: value name: value |
OpenSwathWorkflow_21_input.mzML OpenSwathWorkflow_21_input.tsv OpenSwathWorkflow_21_input.irt.TraML value |
Test-21 |
in: OpenSwathWorkflow_22_input.mzML tr: OpenSwathWorkflow_22_input.tsv sonar: False rt_extraction_window: 600.0 ion_mobility_window: -1.0 mz_extraction_window: 50.0 mz_extraction_window_ms1: 50.0 im_extraction_window_ms1: -1.0 Calibration|ms1_im_calibration: False Calibration|im_correction_function: linear Calibration|debug_im_file: Calibration|debug_mz_file: Library|retentionTimeInterpretation: iRT Library|override_group_label_check: False Library|force_invalid_mods: False RTNormalization|alignmentMethod: linear RTNormalization|outlierMethod: iter_residual RTNormalization|useIterativeChauvenet: False RTNormalization|RANSACMaxIterations: 1000 RTNormalization|RANSACMaxPercentRTThreshold: 3 RTNormalization|RANSACSamplingSize: 10 RTNormalization|estimateBestPeptides: False RTNormalization|InitialQualityCutoff: 0.5 RTNormalization|OverallQualityCutoff: 5.5 RTNormalization|NrRTBins: 10 RTNormalization|MinPeptidesPerBin: 1 RTNormalization|MinBinsFilled: 8 RTNormalization|lowess|span: 0.05 RTNormalization|b_spline|num_nodes: 5 Scoring|stop_report_after_feature: 5 Scoring|rt_normalization_factor: 100.0 Scoring|quantification_cutoff: 0.0 Scoring|write_convex_hull: False Scoring|spectrum_addition_method: simple Scoring|add_up_spectra: 1 Scoring|spacing_for_spectra_resampling: 0.005 Scoring|uis_threshold_sn: -1 Scoring|uis_threshold_peak_area: 0 Scoring|scoring_model: default Scoring|im_extra_drift: 0.0 Scoring|strict: True Scoring|TransitionGroupPicker|stop_after_feature: -1 Scoring|TransitionGroupPicker|min_peak_width: -1.0 Scoring|TransitionGroupPicker|peak_integration: original Scoring|TransitionGroupPicker|background_subtraction: none Scoring|TransitionGroupPicker|recalculate_peaks: True Scoring|TransitionGroupPicker|use_precursors: False Scoring|TransitionGroupPicker|use_consensus: True Scoring|TransitionGroupPicker|recalculate_peaks_max_z: 0.75 Scoring|TransitionGroupPicker|minimal_quality: -1.5 Scoring|TransitionGroupPicker|resample_boundary: 15.0 Scoring|TransitionGroupPicker|compute_peak_quality: False Scoring|TransitionGroupPicker|compute_peak_shape_metrics: False Scoring|TransitionGroupPicker|compute_total_mi: False Scoring|TransitionGroupPicker|boundary_selection_method: largest Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_frame_length: 11 Scoring|TransitionGroupPicker|PeakPickerMRM|sgolay_polynomial_order: 3 Scoring|TransitionGroupPicker|PeakPickerMRM|gauss_width: 30.0 Scoring|TransitionGroupPicker|PeakPickerMRM|use_gauss: False Scoring|TransitionGroupPicker|PeakPickerMRM|peak_width: -1.0 Scoring|TransitionGroupPicker|PeakPickerMRM|signal_to_noise: 0.1 Scoring|TransitionGroupPicker|PeakPickerMRM|write_sn_log_messages: False Scoring|TransitionGroupPicker|PeakPickerMRM|remove_overlapping_peaks: True Scoring|TransitionGroupPicker|PeakPickerMRM|method: corrected Scoring|TransitionGroupPicker|PeakIntegrator|integration_type: intensity_sum Scoring|TransitionGroupPicker|PeakIntegrator|baseline_type: base_to_base Scoring|TransitionGroupPicker|PeakIntegrator|fit_EMG: False Scoring|DIAScoring|dia_extraction_window: 0.05 Scoring|DIAScoring|dia_extraction_unit: Th Scoring|DIAScoring|dia_centroided: False Scoring|DIAScoring|dia_byseries_intensity_min: 300.0 Scoring|DIAScoring|dia_byseries_ppm_diff: 10.0 Scoring|DIAScoring|dia_nr_isotopes: 4 Scoring|DIAScoring|dia_nr_charges: 4 Scoring|DIAScoring|peak_before_mono_max_ppm_diff: 20.0 Scoring|EMGScoring|max_iteration: 10 Scoring|EMGScoring|init_mom: False Scoring|Scores|use_shape_score: True Scoring|Scores|use_coelution_score: True Scoring|Scores|use_rt_score: True Scoring|Scores|use_library_score: True Scoring|Scores|use_intensity_score: True Scoring|Scores|use_nr_peaks_score: True Scoring|Scores|use_total_xic_score: True Scoring|Scores|use_total_mi_score: False Scoring|Scores|use_sn_score: True Scoring|Scores|use_mi_score: True Scoring|Scores|use_dia_scores: True Scoring|Scores|use_ms1_correlation: False Scoring|Scores|use_sonar_scores: False Scoring|Scores|use_ion_mobility_scores: False Scoring|Scores|use_ms1_fullscan: False Scoring|Scores|use_ms1_mi: True Scoring|Scores|use_uis_scores: False Scoring|Scores|use_ionseries_scores: True Scoring|Scores|use_ms2_isotope_scores: True adv_opts|sort_swath_maps: False adv_opts|enable_ms1: True adv_opts|enable_ipf: True adv_opts|out_chrom_type: mzML adv_opts|min_upper_edge_dist: 0.0 adv_opts|extra_rt_extraction_window: 0.0 adv_opts|mz_extraction_window_unit: ppm adv_opts|mz_extraction_window_ms1_unit: ppm adv_opts|use_ms1_ion_mobility: True adv_opts|matching_window_only: True adv_opts|irt_mz_extraction_window: 50.0 adv_opts|irt_mz_extraction_window_unit: ppm adv_opts|irt_im_extraction_window: -1.0 adv_opts|min_rsq: 0.95 adv_opts|min_coverage: 0.6 adv_opts|split_file_input: False adv_opts|use_elution_model_score: False adv_opts|readOptions: workingInMemory adv_opts|mz_correction_function: none adv_opts|extraction_function: tophat adv_opts|batchSize: 1000 adv_opts|ms1_isotopes: 3 adv_opts|force: False adv_opts|test: false OPTIONAL_OUTPUTS: ['ctd_out_FLAG', 'out_features_FLAG', 'out_chrom_FLAG'] |
name: value name: value name: value |
OpenSwathWorkflow_22_input.mzML OpenSwathWorkflow_22_input.tsv value |