Repository revision
14:0eaf3d4219cf

Repository 'openms_openswathrtnormalizer'
hg clone https://toolshed.g2.bx.psu.edu/repos/galaxyp/openms_openswathrtnormalizer

OpenSwathRTNormalizer tool metadata
Miscellaneous
This tool will take a description of RT peptides and their normalized retention time to write out a transformation file on how to transform the RT space into the normalized space
OpenSwathRTNormalizer
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_openswathrtnormalizer/OpenSwathRTNormalizer/3.1+galaxy0
3.1+galaxy0
None
True
Version lineage of this tool (guids ordered most recent to oldest)
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_openswathrtnormalizer/OpenSwathRTNormalizer/3.1+galaxy0 (this tool)
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_openswathrtnormalizer/OpenSwathRTNormalizer/2.8+galaxy0
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_openswathrtnormalizer/OpenSwathRTNormalizer/2.6+galaxy0
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_openswathrtnormalizer/OpenSwathRTNormalizer/2.5+galaxy0
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_openswathrtnormalizer/OpenSwathRTNormalizer/2.3.0
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_openswathrtnormalizer/OpenSwathRTNormalizer/2.2.0
toolshed.g2.bx.psu.edu/repos/galaxyp/openms_openswathrtnormalizer/OpenSwathRTNormalizer/2.1.0
OpenSwathRTNormalizer
Requirements (dependencies defined in the <requirements> tag set)
name version type
openms 3.1 package
openms-thirdparty 3.1 package
blast 2.14.1 package
ctdopts 1.5 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': 'xsd', 'zip': 'zip'}
    #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', 'xsd': 'xsd', 'zip': 'zip'}
    #return m[g]
#end def

#import re

## Preprocessing
mkdir in_cond.in &&
#if $in_cond.in_select == "no"
mkdir ${' '.join(["'in_cond.in/%s'" % (i) for i, f in enumerate($in_cond.in) if f])} && 
${' '.join(["cp '%s' 'in_cond.in/%s/%s.%s' && " % (f, i, re.sub('[^\w\-_]', '_', f.element_identifier), $gxy2omsext(f.ext)) for i, f in enumerate($in_cond.in) if f])}
#else
cp '$in_cond.in' 'in_cond.in/${re.sub("[^\w\-_]", "_", $in_cond.in.element_identifier)}.$gxy2omsext($in_cond.in.ext)' &&
#end if
mkdir tr &&
cp '$tr' 'tr/${re.sub("[^\w\-_]", "_", $tr.element_identifier)}.$gxy2omsext($tr.ext)' &&
mkdir out &&
#if $rt_norm:
  mkdir rt_norm &&
  cp '$rt_norm' 'rt_norm/${re.sub("[^\w\-_]", "_", $rt_norm.element_identifier)}.$gxy2omsext($rt_norm.ext)' &&
#end if

## Main program call

set -o pipefail &&
OpenSwathRTNormalizer -write_ctd ./ &&
python3 '$__tool_directory__/fill_ctd.py' 'OpenSwathRTNormalizer.ctd' '$args_json' '$hardcoded_json' &&
OpenSwathRTNormalizer -ini OpenSwathRTNormalizer.ctd
-in
#if $in_cond.in_select == "no"
${' '.join(["'in_cond.in/%s/%s.%s'"%(i, re.sub('[^\w\-_]', '_', f.element_identifier), $gxy2omsext(f.ext)) for i, f in enumerate($in_cond.in) if f])}
#else
'in_cond.in/${re.sub("[^\w\-_]", "_", $in_cond.in.element_identifier)}.$gxy2omsext($in_cond.in.ext)'
#end if
-tr
'tr/${re.sub("[^\w\-_]", "_", $tr.element_identifier)}.$gxy2omsext($tr.ext)'
-out
'out/output.${gxy2omsext("trafoxml")}'
#if $rt_norm:
  -rt_norm
  'rt_norm/${re.sub("[^\w\-_]", "_", $rt_norm.element_identifier)}.$gxy2omsext($rt_norm.ext)'
#end if

## Postprocessing
&& mv 'out/output.${gxy2omsext("trafoxml")}' '$out'
#if "ctd_out_FLAG" in $OPTIONAL_OUTPUTS
  && mv 'OpenSwathRTNormalizer.ctd' '$ctd_out'
#end if
None
False
Functional tests
name inputs outputs required files
Test-1 in_cond|in: OpenSwathRTNormalizer_1_input.mzML
tr: OpenSwathRTNormalizer_1_input.TraML
min_rsq: 0.95
min_coverage: 0.6
estimateBestPeptides: False
RTNormalization|outlierMethod: iter_residual
RTNormalization|useIterativeChauvenet: False
RTNormalization|RANSACMaxIterations: 1000
RTNormalization|RANSACMaxPercentRTThreshold: 3
RTNormalization|RANSACSamplingSize: 10
algorithm|stop_report_after_feature: -1
algorithm|rt_extraction_window: -1.0
algorithm|rt_normalization_factor: 1.0
algorithm|quantification_cutoff: 0.0
algorithm|write_convex_hull: False
algorithm|spectrum_addition_method: simple
algorithm|add_up_spectra: 1
algorithm|spacing_for_spectra_resampling: 0.005
algorithm|uis_threshold_sn: -1
algorithm|uis_threshold_peak_area: 0
algorithm|scoring_model: default
algorithm|im_extra_drift: 0.0
algorithm|strict: True
algorithm|TransitionGroupPicker|stop_after_feature: -1
algorithm|TransitionGroupPicker|stop_after_intensity_ratio: 0.0001
algorithm|TransitionGroupPicker|min_peak_width: 0.001
algorithm|TransitionGroupPicker|peak_integration: original
algorithm|TransitionGroupPicker|background_subtraction: none
algorithm|TransitionGroupPicker|recalculate_peaks: False
algorithm|TransitionGroupPicker|use_precursors: False
algorithm|TransitionGroupPicker|use_consensus: True
algorithm|TransitionGroupPicker|recalculate_peaks_max_z: 1.0
algorithm|TransitionGroupPicker|minimal_quality: -10000.0
algorithm|TransitionGroupPicker|resample_boundary: 15.0
algorithm|TransitionGroupPicker|compute_peak_quality: False
algorithm|TransitionGroupPicker|compute_peak_shape_metrics: False
algorithm|TransitionGroupPicker|compute_total_mi: False
algorithm|TransitionGroupPicker|boundary_selection_method: largest
algorithm|TransitionGroupPicker|PeakPickerMRM|sgolay_frame_length: 15
algorithm|TransitionGroupPicker|PeakPickerMRM|sgolay_polynomial_order: 3
algorithm|TransitionGroupPicker|PeakPickerMRM|gauss_width: 50.0
algorithm|TransitionGroupPicker|PeakPickerMRM|use_gauss: True
algorithm|TransitionGroupPicker|PeakPickerMRM|peak_width: -1.0
algorithm|TransitionGroupPicker|PeakPickerMRM|signal_to_noise: 1.0
algorithm|TransitionGroupPicker|PeakPickerMRM|sn_win_len: 1000.0
algorithm|TransitionGroupPicker|PeakPickerMRM|sn_bin_count: 30
algorithm|TransitionGroupPicker|PeakPickerMRM|write_sn_log_messages: False
algorithm|TransitionGroupPicker|PeakPickerMRM|remove_overlapping_peaks: False
algorithm|TransitionGroupPicker|PeakPickerMRM|method: corrected
algorithm|TransitionGroupPicker|PeakIntegrator|integration_type: intensity_sum
algorithm|TransitionGroupPicker|PeakIntegrator|baseline_type: base_to_base
algorithm|TransitionGroupPicker|PeakIntegrator|fit_EMG: False
algorithm|DIAScoring|dia_extraction_window: 0.05
algorithm|DIAScoring|dia_extraction_unit: Th
algorithm|DIAScoring|dia_centroided: False
algorithm|DIAScoring|dia_byseries_intensity_min: 300.0
algorithm|DIAScoring|dia_byseries_ppm_diff: 10.0
algorithm|DIAScoring|dia_nr_isotopes: 4
algorithm|DIAScoring|dia_nr_charges: 4
algorithm|DIAScoring|peak_before_mono_max_ppm_diff: 20.0
algorithm|EMGScoring|interpolation_step: 0.2
algorithm|EMGScoring|tolerance_stdev_bounding_box: 3.0
algorithm|EMGScoring|max_iteration: 500
algorithm|EMGScoring|init_mom: False
algorithm|EMGScoring|statistics|mean: 1.0
algorithm|EMGScoring|statistics|variance: 1.0
algorithm|Scores|use_shape_score: True
algorithm|Scores|use_coelution_score: True
algorithm|Scores|use_rt_score: True
algorithm|Scores|use_library_score: True
algorithm|Scores|use_elution_model_score: True
algorithm|Scores|use_intensity_score: True
algorithm|Scores|use_nr_peaks_score: True
algorithm|Scores|use_total_xic_score: True
algorithm|Scores|use_total_mi_score: False
algorithm|Scores|use_sn_score: True
algorithm|Scores|use_mi_score: False
algorithm|Scores|use_dia_scores: True
algorithm|Scores|use_ms1_correlation: False
algorithm|Scores|use_sonar_scores: False
algorithm|Scores|use_ion_mobility_scores: False
algorithm|Scores|use_ms1_fullscan: False
algorithm|Scores|use_ms1_mi: False
algorithm|Scores|use_uis_scores: False
algorithm|Scores|use_ionseries_scores: True
algorithm|Scores|use_ms2_isotope_scores: True
peptideEstimation|InitialQualityCutoff: 0.5
peptideEstimation|OverallQualityCutoff: 5.5
peptideEstimation|NrRTBins: 10
peptideEstimation|MinPeptidesPerBin: 1
peptideEstimation|MinBinsFilled: 8
adv_opts|force: False
adv_opts|test: true
OPTIONAL_OUTPUTS: ctd_out_FLAG
name: value
name: value
OpenSwathRTNormalizer_1_input.mzML
OpenSwathRTNormalizer_1_input.TraML
value
Test-2 in_cond|in: OpenSwathRTNormalizer_1_input.mzML
tr: OpenSwathRTNormalizer_1_input.TraML
min_rsq: 0.95
min_coverage: 0.6
estimateBestPeptides: True
RTNormalization|outlierMethod: iter_residual
RTNormalization|useIterativeChauvenet: False
RTNormalization|RANSACMaxIterations: 1000
RTNormalization|RANSACMaxPercentRTThreshold: 3
RTNormalization|RANSACSamplingSize: 10
algorithm|stop_report_after_feature: -1
algorithm|rt_extraction_window: -1.0
algorithm|rt_normalization_factor: 1.0
algorithm|quantification_cutoff: 0.0
algorithm|write_convex_hull: False
algorithm|spectrum_addition_method: simple
algorithm|add_up_spectra: 1
algorithm|spacing_for_spectra_resampling: 0.005
algorithm|uis_threshold_sn: -1
algorithm|uis_threshold_peak_area: 0
algorithm|scoring_model: default
algorithm|im_extra_drift: 0.0
algorithm|strict: True
algorithm|TransitionGroupPicker|stop_after_feature: -1
algorithm|TransitionGroupPicker|stop_after_intensity_ratio: 0.0001
algorithm|TransitionGroupPicker|min_peak_width: 0.001
algorithm|TransitionGroupPicker|peak_integration: original
algorithm|TransitionGroupPicker|background_subtraction: none
algorithm|TransitionGroupPicker|recalculate_peaks: False
algorithm|TransitionGroupPicker|use_precursors: False
algorithm|TransitionGroupPicker|use_consensus: True
algorithm|TransitionGroupPicker|recalculate_peaks_max_z: 1.0
algorithm|TransitionGroupPicker|minimal_quality: -10000.0
algorithm|TransitionGroupPicker|resample_boundary: 15.0
algorithm|TransitionGroupPicker|compute_peak_quality: False
algorithm|TransitionGroupPicker|compute_peak_shape_metrics: False
algorithm|TransitionGroupPicker|compute_total_mi: False
algorithm|TransitionGroupPicker|boundary_selection_method: largest
algorithm|TransitionGroupPicker|PeakPickerMRM|sgolay_frame_length: 15
algorithm|TransitionGroupPicker|PeakPickerMRM|sgolay_polynomial_order: 3
algorithm|TransitionGroupPicker|PeakPickerMRM|gauss_width: 50.0
algorithm|TransitionGroupPicker|PeakPickerMRM|use_gauss: True
algorithm|TransitionGroupPicker|PeakPickerMRM|peak_width: -1.0
algorithm|TransitionGroupPicker|PeakPickerMRM|signal_to_noise: 1.0
algorithm|TransitionGroupPicker|PeakPickerMRM|sn_win_len: 1000.0
algorithm|TransitionGroupPicker|PeakPickerMRM|sn_bin_count: 30
algorithm|TransitionGroupPicker|PeakPickerMRM|write_sn_log_messages: False
algorithm|TransitionGroupPicker|PeakPickerMRM|remove_overlapping_peaks: False
algorithm|TransitionGroupPicker|PeakPickerMRM|method: corrected
algorithm|TransitionGroupPicker|PeakIntegrator|integration_type: intensity_sum
algorithm|TransitionGroupPicker|PeakIntegrator|baseline_type: base_to_base
algorithm|TransitionGroupPicker|PeakIntegrator|fit_EMG: False
algorithm|DIAScoring|dia_extraction_window: 0.05
algorithm|DIAScoring|dia_extraction_unit: Th
algorithm|DIAScoring|dia_centroided: False
algorithm|DIAScoring|dia_byseries_intensity_min: 300.0
algorithm|DIAScoring|dia_byseries_ppm_diff: 10.0
algorithm|DIAScoring|dia_nr_isotopes: 4
algorithm|DIAScoring|dia_nr_charges: 4
algorithm|DIAScoring|peak_before_mono_max_ppm_diff: 20.0
algorithm|EMGScoring|interpolation_step: 0.2
algorithm|EMGScoring|tolerance_stdev_bounding_box: 3.0
algorithm|EMGScoring|max_iteration: 500
algorithm|EMGScoring|init_mom: False
algorithm|EMGScoring|statistics|mean: 1.0
algorithm|EMGScoring|statistics|variance: 1.0
algorithm|Scores|use_shape_score: True
algorithm|Scores|use_coelution_score: True
algorithm|Scores|use_rt_score: True
algorithm|Scores|use_library_score: True
algorithm|Scores|use_elution_model_score: True
algorithm|Scores|use_intensity_score: True
algorithm|Scores|use_nr_peaks_score: True
algorithm|Scores|use_total_xic_score: True
algorithm|Scores|use_total_mi_score: False
algorithm|Scores|use_sn_score: True
algorithm|Scores|use_mi_score: False
algorithm|Scores|use_dia_scores: True
algorithm|Scores|use_ms1_correlation: False
algorithm|Scores|use_sonar_scores: False
algorithm|Scores|use_ion_mobility_scores: False
algorithm|Scores|use_ms1_fullscan: False
algorithm|Scores|use_ms1_mi: False
algorithm|Scores|use_uis_scores: False
algorithm|Scores|use_ionseries_scores: True
algorithm|Scores|use_ms2_isotope_scores: True
peptideEstimation|InitialQualityCutoff: 0.5
peptideEstimation|OverallQualityCutoff: 5.5
peptideEstimation|NrRTBins: 3
peptideEstimation|MinPeptidesPerBin: 1
peptideEstimation|MinBinsFilled: 3
adv_opts|force: False
adv_opts|test: true
OPTIONAL_OUTPUTS: ctd_out_FLAG
name: value
name: value
OpenSwathRTNormalizer_1_input.mzML
OpenSwathRTNormalizer_1_input.TraML
value
Test-3 in_cond|in: OpenSwathRTNormalizer_1_input.mzML
tr: OpenSwathRTNormalizer_1_input.TraML
min_rsq: 0.95
min_coverage: 0.6
estimateBestPeptides: False
RTNormalization|outlierMethod: iter_residual
RTNormalization|useIterativeChauvenet: False
RTNormalization|RANSACMaxIterations: 1000
RTNormalization|RANSACMaxPercentRTThreshold: 3
RTNormalization|RANSACSamplingSize: 10
algorithm|stop_report_after_feature: -1
algorithm|rt_extraction_window: -1.0
algorithm|rt_normalization_factor: 1.0
algorithm|quantification_cutoff: 0.0
algorithm|write_convex_hull: False
algorithm|spectrum_addition_method: simple
algorithm|add_up_spectra: 1
algorithm|spacing_for_spectra_resampling: 0.005
algorithm|uis_threshold_sn: -1
algorithm|uis_threshold_peak_area: 0
algorithm|scoring_model: default
algorithm|im_extra_drift: 0.0
algorithm|strict: True
algorithm|TransitionGroupPicker|stop_after_feature: -1
algorithm|TransitionGroupPicker|stop_after_intensity_ratio: 0.0001
algorithm|TransitionGroupPicker|min_peak_width: 0.001
algorithm|TransitionGroupPicker|peak_integration: original
algorithm|TransitionGroupPicker|background_subtraction: none
algorithm|TransitionGroupPicker|recalculate_peaks: False
algorithm|TransitionGroupPicker|use_precursors: False
algorithm|TransitionGroupPicker|use_consensus: True
algorithm|TransitionGroupPicker|recalculate_peaks_max_z: 1.0
algorithm|TransitionGroupPicker|minimal_quality: -10000.0
algorithm|TransitionGroupPicker|resample_boundary: 15.0
algorithm|TransitionGroupPicker|compute_peak_quality: False
algorithm|TransitionGroupPicker|compute_peak_shape_metrics: False
algorithm|TransitionGroupPicker|compute_total_mi: False
algorithm|TransitionGroupPicker|boundary_selection_method: largest
algorithm|TransitionGroupPicker|PeakPickerMRM|sgolay_frame_length: 15
algorithm|TransitionGroupPicker|PeakPickerMRM|sgolay_polynomial_order: 3
algorithm|TransitionGroupPicker|PeakPickerMRM|gauss_width: 50.0
algorithm|TransitionGroupPicker|PeakPickerMRM|use_gauss: True
algorithm|TransitionGroupPicker|PeakPickerMRM|peak_width: -1.0
algorithm|TransitionGroupPicker|PeakPickerMRM|signal_to_noise: 1.0
algorithm|TransitionGroupPicker|PeakPickerMRM|sn_win_len: 1000.0
algorithm|TransitionGroupPicker|PeakPickerMRM|sn_bin_count: 30
algorithm|TransitionGroupPicker|PeakPickerMRM|write_sn_log_messages: False
algorithm|TransitionGroupPicker|PeakPickerMRM|remove_overlapping_peaks: False
algorithm|TransitionGroupPicker|PeakPickerMRM|method: corrected
algorithm|TransitionGroupPicker|PeakIntegrator|integration_type: intensity_sum
algorithm|TransitionGroupPicker|PeakIntegrator|baseline_type: base_to_base
algorithm|TransitionGroupPicker|PeakIntegrator|fit_EMG: False
algorithm|DIAScoring|dia_extraction_window: 0.05
algorithm|DIAScoring|dia_extraction_unit: Th
algorithm|DIAScoring|dia_centroided: False
algorithm|DIAScoring|dia_byseries_intensity_min: 300.0
algorithm|DIAScoring|dia_byseries_ppm_diff: 10.0
algorithm|DIAScoring|dia_nr_isotopes: 4
algorithm|DIAScoring|dia_nr_charges: 4
algorithm|DIAScoring|peak_before_mono_max_ppm_diff: 20.0
algorithm|EMGScoring|interpolation_step: 0.2
algorithm|EMGScoring|tolerance_stdev_bounding_box: 3.0
algorithm|EMGScoring|max_iteration: 500
algorithm|EMGScoring|init_mom: False
algorithm|EMGScoring|statistics|mean: 1.0
algorithm|EMGScoring|statistics|variance: 1.0
algorithm|Scores|use_shape_score: True
algorithm|Scores|use_coelution_score: True
algorithm|Scores|use_rt_score: True
algorithm|Scores|use_library_score: True
algorithm|Scores|use_elution_model_score: True
algorithm|Scores|use_intensity_score: True
algorithm|Scores|use_nr_peaks_score: True
algorithm|Scores|use_total_xic_score: True
algorithm|Scores|use_total_mi_score: False
algorithm|Scores|use_sn_score: True
algorithm|Scores|use_mi_score: False
algorithm|Scores|use_dia_scores: True
algorithm|Scores|use_ms1_correlation: False
algorithm|Scores|use_sonar_scores: False
algorithm|Scores|use_ion_mobility_scores: False
algorithm|Scores|use_ms1_fullscan: False
algorithm|Scores|use_ms1_mi: False
algorithm|Scores|use_uis_scores: False
algorithm|Scores|use_ionseries_scores: True
algorithm|Scores|use_ms2_isotope_scores: True
peptideEstimation|InitialQualityCutoff: 0.5
peptideEstimation|OverallQualityCutoff: 5.5
peptideEstimation|NrRTBins: 10
peptideEstimation|MinPeptidesPerBin: 1
peptideEstimation|MinBinsFilled: 8
adv_opts|force: False
adv_opts|test: true
OPTIONAL_OUTPUTS: ctd_out_FLAG
name: value
name: value
OpenSwathRTNormalizer_1_input.mzML
OpenSwathRTNormalizer_1_input.TraML
value