Generates an mzTab file from various sources of a pipeline (mainly a ConsensusXML) which can be used for QC plots (e.g. via the R package 'PTX-QC').

pot. predecessor tools	$\longrightarrow$ QualityControl $\longrightarrow$	pot. successor tools
FeatureLinkerUnlabeledKD (or FLs; for consensusXML)		PTX-QC
IDMapper (for featureXMLs)
InternalCalibration

See Quality Control for details.

The command line parameters of this tool are:

QualityControl -- Computes various QC metrics from many possible input files (only the consensusXML is requir
ed). The more optional files you provide, the more metrics you get.
Full documentation: http://www.openms.de/documentation/TOPP_QualityControl.html
Version: 2.5.0 Feb 20 2020, 20:13:06, Revision: f649042
To cite OpenMS:
  Rost HL, Sachsenberg T, Aiche S, Bielow C et al.. OpenMS: a flexible open-source software platform for mass spectrometry data analysis. Nat Meth. 2016; 13, 9: 741-748. doi:10.1038/nmeth.3959.

Usage:
  QualityControl <options>

Options (mandatory options marked with '*'):
  -in_cm <file>*                         ConsensusXML input, generated by FeatureLinker. (valid formats: 'con
                                         sensusXML')
  -in_raw <files>                        MzML input (after InternalCalibration, if available) (valid formats:
                                         'mzML')
  -in_postFDR <files>                    FeatureXMLs after FDR filtering (valid formats: 'featureXML')
  -out <file>*                           Output mzTab with QC information (valid formats: 'mzTab')
  -out_cm <file>                         ConsensusXML with QC information (as metavalues) (valid formats: 
                                         'consensusXML')
  -out_feat <files>                      FeatureXMLs with QC information (as metavalues) (valid formats: 'fea
                                         tureXML')

Fragment Mass Error settings:
  -FragmentMassError:unit <unit>         Unit for mass tolerance. 'auto' uses information from FeatureXML 
                                         (default: 'auto' valid: 'auto', 'ppm', 'da')
  -FragmentMassError:tolerance <double>  M/z search window for matching peaks in two spectra (default: '20.0'
                                         )

  -in_contaminants <file>                Proteins considered contaminants (valid formats: 'fasta')
  -in_trafo <file>                       TrafoXMLs from MapAligners (valid formats: 'trafoXML')

MS2 ID Rate settings:
  -MS2_id_rate:force_no_fdr              Forces the metric to run if FDR is missing (accepts all pep_ids as 
                                         target hits).

                                         
Common TOPP options:
  -ini <file>                            Use the given TOPP INI file
  -threads <n>                           Sets the number of threads allowed to be used by the TOPP tool (defa
                                         ult: '1')
  -write_ini <file>                      Writes the default configuration file
  --help                                 Shows options
  --helphelp                             Shows all options (including advanced)

INI file documentation of this tool:

Legend:

required parameter

advanced parameter

+QualityControlComputes various QC metrics from many possible input files (only the consensusXML is required). The more optional files you provide, the more metrics you get.

version2.5.0 Version of the tool that generated this parameters file.

++1Instance '1' section for 'QualityControl'

in_cm ConsensusXML input, generated by FeatureLinker.input file*.consensusXML

in_raw[] MzML input (after InternalCalibration, if available)input file*.mzML

in_postFDR[] FeatureXMLs after FDR filteringinput file*.featureXML

out Output mzTab with QC informationoutput file*.mzTab

out_cm ConsensusXML with QC information (as metavalues)output file*.consensusXML

out_feat[] FeatureXMLs with QC information (as metavalues)output file*.featureXML

in_contaminants Proteins considered contaminantsinput file*.fasta

in_trafo[] trafoXMLs from MapAlignersinput file*.trafoXML

log Name of log file (created only when specified)

debug0 Sets the debug level

threads1 Sets the number of threads allowed to be used by the TOPP tool

no_progressfalse Disables progress logging to command linetrue,false

forcefalse Overwrite tool specific checks.true,false

testfalse Enables the test mode (needed for internal use only)true,false

+++FragmentMassErrorFragment Mass Error settings

unitauto Unit for mass tolerance. 'auto' uses information from FeatureXMLauto,ppm,da

tolerance20.0 m/z search window for matching peaks in two spectra

+++MS2_id_rateMS2 ID Rate settings

force_no_fdrfalse Forces the metric to run if FDR is missing (accepts all pep_ids as target hits).true,false