OpenMS
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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 'PTXQC').
pot. predecessor tools | → QualityControl → | pot. successor tools |
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FeatureLinkerUnlabeledKD (or FLs; for consensusXML) | PTX-QC | |
IDMapper (for featureXMLs) | ||
InternalCalibration |
The command line parameters of this tool are:
QualityControl -- Computes various QC metrics. Many input formats are supported only the consensusXML is required. The more optional files you provide, the more metrics you get. Full documentation: http://www.openms.de/doxygen/release/3.3.0/html/TOPP_QualityControl.html Version: 3.3.0 Dec 21 2024, 15:25:20, Revision: 35c5e65 To cite OpenMS: + Pfeuffer, J., Bielow, C., Wein, S. et al.. OpenMS 3 enables reproducible analysis of large-scale mass spec trometry data. Nat Methods (2024). doi:10.1038/s41592-024-02197-7. 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_fasta <file> FASTA file used during MS/MS identification (including decoys). If the protein description contains 'GN=...' then gene names will be extracted (valid formats: 'fasta') -in_trafo <file> TrafoXMLs from MapAligners (valid formats: 'trafoXML') MS2 ID Rate settings: -MS2_id_rate:assume_all_target Forces the metric to run even if target/decoy annotation is missing (accepts all pep_ids as target hits). Write MaxQuant-compatible .txt files: -out_txt:directory <Path> If a Path is given, '.txt' files compatible with MaxQuant will be created in this directory. If the directory does not exist, it will be created. -out_txt:omit_mq_evidence Do NOT write the evidence.txt into 'out_txt:directory'? -out_txt:omit_mq_msms Do NOT write the msms.txt into 'out_txt:directory'? 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: