The format is based on Keep a Changelog and this project adheres to Semantic Versioning.
Initial release of nf-core/proteomicslfq, created with the nf-core template.
The initial version of the pipeline features the following steps:
- (optional) Conversion of spectra data to indexedMzML: Using ThermoRawFileParser if Thermo Raw or using OpenMS' FileConverter if just an index is missing
- (optional) Decoy database generation for the provided DB (fasta) with OpenMS
- Database search with either MSGF+ and/or Comet through OpenMS adapters
- Re-mapping potentially identified peptides to the input database for consistency and error-checking (using OpenMS' PeptideIndexer)
- PSM rescoring using PSMFeatureExtractor and Percolator or a PeptideProphet-like distribution fitting approach in OpenMS
- If multiple search engines were chosen, the results are combined with OpenMS' ConsensusID
- If multiple search engines were chosen, a combined FDR is calculated
- Single run PSM/Peptide-level FDR filtering
- If localization of modifications was requested, Luciphor2 is applied via the OpenMS adapter
- Protein inference and labelfree quantification based on spectral counting or MS1 feature detection, alignment and integration with OpenMS' ProteomicsLFQ. Performs an additional experiment-wide FDR filter on protein level (and if requested peptide/PSM level).
If you experience nextflow running forever after a failed step, try settings errorStrategy = terminate. See the corresponding nextflow issue.