------------------------------------------------------------------------------------------ OpenMS 2.5 ships exciting new tools and improvements. General: - support for RNA mass spectrometry - TMT16plex support for IsobaricAnalyzer (see PR #4295) - improved MsStats/MsStatsTMT output support (see PR #4181, #4207) - extended MaxQuant-compatible mzXML support (via FileConverter) (see PR #4432, #4423) - QualityControl Workflow (all in the QC folder) - OpenMS and pyOpenMS support for oligonucleotides - OpenSWATH support for ion mobility extraction and scoring - OpenSWATH support for metabolite assay library building through SIRIUS (and metabolite extraction and scoring) - OpenSWATH support for PRM - TOPPAS improvements (see PR #4100, #4121, #4266, #4497) - fixes to PeptideIndexer for X!Tandem special cutting rules and ambiguous amino acids (see PR #4356) - support for HDF5 - support for hyperfine isotopic distributions (through IsoSpec) - JSON support (see PR #3786) - speed improvements (loading/storing files, handling peptide sequences) - support for VS2019 and GCC 9.1 (see PR #4211) - support for outlier removal in IDPosteriorErrorProbability - reduced memory footprint of FeatureFinderIdentification through batch processing New Tools: - Epifany -- Runs a Bayesian protein inference (UTIL) - FeatureFinderMetaboIdent -- Detects features in MS1 data based on metabolite identifications (UTIL) - GNPSExport -- Tool to export consensus features into MGF format (TOPP) - NucleicAcidSearchEngine -- Annotate nucleic acid identifications to MS/MS spectra (UTIL) - ProteomicsLFQ -- A standard proteomics LFQ pipeline (TOPP) (experimental) - QualityControl -- Computes various QC metrics from many possible input files (only the consensusXML is required). The more optional files you provide, the more metrics you get (TOPP) - RNAMassCalculator -- Calculates masses and mass-to-charge ratios of RNA sequences (UTIL) - MapAlignerTreeGuided -- Aligns maps through hierarchical clustering based on distances computed between shared IDs. Deprecated and removed Tools: Changed Tools: - OpenPepXL and OpenPepXLLF runtime and memory efficiency improved by orders of magnitude - IDFilter can now filter by using all MetaValues available in the ID files - ImageCreator uses updated gradients and has gained RT and m/z filtering options (PR #4188) Status changed: - OpenPepXL (UTIL -> TOPP) - OpenPepXLLF (UTIL -> TOPP) - XFDR (UTIL -> TOPP) ------------------------------------------------------------------------------------------