Tutorial Workflows OpenMS 3.0
This directory contains 19 workflows.
basic_peptide_identification
This workflow performs a basic peptide identification search. The mzML files are searched with X!Tandem against a protein database. The results are […]
basic_peptide_identification_with_inference
This workflow performs a basic peptide identification search, infers proteins and computes abundances using spectral counting. The mzML files are searched […]
DIAMetAlyzer_2.0
Uses Decoy generation from DDA data, targeted DIA analysis using OpenSWATH and pyprophet for statistical validation. Example input data: To download the […]
Identification_quantification_with_inference_isobaric_epifany_MSstatsTMT
## Description OpenMS exam workflow for the analysis of isobaric data (e.g. TMT). A) Quantification via the IsobaricAnalzyer B) Score estimation and […]
labelfree_with_protein_quantification
Identification with X!Tandem in the ID meta node, Protein Inference with Fido and protein quantification based on feature intensities with […]
Metabolite_Adduct_Grouping
Uses accurate mass based on multiple adduct grouping steps (adducts, neutral losses). Example input data: To download the data from the archive linked […]
Metabolite_DeNovoID
Uses adduct grouping and de-novo identification with SIRIUS/CSI:FingerID. Example input data: To download the data from the archive linked below, check […]
Metabolite_ID
Quantification and identification via accurate mass search with downstream processing and visualisation. Example input data: To download the data from […]
Metabolite_SpectralID
Identification of small molecules via spectral library search using MetaboliteSpectralMatcher. Example input data: To download the data from the archive […]
MSstats_statPostProcessing_iPRG2015
Uses MSstatsConverter to make tables that are processed in short R code scripts in various nodes. A consensusXML file from an LFQ workflow is required as […]