The open-source framework for Mass Spectrometry
Latest News - OpenMS developers meeting 27-31 March 2023 on Kaprije island, Croatia

What is OpenMS ?

OpenMS offers an open-source C++ library (+ Python bindings) for LC/MS data management, analysis and visualization. It empowers rapid development of mass spectrometry related software. OpenMS is freely available under the three clause BSD license and runs under Windows, macOS and Linux. The OpenMS members have a strong commitment to creating an open, inclusive, and positive community. Please read the OpenMS Code of Conduct for guidance on how to interact with others in a way that makes the community thrive.

Proteomics
Almost 200 ready-made and customisable tools for analysing your proteomics data. Combined in flexible workflows they provide solutions to a broad range of problems arising in proteomics labs.
Metabolomics
OpenMS provides a wide range of customisable tools, specifically designed for all steps in the analysis of your targeted and untargeted metabolomics data.
Workflows
Every tool that is developed within OpenMS is available on flexible, scalable and easy-to-use workflow engines (such as KNIME, Galaxy, and nextflow) facilitating reproducible science.

OpenMS allows users to:

Description

Run existing workflows

Run existing workflows for proteomics and metabolomics with OpenMS in KNIME.

Create workflows

Modify and create your own OpenMS workflows in KNIME.

Description
Description

Execute python bindings 🐍

Enhance workflows with pyOpenMS scripts or develop novel methods using pyOpenMS


Advanced users can use OpenMS to:

Create high-performance tools

Develop high-performance tools or algorithms with the C++ OpenMS library

$ 

Progress of 'loading spectra list':
-- done [took 0.19 s (CPU), 0.19 s (Wall)] --

Memory usage (loading MS data): 25 MB (working set delta), 25 MB (peak working set delta)

-- General information --

File name: example.mzML
File type: mzML

Instrument: LTQ Orbitrap XL
  Mass Analyzer: Orbitrap (resolution: 0)

MS levels: 1, 2
Total number of peaks: 479455
Number of spectra: 1684

Ranges:
  retention time: 1501.41 .. 2499.52 sec (16.6 min)
  mass-to-charge: 85.81 .. 799.95
  intensity: 0.67 .. 11977811.00

Number of spectra per MS level:
  level 1: 564
  level 2: 1120

Peak type from metadata (or estimated from data)
  level 1: Centroid (Centroid)
  level 2: Centroid (Centroid)

Activation methods
  MS-Level 2 & CID (Collision-induced dissociation): 1120

Precursor charge distribution:
  charge 2: 679x
  charge 3: 399x
  charge 4: 33x
  charge 5: 8x
  charge 6: 1x

FileInfo took 0.26 s (wall), 0.26 s (CPU), 0.01 s (system), 0.25 s (user); Peak Memory Usage: 59 MB.
Description

Analyze large datasets

Run workflows on very large datasets on powerful compute infrastructure


Quick facts for Users...