The Workflow4Metabolomics, W4M in short, is a French infrastructure offering software tool processing, analyzing and annotating metabolomics data. It is based on the Galaxy platform.
LC/MS and GC/MS Data Analysis
Bioconductor version: Release (3.2)
Framework for processing and visualization of chromatographically separated and single-spectra mass spectral data. Imports from AIA/ANDI NetCDF, mzXML, mzData and mzML files. Preprocesses data for high-throughput, untargeted analyte profiling.
Author: Colin A. Smith , Ralf Tautenhahn , Steffen Neumann , Paul Benton , Christopher Conley , Johannes Rainer <Johannes.Rainer at eurac.edu>
Maintainer: Steffen Neumann
Citation (from within R, enter citation("xcms")):
Smith, C.A., Want, E.J., O'Maille, G., Abagyan,R., Siuzdak and G. (2006). “XCMS: Processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching and identification.” Analytical Chemistry, 78, pp. 779–787.
Tautenhahn R, Boettcher C and Neumann S (2008). “Highly sensitive feature detection for high resolution LC/MS.” BMC Bioinformatics, 9, pp. 504.
Benton HP, Want EJ and Ebbels TMD (2010). “Correction of mass calibration gaps in liquid chromatography-mass spectrometry metabolomics data.” BIOINFORMATICS, 26, pp. 2488.
Homepage: https://bioconductor.org/packages/release/bioc/html/xcms.html
Galaxy is an open, web-based platform for data intensive biomedical research. Whether on the free public server or your own instance, you can perform, reproduce, and share complete analyses.
Homepage: https://galaxyproject.org/
- Gildas Le Corguillé @lecorguille - ABiMS / IFB - UPMC/CNRS - Station Biologique de Roscoff - France
- Misharl Monsoor @mmonsoor - ABiMS / IFB - CNRS/UPMC - Station Biologique de Roscoff - France
- Urszula Czerwinska ABiMS / IFB - CNRS/UPMC - Station Biologique de Roscoff - France
- Pierre Pericard - ABiMS / IFB - CNRS/UPMC - Station Biologique de Roscoff - France