Version: 1.50.1
XCMS is a framework for processing and visualization of chromatographically separated and single-spectra mass spectral data.
XCMS is a 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.
The package also includes some R-scripts that realize various functions in the PhenoMeNal Galaxy:
- show-chromatogram: show a chromatogram of a single mzML file
- Processing LC/MS and GC/MS data
- Metabolomics / Untargeted
- MS / LC-MS
- MS / GC-MS
- Colin A. Smith
- Ralf Tautenhahn
- Steffen Neumann
- Paul Benton
- Christopher Conley
- Johannes Rainer
- Kristian Peters (IPB-Halle)
- Benton HP, Wong DM, Trauger SA, Siuzdak G: XCMS2: Processing Tandem Mass Spectrometry Data for Metabolite Identification and Structural Characterization. Anal Chem 80(16):6382-6389. doi:10.1021/ac800795f.