xcms
LC/MS and GC/MS Data Analysis
Bioconductor version: Release (2.12)
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 <csmith at scripps.edu>, Ralf Tautenhahn <rtautenh at scripps.edu>, Steffen Neumann <sneumann at ipb-halle.de>, Paul Benton <hpaul.benton08 at imperial.ac.uk>
Maintainer: Ralf Tautenhahn <rtautenh at scripps.edu>
To install this package, start R and enter:
source("http://bioconductor.org/biocLite.R")
biocLite("xcms")
To cite this package in a publication, start R and enter:
citation("xcms")
Documentation
| FlowChart.pdf | ||
| R Script | Grouping FTICR-MS data with xcms | |
| R Script | Installation Instructions for xcms | |
| R Script | LC/MS Preprocessing and Analysis with xcms | |
| R Script | Processing Tandem-MS and MS$^n$ data with xcms | |
| Reference Manual | ||
| Text | NEWS | |
| Text | LICENSE |
Details
| biocViews | MassSpectrometry, Metabolomics, Software |
| Version | 1.36.0 |
| In Bioconductor since | BioC 1.6 (R-1.11) or earlier |
| License | GPL (>= 2) |
| Depends | R (>= 2.14.0), methods, mzR(>= 1.1.6), BiocGenerics, Biobase |
| Imports | |
| Suggests | faahKO, msdata, ncdf, multtest, rgl, MassSpecWavelet(>= 1.5.2), RANN, RUnit |
| System Requirements | |
| URL | http://metlin.scripps.edu/download/ |
| Depends On Me | CAMERA, faahKO, flagme |
| Imports Me | CAMERA, Risa |
| Suggests Me | MassSpecWavelet, msdata, RforProteomics, RMassBank |
Package Downloads
| Package Source | xcms_1.36.0.tar.gz |
| Windows Binary | xcms_1.36.0.zip (32- & 64-bit) |
| Mac OS X 10.6 (Snow Leopard) | xcms_1.36.0.tgz |
| Package Downloads Report | Download Stats |
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