xcms

DOI: 10.18129/B9.bioc.xcms    

LC/MS and GC/MS Data Analysis

Bioconductor version: Release (3.6)

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 gmail.com>, Steffen Neumann <sneumann at ipb-halle.de>, Paul Benton <hpbenton at scripps.edu>, Christopher Conley <cjconley at ucdavis.edu>, Johannes Rainer <Johannes.Rainer at eurac.edu>

Maintainer: Steffen Neumann <sneumann at ipb-halle.de>

Installation

To install this package, start R and enter:

## try http:// if https:// URLs are not supported
source("https://bioconductor.org/biocLite.R")
biocLite("xcms")

Documentation

HTML	R Script	Grouping FTICR-MS data with xcms
HTML	R Script	LCMS data preprocessing and analysis with xcms
HTML	R Script	New and modified functionality in xcms
HTML	R Script	Processing Tandem-MS and MSn data with xcms
PDF		Reference Manual
Text		NEWS
Text		LICENSE

Details

biocViews	MassSpectrometry, Metabolomics, Software
Version	3.0.2
In Bioconductor since	BioC 1.6 (R-2.1) or earlier (> 13 years)
License	GPL (>= 2) + file LICENSE
Depends	R (>= 2.14.0), methods, Biobase, BiocParallel(>= 1.8.0), MSnbase(>= 2.3.11)
Imports	mzR(>= 1.1.6), BiocGenerics, ProtGenerics, lattice, RColorBrewer, plyr, RANN, multtest, MassSpecWavelet(>= 1.5.2), S4Vectors
LinkingTo
Suggests	BiocStyle, knitr (>= 1.1.0), faahKO, msdata, ncdf4, rgl, microbenchmark, RUnit, pander
SystemRequirements
Enhances	Rgraphviz, Rmpi, XML
URL	http://metlin.scripps.edu/download/ and https://github.com/sneumann/xcms
BugReports	https://github.com/sneumann/xcms/issues/new
Depends On Me	CAMERA, faahKO, flagme, IPO, LOBSTAHS, Metab, metaMS, proFIA, PtH2O2lipids
Imports Me	CAMERA, cosmiq, MAIT, Risa
Suggests Me	MassSpecWavelet, msdata, msPurity, mtbls2, RforProteomics, RMassBank, ropls
Build Report

Package Archives

Follow Installation instructions to use this package in your R session.

Source Package	xcms_3.0.2.tar.gz
Windows Binary	xcms_3.0.2.zip (32- & 64-bit)
Mac OS X 10.11 (El Capitan)	xcms_3.0.2.tgz
Source Repository	git clone https://git.bioconductor.org/packages/xcms
Package Short Url	http://bioconductor.org/packages/xcms/
Package Downloads Report	Download Stats
Old Source Packages for BioC 3.6	Source Archive