xcms

This package is for version 3.7 of Bioconductor; for the stable, up-to-date release version, see xcms.

LC/MS and GC/MS Data Analysis


Bioconductor version: 3.7

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>

Citation (from within R, enter citation("xcms")):

Installation

To install this package, start R (version "3.5") and enter:


if (!require("BiocManager", quietly = TRUE))
    install.packages("BiocManager")

BiocManager::install("xcms")

For older versions of R, please refer to the appropriate Bioconductor release.

Documentation

To view documentation for the version of this package installed in your system, start R and enter:

browseVignettes("xcms")
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 HTML R Script
Reference Manual PDF
NEWS Text
LICENSE Text

Details

biocViews MassSpectrometry, Metabolomics, Software
Version 3.2.0
In Bioconductor since BioC 1.6 (R-2.1) or earlier (> 19 years)
License GPL (>= 2) + file LICENSE
Depends R (>= 2.14.0), methods, Biobase, BiocParallel(>= 1.8.0), MSnbase(>= 2.5.10)
Imports mzR(>= 2.13.1), BiocGenerics, ProtGenerics, lattice, RColorBrewer, plyr, RANN, multtest, MassSpecWavelet(>= 1.5.2), S4Vectors
System Requirements
URL http://metlin.scripps.edu/download/ and https://github.com/sneumann/xcms
Bug Reports https://github.com/sneumann/xcms/issues/new
See More
Suggests BiocStyle, caTools, knitr (>= 1.1.0), faahKO, msdata, ncdf4, rgl, microbenchmark, testthat, pander, magrittr
Linking To
Enhances Rgraphviz, Rmpi, XML, robustbase
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
Links To Me
Build Report Build Report

Package Archives

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

Source Package xcms_3.2.0.tar.gz
Windows Binary xcms_3.2.0.zip (32- & 64-bit)
Mac OS X 10.11 (El Capitan) xcms_3.2.0.tgz
Source Repository git clone https://git.bioconductor.org/packages/xcms
Source Repository (Developer Access) git clone git@git.bioconductor.org:packages/xcms
Package Short Url https://bioconductor.org/packages/xcms/
Package Downloads Report Download Stats
Old Source Packages for BioC 3.7 Source Archive