xcms: LC-MS and GC-MS Data Analysis

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.

Grouping FTICR-MS data with xcms LCMS data preprocessing and analysis with xcms LC-MS/MS data analysis with xcms

Vignettes Man pages API and functions Files

Package details
Author	Colin A. Smith <csmith@scripps.edu>, Ralf Tautenhahn <rtautenh@gmail.com>, Steffen Neumann <sneumann@ipb-halle.de>, Paul Benton <hpbenton@scripps.edu>, Christopher Conley <cjconley@ucdavis.edu>, Johannes Rainer <Johannes.Rainer@eurac.edu>, Michael Witting <michael.witting@helmholtz-muenchen.de>
Bioconductor views	ImmunoOncology MassSpectrometry Metabolomics
Maintainer	Steffen Neumann <sneumann@ipb-halle.de>
License	GPL (>= 2) + file LICENSE
Version	3.12.0
URL	https://github.com/sneumann/xcms
Package repository	View on Bioconductor
Installation	Install the latest version of this package by entering the following in R: `if (!requireNamespace("BiocManager", quietly = TRUE)) install.packages("BiocManager") BiocManager::install("xcms")`