The MsExperiment package provides the MsExperiment class that can be used to store and manage all aspects related to a complete proteomics or metabolomics mass spectrometry experiment. This includes
- experimental design
- data files
- raw data: spectra and chromatograms
- proteomics identification results and protein database
- quantitative features
The respective data handling functionality is handled by dedicated packages such as Spectra for spectra data, QFeatures for quantitative features, Biostrings for fasta files, …
See the package homepage for more information.
This package is part of the RforMassSpectrometry initiative: https://www.rformassspectrometry.org/
Installation
The package can be installed with
install.packages("BiocManager")
BiocManager::install("MsExperiment")Contributions
Contributions are highly welcome and should follow the contribution guidelines. Also, please check the coding style guidelines in the RforMassSpectrometry vignette.