This repository provides a backend for Spectra objects that represents and retrieves mass spectrometry (MS) data directly from data sets deposited at the public Metabolomics Workbench repository. Mass spectrometry data files of a data set are downloaded and cached locally using the BiocFileCache package to avoid repeated download.

Installation

The package can be installed with

install.packages("BiocManager")
BiocManager::install("MsBackendMetabolomicsWorkbench")

Contributions

Contributions are highly welcome and should follow the contribution guidelines. Also, please check the coding style guidelines in the RforMassSpectrometry vignette.

License

This package is licensed under the GPL 3.0 License: 📄 https://opensource.org/license/gpl-3.0

Documentation (manuals, vignettes) is licensed under CC BY-NC-SA 4.0: 📄 https://creativecommons.org/licenses/by-nc-sa/4.0/

Funding information

This work was co-funded by MetaRbolomics4Galaxy project (CUP: D53C25001030003) financed by Autonomous Province of Bolzano under the framework of the Joint Projects South Tyrol–Germany 2025 funding program.