2025/07/22 by Johannes Rainer, Marilyn De Graeve, Philippine Louail +2 · 1 voice
Biochemistry, Genetics and Molecular Biology · Computer Science · #Data Analysis with R #Metabolomics and Mass Spectrometry Studies
paper · pdf · doi:10.31219/osf.io/cwt2v_v2
openalex publication_date 2025/07/22 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/14
We present the Spectra software, an R/Bioconductor package defining an efficient infrastructure for storing, handling and visualising mass spectrometry data. We describe how Spectra adapts to different data types, sizes, and use cases,addressing scalability while keeping a consistent user interface. We also demonstrate how it can integrate with third party Python tools and follows modern tidyomics principles,seamlessly integrating with more general tidy data science tools.