spectrum_fundamentals is a package primarily developed for usage within the rescoring and spectral library generation pipeline oktoberfest (https://github.com/wilhelm-lab/oktoberfest).
It provides the following functionalities:
- conversion between search engine-specific modstrings and the ProForma standard
- calculation of theoretical peptide / ion masses
- annotation of spectra
- spectral similarity calculation with various metrics
The official documentation can be found at https://spectrum-fundamentals.readthedocs.io
Please always cite the main publication:
[Oktoberfest] Picciani M, Gabriel W, Giurcoiu VG et al. (2023), Oktoberfest: Open-source spectral library generation and rescoring pipeline based on Prosit, Proteomics