Spectrum Fundamentals
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
Quickstart
Discuss usage, development and issues on GitHub.
Check the usage principles or the API.
Check the Contributor Guide if you want to participate in developing.
Consider citing the main publication, Oktoberfest.