Fundamental functions, annotation pipeline and constants for oktoberfest
Project description
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
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