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spectrum-fundamentals

Fundamental functions, annotation pipeline and constants for oktoberfest

  • 0.7.8
  • PyPI
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Spectrum Fundamentals

|PyPI| |Python Version| |License| |Read the Docs| |Build| |Tests| |Codecov| |pre-commit| |Black|

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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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