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Spectrum Fundamentals

PyPI Python Version License Read the documentation at https://spectrum-fundamentals.readthedocs.io/ CI Status Codecov pre-commit Ruff

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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Release files for spectrum-fundamentals 1.0.0

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Source distribution for spectrum-fundamentals 1.0.0
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1.0.0 This release

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0.10.0

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