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Changelog

Source: NEWS.md

SpectriPy 0.5

Changes in 0.5.1

  • Add additional vignettes and update/fix documentation.

Changes in 0.5.0

  • Add support for spectrum_utils library.

SpectriPy 0.4

Changes in 0.4.0

  • Add a MsBackendPython backend referencing to MS data residing in Python.

SpectriPy 0.3

Changes in 0.3.1

  • Add filterSpectriPy() function for spectra filtering using matchms.
  • Add a new example MGF file to the package.
  • Add a new quarto vignette.

Changes in 0.3.0

  • Add changes and results introduced a the EuBIC 2025 r-python hackathon in Neustift, Italy.
  • Remove dependency from basilisk and base the package entirely on reticulate.

SpectriPy 0.2

Changes in 0.2.1

  • Add filterSpectriPy method and related parameter objects to perform spectra filtering/processing via matchms in python.

Changes in 0.2.0

  • Use matchms version 0.28.2.

SpectriPy 0.1

Changes in 0.1.1

  • Small updates and fixes in the package’s vignette.

Changes in 0.1.0

  • Add compareSpectriPy method and related parameter objects to perform spectra similarity calculations in python.

SpectriPy 0.0

Changes in 0.0.2

  • Add basilisk environment.
  • Add spectraVariableMapping.
  • Refactor functions to convert between R and python spectrum objects and add unit tests.