Package: SpectriPy 0.2.1

Johannes Rainer

SpectriPy: Integrating Spectra with Python's matchms

The SpectriPy package allows integration of Python-based MS analysis code with the Spectra package. Spectra objects can be converted into Python's matchms Spectrum objects. In addition, SpectriPy integrates and wraps the similarity scoring and processing/filtering functions from the matchms package into R.

Authors:Michael Witting [aut], Johannes Rainer [aut, cre], Carolin Huber [aut], Helge Hecht [aut], Marilyn De Graeve [ctb], Thomas Naake [ctb], Victor Chrone [ctb], Matthias Anagho-Mattanovich [ctb]

SpectriPy_0.2.1.tar.gz
SpectriPy_0.2.1.zip(r-4.5)SpectriPy_0.2.1.zip(r-4.4)
SpectriPy_0.2.1.tgz(r-4.5-any)SpectriPy_0.2.1.tgz(r-4.4-any)SpectriPy_0.2.0.tgz(r-4.3-any)
SpectriPy_0.2.1.tar.gz(r-4.5-noble)SpectriPy_0.2.1.tar.gz(r-4.4-noble)
SpectriPy_0.2.1.tgz(r-4.4-emscripten)SpectriPy_0.2.1.tgz(r-4.3-emscripten)
SpectriPy.pdf |SpectriPy.html✨
SpectriPy/json (API)
NEWS

# Install 'SpectriPy' in R:
install.packages('SpectriPy', repos = c('https://rformassspectrometry.r-universe.dev', 'https://cloud.r-project.org'))

Bug tracker:https://github.com/rformassspectrometry/spectripy/issues

On CRAN:

infrastructuremetabolomicsmassspectrometrymass-spectrometrypython

5.25 score 8 stars 5 scripts 13 exports 37 dependencies

Last updated 14 days agofrom:567ca48e50. Checks:1 OK, 5 NOTE, 1 FAILURE. Indexed: yes.

TargetResultLatest binary
Doc / VignettesOKFeb 06 2025
R-4.5-winNOTEFeb 06 2025
R-4.5-macNOTEFeb 06 2025
R-4.5-linuxNOTEFeb 06 2025
R-4.4-winNOTEFeb 06 2025
R-4.4-macNOTEFeb 06 2025
R-4.3-macOUTDATEDDec 14 2024

Exports:compareSpectriPyCosineGreedyParamCosineHungarianParamfilterSpectriPyModifiedCosineParamNeutralLossesCosineParamnormalize_intensitiespyspec_to_rspecremove_peaks_around_precursor_mzrspec_to_pyspecselect_by_intensityselect_by_mzspectraVariableMapping

Dependencies:basiliskbasilisk.utilsBHBiocGenericsBiocParallelclueclustercodetoolscpp11dir.expiryfilelockformatRfsfutile.loggerfutile.optionsgenericshereIRangesjsonlitelambda.rlatticeMASSMatrixMetaboCoreUtilsMsCoreUtilspngProtGenericsrappdirsRcppRcppTOMLreticulaterlangrprojrootS4VectorssnowSpectrawithr

Integrating Spectra with Python's matchms package

Rendered fromSpectriPy.Rmdusingknitr::rmarkdownon Feb 06 2025.

Last update: 2025-02-05
Started: 2022-03-03

Readme and manuals

Help Manual

Help pageTopics
Spectra similarity calculations using matchmscompareSpectriPy compareSpectriPy,Spectra,missing,CosineGreedyParam-method compareSpectriPy,Spectra,Spectra,CosineGreedyParam-method CosineGreedyParam CosineHungarianParam ModifiedCosineParam NeutralLossesCosineParam
Filter Spectra using matchmsfilterSpectriPy filterSpectriPy,Spectra,normalize_intensities-method filterSpectriPy,Spectra,remove_peaks_around_precursor_mz-method filterSpectriPy,Spectra,select_by_intensity-method filterSpectriPy,Spectra,select_by_mz-method normalize_intensities remove_peaks_around_precursor_mz select_by_intensity select_by_mz
Low level functions to convert between Spectra and matchms Spectrumpyspec_to_rspec rspec_to_pyspec spectraVariableMapping,missing-method