Integrating Spectra with Python’s matchms package
The SpectriPy package allows integration of Python MS packages into a Spectra-based MS analysis in R. Python functionality is wrapped into R functions allowing a seamless integration of the functionality of Python’s matchms package into R. In addition, functions to convert between R’s Spectra objects and Python’s matchms spectrum objects are available to the advanced user or developer.
Contributions
Please the R for Mass Spectrometry code of conduct and contribution guidelines.
Pre-requisites and installation instructions
SpectriPy uses basilisk to ensure all required python packages are installed and available (in the correct version) on each system. basilisk installs a self-contained conda environment, thus, the SpectriPy package is independent of the system’s Python environment.
To install the package use
BiocManager::install("RforMassSpectrometry/SpectriPy")Concepts and examples
See the package’s vignette.
