py-tofspec provides a command line interface and python package for analyzing and labeling proton transfer reaction time-of-flight mass spectrometry (PTR-TOF-MS) datasets.
Comprehensive documentation can be found here.
Install from PyPI
$ pip install py-tofspecIt can also be added as a dependency using Poetry
$ poetry add py-tofspecIf you would like to install locally, you can clone the repository and install directly with Poetry
$ poetry installDevelopment takes place on GitHub. Issues, bugs, and feature requests can be submitted and tracked via the GitHub Issue Tracker for this repository.