Identify halogenated (Br/Cl) unit resolution mass spectra. Development version for subnominal resolution mass spectra.
The script for identifying mass spectra containing bromine and/or chlorine is IdentifyHalogenationScript.R located at the top level of the repository. The script requires Theoretical Distributions.csv in the working directory.
An R Notebook containing a documented example is at: http://orgmassspec.github.io/IdentifyHalogenationScript.html
To run the example, download the contents of the Example R Notebook folder and run IdentifyHalogenationScript.Rmd.