The MFAssignR package was designed for multi-element molecular formula (MF) assignment of ultrahigh resolution mass spectrometry measurements. A number of tools for internal mass recalibration, MF assignment, signal-to-noise evaluation, and unambiguous formula selections are provided.
Started refactoring of IsoFiltR and KMDNoise and implemented unit tests for those two modules. Also deleted the RMD code stuff as it is not needed.