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.
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Investigate Halogen specific modules FindCoreFormulae2_Halogen and Utils_Halogen #15
Logic related to halogen compounds should be investigated to see which atoms are support and what kind of functionality is implemented to see what needs to be extended.
Logic related to halogen compounds should be investigated to see which atoms are support and what kind of functionality is implemented to see what needs to be extended.