substantial refactor of pyrsir
  • the PyRSIR.py script has been broken into a package and is now included in the pythoms.rsir subpackage
  • new pythoms.mzml.structure.Trace class to manage raw data and retain binned data
  • new pythoms.rsir.data.RSIRTarget class to define attributes needed for RSIR analysis
  • new pythoms.rsir.processing.RSIR class to manage multiple RSIR analyses of an mzML file
  • the RSIR class has methods for accomplishing the functionality of the original PyRSIR script (individually callable by the user as desired)