SpinFit

Database simulation and fitting for spin adducts

SpinFit
SpinFit dialog for species input and fitting control

The SpinFit module performs a spectral simulation and fitting for spin adducts.  The simulation is based on a database library included in the module and from user input.  The fitting routine can adjust the line position, line width, line shape, and the area under the curve (double integral).  A direct interface to the Spin Counting module allows the fit area to be translated into spin concentration for each species, enabling a measurement.  The combination of the SpinFit and Spin Counting modules provides precise quantitation of spin trapping data.

Features:

  • Fits line width, line shape, and area
  • Optional fitting of line position (g-factor)
  • Fits individual slices of 2D Datasets
  • Direct interface to Spin Counting
  • Import fit parameters from dataset or disk
  • Direct fit of BESSST formatted data
SpinFitDMPO
SpinFit results for two species (DMPO-hydroxyl and DMPO-hydroxyethyl adducts) showing the experimental data (red), the fit (green) and the residual (black).