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SpinFit
Database simulation and fitting for spin adducts
- 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
- SpinFit results for two species (DMPO-hydroxyl and DMPO-hydroxyethyl adducts) showing the experimental data (red), the fit (green) and the residual (black).
