Who is the target audience of the MATLAB® eprfit toolbox? Is it interesting for me?
EPR spectroscopists aiming at reproducibility¶
Often, analysing EPR spectra involves fitting simulations to the experimental data. Whereas with EasySpin, there is nowadays a well-developed and “state of the art” set of simulation routines available covering most of the needs of the EPR spectroscopist, fitting is something often done manually and as a side project.
However, fitting complex spectra including many parameters in the optimisation problem is far from simple and straight-forward. In addition, it is of high interest to document the routines, algorithms, starting parameters and other details of the fitting procedures in order to achieve a better reproducibility and traceability.
The eprfit toolbox for MATLAB® tries to fill this gap: Providing the user, i.e. the EPR spectroscopist, with well-developed and modular tools and enough guidance for a reliable and successful strategy to fit simulations to the experimental data.