Solvers

The solving process of SpectraFit is based on the following three steps:

  1. Defining the defining the model parameters: The proposed peak is translated into a lmfit-type dictionary based on the object-type input parameters. The proposed peak can be manual or automatically generated. In the case of manual parameters, the fitting procedure can also be applied to a global or hybrid global-fitting routine. For more information check please in API-section ModelParameters
  2. Solving of the curve models: Next, SolverModels will solve the lmfit-compatible model for a 2D- or 3D-fitting problem. All parameters, boundaries, and conditions will pass to the proposed models. In the case of global fitting, the spectra have to be flattened.
  3. Calculating the model parameters Independent of a 2D- or 3D-fitting problem, the calculated/optimized spectra will always be created in a two-dimensional fashion; for more information, please check the API-Section about calculated model.