Fitting (Least Squares) Gallery¶
The MRSimulator library is easily integrable with other python-based libraries. In the following examples, we illustrate the use of LMFIT non-linear least-squares minimization python package to fit a simulation object to experimental dataset.
1D Dataset Fitting¶

¹⁷O MAS NMR of crystalline Na₂SiO₃ (2nd order quad)
¹⁷O MAS NMR of crystalline Na₂SiO₃ (2nd order quad)

Extended Czjzek fitting of ¹³⁹La MAS NMR of La₀.₂Y₁.₈Si₂2O₇
Extended Czjzek fitting of ¹³⁹La MAS NMR of La₀.₂Y₁.₈Si₂2O₇