Fitting Examples (Least Squares)

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 data.

1D Data Fitting

Figure 46 Fitting Cusipidine

Figure 47 Fitting 17O MAS NMR of crystalline Na2SiO3

Figure 48 Fitting PASS/MAT cross-sections

2D Data Fitting

Figure 49 13C 2D PASS NMR of LHistidine

Figure 50 17O DAS NMR of Coesite