EasySpin forum

Hi, i would like to know how i can associate the 'rmsd' with the error for the parameters of the Hamiltonian (tensor components of g and A) acquired through the routine described for the following algorithm:

[bestSys,bestSpec] = esfit('garlic',expSpec,Sys,Vary,Exp,SimOpt,FitOpt);
residuals = expSpec - bestSpec';
rmsd = sqrt(mean(residuals.^2))

EasySpin's fitting routines do not provide parameter errors. To get these, you need to check the chi-squared value and see how it changes as you change each parameter from its fitted optimum.