How to estimate the error for parameter simulation!!

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kanjargomes
Newbie
Posts: 1
Joined: Sat Jun 22, 2019 2:20 pm

How to estimate the error for parameter simulation!!

Post by kanjargomes »

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))
Stefan Stoll
EasySpin Creator
Posts: 1100
Joined: Mon Jul 21, 2014 10:11 pm
Location: University of Washington

Re: How to estimate the error for parameter simulation!!

Post by Stefan Stoll »

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.
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