Questions for EPR fitting of radicals

[leidashi]

I am a new one in learning Easyspin software.

Now, I am trying to simulate the experimentally measured DMPO-OH spectra (you can see in attachment). I have read the previous disscussion in Easyspin forum, but I still can not simulate my results very well.

Here, I also post my script as follow：

With kind regards.

clear, clf, clc, close all
[b,spc,par] = eprload('2.par');
b = b/10; % convert G -> mT
plot(b,spc);


Exp.mwFreq = 9.617;
Exp.Range = [min(b) max(b)];
Exp.nPoints = numel(spc);
Sys.S = 1/2;
Sys.Nucs = 'N,H';
Sys.n = [1 1];
Sys.g = 2.0055;
Sys.A = [14.9 14.9]*2.802;
Sys.lwpp = 0.1;
SysVary.g = 0.005;
SysVary.A = [0.3 0.3];
esfit(@garlic,spc,Sys,SysVary,Exp);[/size][/size]

[Florian]

The g value 2.0055 is out of the B range. Choose Sys.g = 1.96 instead and it works.

[leidashi]

Thank you! I have solved my question.

[Stefan Stoll]

A g value of 2.0055 seems reasonable for such a radical. Maybe the magnetic field axis on your spectrometer is not well calibrated? In this case, I would just shift the field axis.