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Posted: **Mon Aug 21, 2017 12:36 am**

Hi,

I tried to fit the EPR spectrum in Polymers samples contained TEMPO. Here is the code of Matlab that I used:

Code: Select all

[B,spc] = eprload('PU5_2.dat'); 
Sys0.g = [1.9980,2.0040,1.9975];
Sys0.logtcorr=-8;
Sys0.lw = 1;
Sys0.A = [24,25,85];
Sys0.Nucs='14N';
Vary.lw = 2;
Vary.g =[0.01 0.01 0.01];
Vary.A = [2 2 2];
Vary.logtcorr = -4;
Exp.CenterSweep=[334 50]
Exp.mwFreq = 9.388065;
Exp.Range = [309 359];
esfit('pepper',spc,Sys0,Vary,Exp);

And here is the screenshot show the fit and the spectrum:

: EPR.png (55.19 KiB) Viewed 1481 times

I think that there could be a distribution in parameters, Could you please show how to write the code to include the distribution to the parameters?

Thank you very much,

Cheers,

Posted: **Mon Aug 21, 2017 2:15 am**

The lines of the spectrum should contain Lorenzian broadening. Try to use Sys0.lw=[1 1]; to add it in the simulation.
Also the strains (HStrain, gStrain, AStrain) may be required. See http://easyspin.org/easyspin/documentat ... html#aniso for details.

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Fitting EPR spectrum of TEMPO in polymer

Fitting EPR spectrum of TEMPO in polymer

Re: Fitting EPR spectrum of TEMPO in polymer