Different edfs simulations from esfit and pepper

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kuyung
Newbie
Posts: 2
Joined: Wed Aug 22, 2018 3:14 pm

Different edfs simulations from esfit and pepper

Post by kuyung »

Hello,
I've been getting different simulated edfs spectra from esfit and pepper simulation using the same parameter. I'm not quite sure what I did wrong, here are the scripts and pictures:
Thanks for your time!
esfit:

Code: Select all

Sys.Nucs = '51V';
Sys.g = [1.9300 1.9166 1.9743];
Sys.A = [298.2152 359.8756 130.6171]; %MHz
Sys.AStrain = [42.4494 32.8162 14.8598];
Sys.lw = [3.0076 0.6431]; % Gaussian Lorentzian broadening
Vary.g = [0.05 0.05 0.05];
Vary.A = [20 20 20];
Vary.AStrain = [30 30 10];
Vary.lw = [1 1]; % £= log10(tcorr/seconds)
Exp.mwFreq = 9.425585;  % GHz
Exp.CenterSweep = [329.6 200];  % mT
Exp.Temperature = 80; % temperature in kelvin
Exp.Harmonic = 0;
esfit('pepper',real(norm_spec),Sys,Vary,Exp);
https://imgur.com/a/m2s8kx8

simulation:

Code: Select all

Sys.Nucs = '51V';
Sys.g = [1.9300 1.9166 1.9743];
Sys.A = [298.2152 359.8756 130.6171]; %MHz
Sys.AStrain = [42.4494 32.8162 14.8598]; %MHz
Sys.lw = [3.0076 0.6431]; % Gaussian Lorentzian broadening mT
Exp.mwFreq = 9.425585;  % GHz
Exp.CenterSweep = [329.6 200];  % mT
Exp.Temperature = 80; % temperature in kelvin
Exp.Harmonic = 0;

[x,y1] = pepper(Sys,Exp);
minVal = min(y1);
maxVal = max(y1);
norm_data = (y1 - minVal)/(maxVal - minVal);
plot(x,norm_data,'LineWidth',1,'Color','b')
hold on
plot(B/10,real(norm_spec),'LineWidth',1)
hold off
%these limits just help you define the size of window it provides%
xlim([280 420]);
ylim([0.0 1]);
https://imgur.com/a/ksqJ9f6
Stefan Stoll
EasySpin Creator
Posts: 1120
Joined: Mon Jul 21, 2014 10:11 pm
Location: University of Washington

Re: Different edfs simulations from esfit and pepper

Post by Stefan Stoll »

Make sure to scale the simulated spectrum the same way you asked esfit to scale it:

Code: Select all

y_sim = rescale(y_sim,y_exp,'lsq0')
kuyung
Newbie
Posts: 2
Joined: Wed Aug 22, 2018 3:14 pm

Re: Different edfs simulations from esfit and pepper

Post by kuyung »

It worked. Thanks again for your help!
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