EasySpin forum

Hello. Apparently, this issue is a simple one, since earlier I somehow managed to overcome this, but not this time and I am completely stuck now.

clear, clf

% Load experimental data
[field,sign] = eprload('DE158_10m3Conc_1Best24dB50Scans');

%Set MW frequency and field sweep parameters
Exp.mwFreq = 9.87359;
Exp.Range = [347.5 355.5];
Exp.nPoints = 4096;

% Set parameters for simulation
Sys.g = 2.00926;
%Sys.Nucs = '14N, 14N,14N, 14N, 14N, 14N, 14N, 19F, 19F, 19F, 19F, 19F';
%Sys.A = 1.00* mt2mhz([0.42,0.42,0.22 ,0.19,0.19,0.19,0.19, 0.15,0.15,0.15,0.15,0.15 ]);
Sys.Nucs = '14N, 14N, 14N, 14N, 14N, 14N, 14N' ;
Sys.A = 1.00* mt2mhz([0.42, 0.42, 0.22 ,0.19, 0.19, 0.19, 0.19]);
Sys.lwpp = [0.07 ,0.07]; % Voigtian broadening (Gaussian + Lorentzian)


[xa,ya] = garlic(Sys,Exp);


plot(xa,ya/max(ya),'b',field/10,sign/max(sign),'r');
ylim([-0.02 0.02])
xlim([349 355])

xlabel('magnetic field [mT]');


Vary.g=[0.0002];
Vary.lwpp=[0.07 ,0.07];
Vary.A = mt2mhz([0.08,0.08,0.09 ,0.09,0.09,0.09,0.09]);

esfit([field,sign], @garlic, {Sys,Exp}, {Vary});

After reading about esfit and everything related, i think i finally grasped, how it works. But when fitting window appears, the EPR spectra is shifted towards right, and the left half is filled with dots in a straight line (the two output windows are attached). What may be the possible solution to this? I am really frustrated. Thanks!

version: R2023b Update 3 (23.2.0.2409890) (October 4, 2023)

The fitting range of esfit depends on the magnetic field range of the experimental data you imported and the Sys.Range variable you provided, not your plot range. If you want to customize the fitting range, you should manually change your experimental data range, pay attention to clipping sign instead of pure field, and change Sys.Range to match the range of sign.