Urgent: Matching simulation with experimental data OH Radicals DMPO
Dear EasySpin,
I have a problem with matching both simulation and experimental data for some of my data. The weird thing is that there are data which already is matched by its simulation. But, some of another data does not.
Why could be that? Thank you.
Here is the code:
[B,spc] = eprload(File);
disp(length(spc))
B = B/10;
g_offset = +0.00525;
Sys0.g=2.006 + g_offset;
Sys.S=1/2;
Sys0.Nucs = '14N,1H';
Sys0.A = [14.9 14.9]*2.802;
Sys0.lw = [0.07; 0.07];
Sys0.n = [1; 1];
%
Exp.mwFreq = 9.464;
Exp.CenterSweep = [337 8];
%[x,y] = garlic(Sys0,Exp);
%plot(x, y)
Vary.g = 0.0025;
%Vary.A= 0,01;
Vary.lw = 0.03;
SimOpt.Method = 'perturb';
%
FitOpt.Scaling = 'lsq1';
FitOpt.Method = 'levmar int';
Exp.nPoints = length(B);
f = esfit('garlic',spc,Sys0,Vary,Exp,SimOpt,FitOpt);
%
Sys = Sys0;
Sys.lw = f.lw;
Sys.g = f.g;