I am trying to simulate the EPR data for metalloenzyme (cobalt), by using the below parameters. The problem is I couldn't able to simulate the EPR data using the below parameters. My aim is to calculated E/D values for the spectrum. I am not understanding where I went wrong.
Can anyone kindly help me to sort out this problem?
Thank you in advance.
[B,spc] = eprload(‘Test.DTA');
Sys1.g=[1.9 2.01 2.2];
Sys1.gStrain=[10 10 10];
Sys1.lw=1;
Sys1.S=3/2;
Sys1.Nucs='59Co';
Sys1.A=[28 9 6];
Sys1.weight = 5;
Sys1.nPoints=5000;
esfit(@pepper,spc,Sys0,SysVary,Exp);
Matlab error:
WARNING: No resonance fields at 9.64 GHz between 2400 and 4399 mT.
Check field range and spectrometer frequency.
Warning: Rank deficient, rank = 1, tol = 1.986027e-11.
In rescaledata
In esfit
Warning: Rank deficient, rank = 1, tol = 1.986027e-11.
In rescaledata
In esfit