EasySpin forum

Either you think about how the parameters you have manifest in the spectrum, and change them accordingly (i.e., the hyperfine coupling), or you look into the esfit function.

I think you don't use enough points for the resolution/linewidth you have. The spectrum looks more symmetric if you increase Exp.nPoints.

Sys.A is matrix that consists of blocks: if (ei-nj) is the coupling between electron i and nucelus j, Sys.A looks like [ [e1-n1] [e2-n1]; [e1-n2] [e2-n2]; [e1-n3] [e2-n3]; [e1-n4] [e2-n4]; [e1-n5] [e2-n5]; ] each of these blocks can be one, two or three numbers, or a 3x3 matrix. but they all need to...

The script also needs manual input, so I just used 1100 for the field position. You need to specify an isotope for copper, there is no automatic function to include natural abundance in the function EDNMR. also the line plot(abs1,spec1,'b',x1,y1/max(y1),x,y/max(y),'r') cannot work because you did no...

I suggest that spin system with 29 nuclei is extremely large.

Yes, most likely, the computer can't even store the Hamiltonian in Matrix Form, as the dimension is (2^30)x(2^30) (if all spins are 1/2).