EasySpin forum

I found this forum rather helpful when seeking solutions to some problems in using ES. I am dealing with a hexagonal single crystal (space group No 176) along c and a/b directions using EPR. To further simulate the spectra, I have to state the crystal orientation to other coordinate frames in the co...

thanks for your reply. An error in data = [B(:) spc(:)] remains. Below is the code i used. Please advise me how to improve. Thank you. clear % below is a standard fitting code [B,spc] = eprload('La.par') Sys0.S = 1/2; Sys0.Nucs = '139La, 139La, 139La'; Exp.mwFreq = 9.386; % GHz Exp.Range = [170 470]...

Thanks Stefan I did change the code as you suggested. A new error pops up, The following error occurred converting from double to struct: Error using struct Conversion to struct from double is not possible. Error in simcode (line 41) data = [B(:) spc(:)]; what i want to do is to save the simulated s...

Hi All I am just starting to use ES to simulate my EPR spectra. There is a question that may sound stupid but is in need of your help. Once I complete the fitting, I don't how to proceed to output the simuated spectrum. I tried the following code but it did not work and what I recieved is the raw ex...