EasySpin forum

For my knowledge, Amp is double integral intensity, Wid is anisotropic broadening (defined by strains and orientation).

I have tried to reinstall the program. The results were the same, unfortunately. I'll try to use more recent version of MATLAB.

I tried to install your application, but it does not start and throwa an error. Error using nargout Function cwEPR does not exist. Error in cwEPRApp/startApp (line 42) if nargout(@cwEPR) == 0 Error in cwEPRApp (line 21) startApp(obj) Error in appinstall.internal.runapp>execute (line 29) out = evalin...

May be Spinach program will be appropriate (http://spindynamics.org/Spinach.php)?

I think, the best way is writing a custom simulation function. It looks not extremely hard if Your system may be treated by first-order perturbation limit. The calculation of the line positions and intensities may be found elsewhere, like Sankarapandi al al., doi.org/10.1006/jmra.1993.1147 Fast algo...

You have to write custom simulation function.

It should be better to attach your script for simulation. Your system looks extremely large for treating with matrix diagonalization. Also, it completely unclear why Sys.ee is used for isotropic system. Sys.J should be enough. Is it able to treat some nuclei perturbationally via hybrid method? It sh...

May be the dat-file contains text data. In this case You have to use textreadfunction instead eprloadone. http://easyspin.org/easyspin/documentat ... xport.html

I have found that simulation of the spectrum of biradicals by pepper function gives wrong results with Opt.Method='hybrid' parameter. The spectra always looks as ones with J>>A regardless Sys.J parameter. Here the script illustrating the problem. clear, clf aN=28; J=aN*[0.01 0.3 0.5 0.9 1.5 2 2.5 3....

William, as it was noted by Stefan Stoll, there are too much parameters should to be varied in Your simulation. Firstly, what the reason to use anisotropic g-factor for isotropic spectra? Secondly, all of EPR parameters of the spin system like g-factor, HFC constants, etc should be defined once and ...