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A brief glance at the related paper and it seems like you could use the programs for chemical exchange, refer to: viewtopic.php?f=8&t=309

When using specific isotopes, the provided hyperfine values directly determine the splitting, however when using the natural isotope abundance, the input hyperfine value gets scaled by the nuclear g-value difference. So in your case the lower abundance 37Cl should use a set of hyperfine values scale...

In the development version this has been fixed, the ES function rescale was renamed rescaledata which avoids, as in your case, the other Matlab rescale function.

You can simulate absorptive or emissive lineshapes in pepper by passing the experimental parameter Exp.Harmonic = 0, the default in pepper is the first harmonic which is the derivative.

I would refer to https://doi.org/10.1016/S0022-2364(78)80015-8 for the method of extracting E/D from a rhombic g-tensor fit, but a warning, that method is only really valid when |D| is much greater than the Zeeman interaction. Alternatively you could fit your spectrum using its actual spin multiplic...

Yes that looks like a bug. Thanks for reporting it.

This is a problem related to your linewidths. If the linewidth is smaller than the step size, the convolution doesn't really work appropriately. I know this has been fixed in the development version 6.0.0*, and it includes an adequate warning. You can also refer to https://easyspin.org/forum/viewtop...

By over parameterized, I mean (in my opinion) that you are trying to fit too much in your spectrum, three different spins each with 3 g-values, a linewidth and a weight. 15 parameters and they are all likely to be highly correlated. So while technically you can pull all of that from your spectrum, i...

You could add some Lorentzian character into your linewidths, that may let you capture the trailing to low field feature better. Alternatively you could think about g-strain. But that adds a whole additional dimension of parameters to what in my opinion is something that is already a little over par...

In a simulation sense, the only way you could reasonably simulate such large number of nuclei would be switching the method to use perturbation theory, Opt.Method = 'perturb' , 'perturb1' or 'perturb2' . From a practical standpoint, unless you can see structure in your EPR spectrum, 100 equivalent n...

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Re: motional effects in biradical nitroxides

Re: why the simulated spectra are different between the mixture isotopes of Cl and the single enriched 35Cl or 37Cl

Re: Rescale function error

Re: Crystal Simulations

Re: How to get E/D values from fitted EPR spectrum

Re: orientation selection - saffron using user-defined pulse sequences

Re: Pepper simulation depends on field step size

Re: Broadenings issue

Re: Broadenings issue

Re: simulation with a large number of magnetic nuclei