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I am not able to reproduce this problem. It happens 1 out of 10 times, and I haven't been able to identify the problem. esfit calls isa(fcn,'function_handle ) first to make sure the supplied argument is a function handle, and then it calls nargin(fcn) to determine whether the function can be found. ...

It is totally possible to have E > D/3 once you fixed your D frame axes xD, yD, zD. In the presence of a distribution of D and E values, then usually the D frame is chosen based on the means of the distributions and on the 0<E<=D/3 convention. Once that frame is fixed, the distributions in D and E c...

If you have a structure of your complex, it might be worthwhile to perform a DFT calculation to obtain reasonable g and A values that you can use as starting values for a fit. Are you sure the g values for your radical are <2? Typically, they are above 2.0023. Your dipolar coupling appears quite sma...

Simulations with many nuclei (Cu and several N in your case) result in large matrices. Therefore, you need a lot of memory.

Using the double integral for spin quantitation is valid only if (1) both species have the same spin quantum number, and (2) both species have the same (or similar) g tensors, (3) you have the entire spectra recorded for both species.

In your case, it is definitely more accurate to use the weights.

I heard back. There is no time stamp or sequence number stored inside the SPE file. Use the time stamp of the file itself to sort the spectra in time.

Thanks. I'll follow up as soon as I hear back from Bruker/Magnettech folks.

I suggest trying to run of the fitting examples from examples/fitting and see if those work.

Please post a mininal and self-contained example script that shows how you envision this to work.

I suggest reaching out to the authors (particularly the corresponding author) of this paper. They will be best placed to answer your questions.

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