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katarkon

Alternative way is custom simulation function. You may to obtain the resonance fields and the intensities via resfields() and further define the linewidths and lineshapes for separate lines individually. The problem that resfields() sorts its output according to the energy of the levels, there are n...

katarkon

You may try to use chili() function. It works with arbitrary spin systems including biradicals, but calculations seem to be extremely slow. Here the exmple script. % Simple slow-motional cw EPR spectrum simulation of a nitroxide diradical %============================================================...

katarkon

The pepper() function allows to simulate the spectra of biradicals.

katarkon

Probably, the filename must contain the extension (.xml for Magnettech). Your scripts does not contain ir.

katarkon

It should be noted that the hyperfine splitting may not be correst treated in 'hybrid' mode. See the issue viewtopic.php?f=4&t=569

katarkon

The best way is using garlic() for preliminary calculations and then chili() for confirmation either refinement.

katarkon

I'm afraid I don't completely understand what You want to see. Can you write a simple scripts for each diagram of each site?

katarkon

Just use hold on; and call levelsplot for each spin system. Here a brief example. clear, clf Sys.S = 1/2; Sys.Nucs='63Cu'; %Sys.n=[1 4]; Sys.A=mt2mhz([1400])/10; mwFreq=9.645; Par.ColorThreshold=1.090; B = [50 550]; % mT hold on; levelsplot(Sys,'x',B,mwFreq,Par); Sys.A=mt2mhz([800])/10; levelsplot(S...

katarkon

Use garlic() instead of chili().

katarkon

Probably, Sys.Abund should be additionally defined if the definition '(135,137)Ba' is used.

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