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Assign percentage for different spin state

Posted: Mon May 24, 2021 2:44 am
by kamalu

Hello EasySpin fellow,
I have recorded one EPR spectra for a complex, of Fe(III), in the spectra I am able to see two type of signal, for intermediate spin and low spin. I wanted to know how to include in the spin block percentage of the spin (for example 60%, 3/2 and 40%, 1/2). Please suggest if any one has gone through such problem.

Regards,
Kamal


Re: Assign percentage for different spin state

Posted: Wed May 26, 2021 10:22 am
by Stefan Stoll

You can simulate the combined spectrum for the two species and include the weights. Assuming the two spin systems are called Fe1 and Fe2, then

Code: Select all

Fe1.weight = 0.6;
Fe2.weight = 0.4;
[B,spc] = pepper({Fe1,Fe2},Exp,Opt);