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Thanks for your answer!

I have also a short question on E- and D-strain.
If my expected E (and D) distribution is in the magnitude of 10-20% of the E (and D) value, is the strain-model still valid or would it be better to run a loop over the E/D-distribution.

kind regards
lorenz

Thank you very much!!!
I'll try it. Thats perfect.

Add: I'm quit sure, that the additional peaks are due to the upper Kramers doublet. If you add the follwoing spin-system: %Define System3: %ficticous Spin-System S'=1/2 upper doublet Sys3.S=1/2; Sys3.g=[0.34 0.32 6]; Sys3.Nucs='13C,13C'; Sys3.A=[1.2*0.34/2 2.8*0.32/2 2.9*6/2;0.4*0.32/2 1.7*0.34/2 -1...

Add:

I have alread checked both Spin-System with a simulated cw-Experiment ('pepper'), they look similar.

Dear Easyspin-Team, here is my easyspin-input, its an example on g~2 in X-Band: %Define Experiment 3PESEEM (ideal Pulses): Exp.mwFreq=9.70; Exp.Field=341.8; Exp.T=0.4; Exp.tau=0.13; Exp.dt=0.020; Exp.Sequence='3pESEEM'; Exp.ExciteWidth=1000/16; %Orientationselection ~60MHz Exp.nPoints=1024; %Define ...

Dear easyspin team, I've tried to simulate the follwowing Spin-System: S=3/2; g=[2.00 2.03]; D=[1 0.053]*12.2*cm^-1, (This correspondes to a ficticous S'=1/2-System with: g'=[4.31 3.67 2.01] I want to Simulate the Hyperfine couplings of two nulcei on the lower kramers doublet. By computing the Spect...

Thanks a lot for your quick answer

Thank you very much for your answer. If I understand your answer correctly, the effect of pseudonuclear zeeman tensor should be included if I use the total spin hamiltonian. So the systematical error should be smaller instead of using the fictitious spin system. Is this correct? Kind regards lorenz

Hi, I would like to simulate orientation selective Hyscore on a lower kramers doublet (S=3/2) with saffron. By using the effective rombic g-tensor values (with s'=1/2), the pseudo-nuclear Zeeman-tensor is not included. Is there a way to include this effect with saffron? Or would it be better to calc...