Difference between V6.0.0 and V5.2.35

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Patto
Newbie
Posts: 9
Joined: Sun Feb 26, 2023 5:36 pm

Difference between V6.0.0 and V5.2.35

Post by Patto »

Hi everyone,

I met a significant difference in generating an EPR signal using V6.0.0 and V5.2.35, especially for parallel mode signals. So I checked the roadmap, and both the signals arose from the transition between S=-2 and S=+2. The difference is that the resonance field changes rapidly in V6.0.0 but slowly in V5.2.35. So which one is more robust?

here are the code and the generated signals.

cm = 29979.2458; %(1con = 1cm-1 = 29979.2458MHz)
D = -6;E = D * 0.122
Sys0.D = [D E]cm;Sys0.S = 2;Sys0.g = [2.0 2];Sys0.lw = [0 16]; Sys0.DStrain = [1 0.06]cm;
Exp.Range = [1 701];Exp.Temperature = 10;Exp.Harmonic = 1;
Exp.mwFreq = 9.627327;Exp.Mode = 'perpendicular';
Opt.GridSize = 31; Opt.Threshold = 0;
[B,spc3] = pepper(Sys0,Exp,Opt);
Exp.mwFreq = 9.398139;Exp.Mode = 'parallel';
[B,spc4] = pepper(Sys0,Exp,Opt);
plot(B,spc3,'r',B, spc4,'b'); axis tight;

Attachments
V6.png
V6.png (9.92 KiB) Viewed 1876 times
V5.png
V5.png (10.32 KiB) Viewed 1876 times
Patto
Newbie
Posts: 9
Joined: Sun Feb 26, 2023 5:36 pm

Re: Difference between V6.0.0 and V5.2.35

Post by Patto »

fitting spectrums also met this difference.

Stefan Stoll
EasySpin Creator
Posts: 1050
Joined: Mon Jul 21, 2014 10:11 pm
Location: University of Washington

Re: Difference between V6.0.0 and V5.2.35

Post by Stefan Stoll »

To get parallel mode in version 6, use Exp.mwMode instead of Exp.Mode.

Patto
Newbie
Posts: 9
Joined: Sun Feb 26, 2023 5:36 pm

Re: Difference between V6.0.0 and V5.2.35

Post by Patto »

Stefan Stoll wrote: Tue Mar 26, 2024 10:10 pm

To get parallel mode in version 6, use Exp.mwMode instead of Exp.Mode.

thanks!

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