Facing problem while simulating an epr spectra.

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anibhandari.91
Newbie
Posts: 7
Joined: Sat Aug 19, 2017 11:30 am

Facing problem while simulating an epr spectra.

Post by anibhandari.91 »

coepr.jpg
coepr.jpg (38.13 KiB) Viewed 1486 times
I have tried to simulate a epr spectra containing cobalt nuclei coupled with nitrogen. I am using the following code
Sys1.g=[2.03 2.00];
Sys1.lw=1;
Sys1.S=1/2;
Sys1.Nucs='59Co';
Sys1.A=[28 9 6];
Sys1.weight = 5;
Sys1.nPoints=5000;
Sys2.g=[1.985];
Sys2.lw=2;
Sys2.Nucs='14N';
Sys2.weight = 1;
Sys2.S=1/2;
Sys2.A=[0 5 100];
which parameter i should use so that we get a exactly match simulaed spectra? Thank you in advance.
jchen3
User
Posts: 19
Joined: Mon Oct 06, 2014 9:29 pm

Re: Facing problem while simulating an epr spectra.

Post by jchen3 »

I would say the spectrum does not look like in good quality, I even doubt the fine structures showing on the left peak are really hyperfine splittings. It's better to get a good tuning, lower the scan rate, or run more scan before getting into simulation.
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