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Facing problem while simulating an epr spectra.
Posted: Sun Mar 31, 2019 10:24 am
by anibhandari.91
- coepr.jpg (38.13 KiB) Viewed 1136 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.
Re: Facing problem while simulating an epr spectra.
Posted: Mon Apr 01, 2019 9:50 pm
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.