the simulated EPR spectrum has higher intensity

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rdolai
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Posts: 3
Joined: Sat Feb 16, 2019 10:22 am

the simulated EPR spectrum has higher intensity

Post by rdolai »

Hi,
I am new to EPR simulation. I have simulated an isotropic EPR spectrum (garlic). The simulated spectral pattern is well matched with the experimental one. However, the only thing bothering me is that the intensity of the simulated spectrum is higher by approx. 10 times than the experimental one. Is this kind of observation usual ?
Thanks
RD
nwili
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Posts: 25
Joined: Mon Oct 16, 2017 6:27 am

Re: the simulated EPR spectrum has higher intensity

Post by nwili »

There is no significant physical information in absolute intensities. They depend on a plethora of parameters that have nothing to do with the system under investigation. You can simply rescale the simulated spectrum with the rescale() function.
rdolai
Newbie
Posts: 3
Joined: Sat Feb 16, 2019 10:22 am

Re: the simulated EPR spectrum has higher intensity

Post by rdolai »

Thanks. But I should have attached the EPR spectra earlier. I am attaching now. Do you think, the rescale would work ?
Attachments
Simulated (green), exp. (black)
Simulated (green), exp. (black)
epr-simu.jpg (109.94 KiB) Viewed 1614 times
nwili
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Posts: 25
Joined: Mon Oct 16, 2017 6:27 am

Re: the simulated EPR spectrum has higher intensity

Post by nwili »

Just try it! Why did you choose the "no scaling" option? it looks like it could fit.
rdolai
Newbie
Posts: 3
Joined: Sat Feb 16, 2019 10:22 am

Re: the simulated EPR spectrum has higher intensity

Post by rdolai »

Ok. Now the problem is solved. Earlier, I was using easyspin 5.2.24 which has ''bug'' problem. The ''lsq0'' was giving flat line. Now, I have upgraded to the latest version, and it works fine. But Thanks for the suggestion.
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