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the simulated EPR spectrum has higher intensity

Posted: Sat Feb 16, 2019 8:28 pm
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

Re: the simulated EPR spectrum has higher intensity

Posted: Mon Feb 18, 2019 12:14 pm
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.

Re: the simulated EPR spectrum has higher intensity

Posted: Sun Feb 24, 2019 4:35 am
by rdolai
Thanks. But I should have attached the EPR spectra earlier. I am attaching now. Do you think, the rescale would work ?

Re: the simulated EPR spectrum has higher intensity

Posted: Thu Feb 28, 2019 2:22 am
by nwili
Just try it! Why did you choose the "no scaling" option? it looks like it could fit.

Re: the simulated EPR spectrum has higher intensity

Posted: Fri Mar 01, 2019 8:38 am
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.