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exporting data from esfit

Posted: Wed Jan 27, 2021 6:30 am
by brijith

Hallo,

I fitted an Fe3+ epr spectrum using esfit. (I used the 'scale& quad.baseline lsq2' in the scaling to get a proper fit for the baseline.)
And the fit looks really good.

I took the optimised 'function parameters' after the fit, to stimulate the epr spectra using pepper. But the baseline of the simulated spectra doesn't look good.

Is there any way to solve this issue?

Please let me know if you need more details.

Thanks in advance,
Brijith Thomas


Re: exporting data from esfit

Posted: Fri Jan 29, 2021 1:41 am
by YanQing

I recommend baseline processing of the original data first. You can try MATLAB's ready-made detrend function.


Re: exporting data from esfit

Posted: Thu Mar 04, 2021 1:49 pm
by Stefan Stoll

The baseline fitted by esfit is not included in the spin system parameters. You would need to do a separate baseline fit (again) after you complete the esfit fitting. For this, have a look at EasySpin's basecorr. In contrast to MATLAB's detrend, it returns the corrected spectrum as well as the fitted baseline. You also get better control when dealing with a matrix of data.


Re: exporting data from esfit

Posted: Mon Mar 08, 2021 8:22 am
by brijith

Thank you. It helped.