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pepper, 3d plot of Spec in terms of Gaussian and Lorentz lw

Posted: Mon Feb 20, 2017 2:39 pm
by Sharon
Dear experts,

I have a question. I want to simulate cw EPR and compare with my experiment result. To find the optimal linewidth, I want to simulate spec as a function of both Gaussian and Lorentz linewidth, but when I use two for loops to vary both linewidth, there was an error, says No broadening given, cannot compute spectrum with Exp.Harmonic=1. I am wondering if easyspin pepper cannot support to vary both linewidth?

Thanks

Sharon

Re: pepper, 3d plot of Spec in terms of Gaussian and Lorentz

Posted: Tue Feb 21, 2017 7:33 am
by joscha_nehrkorn
The error you reported here might be because at some point in your double loop both line widths were zero. EasySpin needs a finite line width to calculate a derivative spectrum.
Anyhow, you might be better of in fitting the line width using esfit.

Re: pepper, 3d plot of Spec in terms of Gaussian and Lorentz

Posted: Mon Feb 27, 2017 1:48 pm
by Stefan Stoll
If you post a short script that generates the error, it will be easier to help you.