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

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Sharon
Newbie
Posts: 6
Joined: Wed Dec 21, 2016 2:55 pm

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

Post 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
joscha_nehrkorn
EasySpin Guru
Posts: 32
Joined: Wed Jan 20, 2016 11:35 am

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

Post 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.
Stefan Stoll
EasySpin Creator
Posts: 1047
Joined: Mon Jul 21, 2014 10:11 pm
Location: University of Washington

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

Post by Stefan Stoll »

If you post a short script that generates the error, it will be easier to help you.
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