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
pepper, 3d plot of Spec in terms of Gaussian and Lorentz lw
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- EasySpin Guru
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- Joined: Wed Jan 20, 2016 11:35 am
Re: pepper, 3d plot of Spec in terms of Gaussian and Lorentz
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.
Anyhow, you might be better of in fitting the line width using esfit.
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- EasySpin Creator
- Posts: 1108
- Joined: Mon Jul 21, 2014 10:11 pm
- Location: University of Washington
Re: pepper, 3d plot of Spec in terms of Gaussian and Lorentz
If you post a short script that generates the error, it will be easier to help you.