Is easyspin the right software for me?
Is easyspin the right software for me?
I glanced through documentations. This software seems to provide more than I may need, but I failed to find what I specifically need. Is it possible to just import my spectra and then let the software calculate the g's and hyperfine coupling constants? Does it do that? When I looked at the documentation it seemed like I need to provide these values for the software for it to further calculate other parameters for me. I am just interested in providing the spectra and get the other values in an output.
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- EasySpin Creator
- Posts: 1120
- Joined: Mon Jul 21, 2014 10:11 pm
- Location: University of Washington
Re: Is easyspin the right software for me?
What you need is the least-squares fitting function
esfit
. See here.