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Is easyspin the right software for me?

Posted: Sun Jun 04, 2017 6:15 pm
by esanm
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.

Re: Is easyspin the right software for me?

Posted: Mon Jun 05, 2017 10:09 pm
by Stefan Stoll
What you need is the least-squares fitting function esfit. See here.