Hello Community,
first i want to say thanks to the inventors of EasySpin, it's awesome!
Anyway, there is some additional information i'm interested in and i hope you can help.
I'd like to know if it is possible, to get the (double) integral of my best fit.
I'm using pepper to simulate S=1/2 spectra, with a wide spread(rhombic) g-Tensor.
Thanks a lot,
best regards,
Michael
fit integral
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- EasySpin Guru
- Posts: 154
- Joined: Tue Jul 22, 2014 11:01 am
- Location: Northwestern University
Re: fit integral
In matlab one of the easiest ways to integrate your spectra(assuming the increment between points is constant which is the case with ES outputs) is to use
Alternatively you could have
cumsum
a cumulative sum. Do it once for the integral, twice for the double integral.Alternatively you could have
pepper
return the zeroth harmonic with the use of Exp.Harmonic = 0
and then integrate that using cumsum
.