[Ifeffit] Re: statistical parameters (Josh Kas)
Stefano Ciurli
stefano.ciurli at unibo.it
Wed Dec 14 14:52:15 CST 2005
Hi Josh,
thanks a lot. Yes of course I have the paper and I have read it and
that is the reason why I asked the question about what is calculated
by IFEFFIT considering the fact that from the mere examination of the
numbers I could not make much sense of them. I am writing up a paper
and I would like to know well what I am reporting in it.... So I hope
Matt will help.
Stefano
>Hi,
>I don't know what ifeffit does, but here is a nice paper by Ed Stern
>which goes through the theory
>
> Number of relevant independent points in x-ray-absorption
> fine-structure spectra.
> PRB V. 48 Number 13
>
>The conlcusion is that if you are using r-space data that includes r=0 then
>
> Nidp = 2dkdR/pi + 1
>
>otherwise, when r=0 is not included in the fit
>
> Nidp = 2dkdR/pi + 2
>
>Hope this helps.
>Josh Kas
>
>
>
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____________________________________________
Stefano Ciurli
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Laboratory of Bioinorganic Chemistry
Department of Agro-Environmental Science and Technology
University of Bologna
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