[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.

>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
>Ifeffit mailing list
>Ifeffit at millenia.cars.aps.anl.gov


Stefano Ciurli
Professor of Chemistry
Laboratory of Bioinorganic Chemistry
Department of Agro-Environmental Science and Technology
University of Bologna
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