Deepak, On Wed, Dec 9, 2020 at 9:27 PM Deepak Varanasi <tirra...@gmail.com> wrote:
> Good evening > > May I also know how to calculate the necessary ingredients in building a > histogram such as R and N? > The analysis of EXAFS to extract structural parameters is slightly complex. There is quite a bit of literature on how to do this. I may suggest looking at the books listed at https://xafs.xrayabsorption.org/tutorials.html, especially the two by Grant Bunker and Scott Calvin. I suppose R is just the R-space stuff so how do I calculate N? > Hm, well actually it kind of isn't. > Is it simply the number of peaks in my R-space graph or something else > entirely? > No, it is not simply the number of peaks in the plot of |chi(R)|. The positions and intensities of those peaks do depend on the distribution of distances, g(R), but also depend in non-trivial ways on scattering factors of the photo-electron created in the absorption process. > I need to be able to construct the histogram to finish my thesis and > graduate but I am still stuck on it. Hence, may I request your guidance on > this please? > EXAFS data is not simply "converted" to a histogram of distances, g(R). EXAFS does depend on g(R) and an analysis of the EXAFS signals can provide information about the local structure. I hope that helps, but it appears you are confusing |chi(R)| (the magnitude of the Fourier transform of the EXAFS oscillations) with g(R). They are related, but that relationship is not simple enough to allow a simple conversion from |chi(R)| to g(R). --Matt
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