[Ifeffit] How do I create a histogram based on R-space values

[Robert Gordon]

When i look at the files you included, I see R-value in the first 
column, then what I am assuming are
the (magnitude of) Fourier transforms of different data sets selected 
for export, with vertical
displacements of 10 or 25 between each data set.

A histogram plot would involve extracting N and R values (and 
mean-square-relative-displacements and Eo-shift).

So, some questions:
Do these individual datasets comprise multiple scans for one sample?
If so, do you plan on merging this data (typically, I do this before 
removing background and extracting chi(k))?

else if they represent data that is to be kept separate (not to be 
merged)...

Have you fit this data to get N and R (and...)?

If you have a standard (e.g. only 1 target element), where you know N 
and R, and what a histogram
plot of N vs R would be, have you tried examining that first to get a 
feel for what you need to do
with your unknowns?



On 2020-12-09 10:38 a.m., Deepak Varanasi wrote:
>
> Good afternoon
>
> I hope that everyone is safe and healthy.
>
> I am trying to create a histogram of Number of atoms vs. the radial 
> distance between the central atoms and their neighbours  (in 
> Angstroms). I have the R-space data for 3 of my “central atoms” but I 
> do not know how to create a histogram using them as each of them has 8 
> columns of data and I do not know which one(s) to use.
>
> Hence, may I ask for your guidance please?
>
> Yours Sincerely
>
> Deepak Varanasi
>
> P.S.: I have appended an example file of an R-space reading to 
> demonstrate what I mean .
>
>
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