Good evening
May I also know how to calculate the necessary ingredients in building a
histogram such as R and N?
I suppose R is just the R-space stuff so how do I calculate N? Is it simply
the number of peaks in my R-space graph or something else entirely?
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?
Yours sincerely
Deepak Varanasi
On Wed, Dec 9, 2020, 13:21 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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