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

[Uma Mahendra Kumar K]

Dear Deepak,


             First add your affiliation in your email signature. It is the right thing to do. Next, ....


What do you mean by histogram?

What do you want to plot?


in other words....


What do you want on the x-axis and what's on the y-axis?


Mahendra




============================
Dr. Uma Mahendra Kumar
Asst  Professor of Physics
School of Advanced Sciences
VIT University-Vellore 632 014
Bharat
VIT-Recognized as an Institution of Eminence (IoE),
________________________________
From: Ifeffit <ifeffit-bounces at millenia.cars.aps.anl.gov> on behalf of Deepak Varanasi <tirrano1 at gmail.com>
Sent: Thursday, December 10, 2020 8:56:55 AM
To: XAFS Analysis using Ifeffit
Subject: Re: [Ifeffit] How do I create a histogram based on R-space values

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 <ragordon at alumni.sfu.ca<mailto:ragordon at alumni.sfu.ca>> wrote:
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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