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

[Deepak Varanasi]

Good afternoon


Yes. The files I sent in my email belong to ones with multiple scans of the
same sample.

Moreover, this is my first time creating a histogram with such kind of data
and therefore, have no clue what to do or expect.

 I honestly do not even know how to approach it and you all are my final
hope. Kindly guide me through the process, please.

Yours sincerely
Deepak Varanasi


On Wed, Dec 9, 2020, 13:21 Robert Gordon <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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