[GSAS-II] [Ext] Question about GSAS-II sourcecode

[Carlo Segre]

Hi Matthew:

The GSAS code for reading brml files is originally from me.  I have
attached it.  Hopefully it is self-explanatory but feel free to ask me any
questions.

Carlo

On Fri, Sep 29, 2023 at 1:39 PM Brown, Matthew via GSAS-II <
gsas-ii at aps.anl.gov> wrote:

> All (But mostly Bob)
>
>
>
> I’m writing my own program for extracting the parameters you need to
> report in a paper and automatically generate a report I can send the users.
> One of the features of it is making a graph in the PDF of each result for
> quick viewing, and making a CSV for the engineers (since most of them are
> examining their data in various engineering graphic packages like Origion,
> since they just want to see what peaks are present).
>
>
>
> Anyway, I’d like to extract the data directly from the *.brml file. I've
> *found* it, but it is in a really odd table format:
>
>
>
> Example:
>
>
> <Datum>229.285790558608,1,10.0001,5.0001,19829.1035,229.285790558608</Datum>
>
>
> <Datum>229.285790558608,1,10.1001,5.0501,19207.748,229.285790558608</Datum>
>
> <Datum>229.285790558608,1,10.2001,5.1001,19214.4043,229.285790558608</Datum>
>
>
>
> GSAS-II reads this with
> "
>
>   x[i] = float(entry[2])
>   y[i] = float(entry[4])*float(entry[0])/effTime
>
> "
>
>
>
> Ok, so x is self explanatory, 10.0001 is the two theta.
>
> What is y doing? 19829.1035 would make sense as the counts, but it is
> being multiplied by column zero for some reason? I assume dividing by
> effTime just makes it into counts per second, but what is the rest of it
> doing?
>
>
>
> If anyone can help me understand this table so I can parse it myself, I'd
> really appreciate it. Thank you.
>
>
>
> P.S. If anyone wants to use my software it is at
> https://bitbucket.org/pxrd-report/pxrd-report/src/master/ and I like to
> think is at the point it is giving quite usable reports.
>
>
>
> Dr. Matthew L. Brown  (he/him, they/them)
>
> Lab Technician V (Chemistry, Crystallography)
>
> Office: 250-807-8365
>
>
>
> UBC School of Engineering
>
> 1540 Innovation Dr.
>
> Kelowna, BC
>
> V1V 1V7
>
>
> _______________________________________________
> GSAS-II mailing list
> GSAS-II at aps.anl.gov
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>


-- 
Carlo U. Segre (he/him) -- Duchossois Leadership Professor of Physics
Professor of Materials Science & Engineering
Director, Center for Synchrotron Radiation Research and Instrumentation
Illinois Institute of Technology
Phone: 312.567.3498
segre at iit.edu   http://phys.iit.edu/~segre   segre at debian.org
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