[GSAS-II] Question about GSAS-II sourcecode

[Brown, Matthew]

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


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