BGMN: what files are there

(all features are described in BGMN.de; I am rehashing what the experts are saying over there;
the flexibility is apparent as the language is structured and free-styled; but, the variables are case-sensitive)

One of the main nice features, in my opinion, is the calculated instrument profiles at various 2theta values.  These profiles are further interpolated.  To generate these profile files, an instrument .sav file (which you can open with notepad) is needed. you'll see that the instrument setup file, .sav, and two profile files are needed for the refinement.  Certainly, if you don't have any profile, you still can do the refinement, and the error can come out of this.

So what files are needed to do the refinement?

Here is a look at one of the exercise folders.  There are two rows of files; the top row has two .str file, one .sav file, and one .val file; the bottom row has three files with the same name, and they are for the instrument profiles.

The .val file is the measurement file from your diffractometer.  It is simply a file telling you the diffracted x-ray intensity.  The two .str files are the mineral structures, in our example, the structures of quartz and barite.  The top row .sav file, BariteQuartz.sav, is a control file, containing instructions you are telling the program how to run the refinement.

My guess is that Dr. Kleeberg wrote these files; all of them are documented super well.  Let me open the  BariteQuartz.sav file.

the measurement data file looks like this

 

the structure file, quartz.str, is here;