Splitting multiple scan file to individual files

ahhill

Hi.

I am following the steps outlined on the Topas wiki regarding automated refinement.

Is there a way to force an output of each individual scan within a single file, e.g. a keyword with rangeuse number appended to Out_X_Yobs, leaving me with multiple files all numbered according to the scan number?

Ideally this would be in the original inp file, but could be in the bat file.

Thanks

Adrian

johnsoevans

Adrian,

Does the link below let you do what you want?

John

http://topas.dur.ac.uk/topaswiki/doku.php?id=concatenate_strings_in_input_file

alancoelho

Hi Adrian

I dont know what "rangeuse number" is but if reading a RAW file then the xdd dependent 'range' is available. Thus:

xdd_out OUT_PUT_FILE append load out_record out_fmt out_eqn
{
" %11.6f " = X;
" %11.6f\n" = Ycalc;
}

out OUT_PUT_FILE append
Out(Get(range))

Note, I added append in both cases
cheers
alan

ahhill

Thanks John and Alan.

Between you two I seem to have got there.

Adrian

rowlesmr

Hi John

This link just made my input files a lot easier to manipulate.

The ## command isn't mentioned anywhere in the Topas documentation that I can see.