Hello all,
To model the contribution of a sample cap to the XRD pattern, I've created a peaks phase. I performed several Rietveld quantifications on XRD scans of my samples including the peaks phase in GUI mode and this works well. However, I'm now trying to perform these quantifications in Launch mode for in-situ measurement data and this has led to an error with the script component defining the peaks phase. This part of the script looks as follows:
pk_grp phase_name "Peaks Phase:0"
xo_Is
xo 25.69490427
LVol_FWHM_CS_G_L( 1, 24.0955812, 0.89, 33.68583289,,,@, 37.84925044)
I @ 22.66444039
peak_type fp
xo_Is . . . etc.
The error message has to do with the component pk_grp and reads as follows:
*** Error loading sstring_in at
{ pk_grp }
unknown or misplaced keyword.
at LINE 92
See log file C:\TOPAS6\topas.log
Could it be that this command is not defined in Topas - at least in my version - or am I missing some additional definitions? The command pk_grp itself does appear in the text-version of the GUI mode refinement and it is also used in the book by Dinnebier et al. (Rietveld Refinement, page 144). Has anyone come across a similar issue? Thank you!
Julian