pascal
Hello everyone,
I am trying to switch from using fullprof for sequential refinements to doing it with TOPAS via powder3dparametric, also due to the implemented parametrisations...
If there is anybody out there doing this could you maybe help me on the following 2 issues:
1) How do I make powder3dparamtric report rietveld plots after each refinement in the list. Or how can I modify the Out_Yobs_Ycalc_and_Difference report to include all plots?
2) In the manual to powder3dparametric (page 26) it says one can use the OUT macro of Topas to generate tables of the refined parameters. What is the syntax for this to include all parameters from all seq. refinements?
Many thanks to all of you!
Pascal
johnsoevans
Pascal,
Just saw this question never got answered - sorry!
I'm not sure how Robert's code writes input files. In general though you can output any plots you want in either a sequential or parametric refinement using the various output commands in topas. I think they're in the wiki under "creating publication quality Rietveld plot" or something similar.
In version 5 the command for outputting all parameters is: out_prm_vals_on_convergence $file
I'm not sure if this is in v4 - I think it is.
John