tgrell Hello, Is there a way to do Indexing and LeBail/Pawley refinement in Topas 7 with the GUI? We are using the program for a while now and have been doing both these processes so far always with the GUI as it’s quite handy. However, after updating to Topas 7, this is only possible in the Launch mode using a text input files. When I prepare an input for a LeBail refinement in the GUI on an experimental PXRD I loaded and try to run it, instead the text input file which was loaded last in Launch mode is run instead (a completely different project I worked on before). I tried to empty launch_file.txt in the program folder, but in that case the program requests a text input file and doesn’t run the fil I set up in the GUI. Is there a way to simply do the for instance a LeBail refinement as it was possible in Topas 5 and below? Working with the text input file in Launch mode works of course. However, after convergence I can see the fit of the PXRD pattern, the optimized parameters are not shown in the GUI. We use Topas 7 Academic 64, version 7.17. Thanks a lot, and best regards, Toni
alancoelho I think you may have TOPAS-Academic which means there is no GUI mode. The tutorial at http://community.dur.ac.uk/john.evans/ta_tutorials/html/pbso4-indexing/pbso4-indexing.html may help in doing indexing in Launch mode.
tgrell Ok. I assumed that would still work as the interface is practically unchanged. Thank you very much, Toni
rowlesmr As a shortcut, you can use the GUI to set up a refinement, and then export that to an INP file. You can then load exported file through Launch->Set INP file and run it that way. From this point on, you need to be working with the INP file.