Ok, so I'm able to follow the simple rietveld refinement examples via jEdit from Professor Evans' website, so I believe I have everything for jEdit and TOPAS installed correctly. I am having some trouble getting my actual refinement to work in jEdit, however.

I'm trying to refine the lattice parameter of a cubic spinel that has been slightly doped, so the lattice parameter is minutely different from that of the stoichiometric material. Basically these are the steps I follow to perform my refinement in TOPAS (version 4.2, not academic), which has given good results:

1. Load .raw scan file and change order of Chubychev polynomial to order 5
2. Load my instrument settings for the instrument (right now they're saved as a .inp file) because the geometry is different from that which shows up normally in TOPAS (i.e. goniometer radius = 141.5 mm, not 217.5 mm, among other differences)
3. Select the option to correct for sample height under the Corrections tab
4. Change the LP factor in the Corrections tab from 90 to 0 (another instrument geometry thing)
5. Load an .str file of Silicon, which I add to my sample to act as an internal standard which I use to correct for sample height offset (exact peak position is critical to determining an accurate lattice parameter value)
6. Run a refinement
7. Uncheck the "use phase" option for Silicon.
8. In the Corrections tab, change sample height option from refine to fix (now that the sample height offset has been determined)
9. Load the .inp file for the stoichiometric version of my material (a cubic spinel), which already has information about atoms positions, space group, etc., as well as a starting point for the lattice parameter and crystallite size that is set to be refined.
10. Run a refinement and obtain the refined value of the lattice parameter (which is luckily only one value as the structure is cubic).

This analysis works great but is pretty tedious to teach to others working with me. I have been trying to replicate these steps in jEdit in an attempt to fully or partially automate the analysis, but am having difficulty figuring out whether or not selections I make from the Xinsert menus are actually having any effect on the scan file. I constantly get error messages along the lines of "cannot locate pk_to_Lam from riet_app_3 in data structures" after running the modified input file from jEdit in TOPAS. I have not had any insight as to what these errors mean.

Any guidance at all to help me with my refinement via jEdit would be greatly appreciated.