Hello,
I'm having an issue where the refinement will run several iterations with decreasing Rwp, then on say the 4th iteration the Rwp will increase slightly and Topas will break out of the loop. Two problems with this:
- Topas will output the parameters for the higher Rwp (4th iteration rather than 3rd).
- If I accept the new parameters and rerun the refinement several times, it will converge on a much lower Rwp. I'm intending to call this refinement via the command line for a large number of slightly different patterns, so I can't be manually running the refinement multiple times for each pattern.
I don't believe the refinement is exiting due to meeting the chi2 convergence criteria (since I've tried putting that to a super low value and it doesn't affect the behavior), but instead due to the last iteration increasing in Rwp it seems to break out of the loop.
Thanks for the help,
Dylan