Hello all - I've gotten stuck at a point in my data refinement, I'd appreciate it if someone has any suggestions for me.
I have been trying to index high pressure data. It was collected using a diamond anvil cell with a 2d detector. I integrated the data on GSAS II, using the penetration correction. I opened this data on Jade to do peak fitting, and indexed the resulting peak list in Topas. I managed to get a reasonable monoclinic cell - but it is not in standard cell notation - the angle for beta is 142 degrees, and I would like see this cell represented such that is between 90 and 130 degrees. I tried indexing this peak list in Treor and Dicvol, with no results. I then tried putting the unit cell from Topas into hklgen, taking the peaks it generated (which do match those in the pattern), and indexing them with Treor and Dicvol, but neither program turns out any results. I did tweak the standard settings of both programs to try to get results, but this was not successful. The idea is, if we can get the same result in another program as we did in Topas, it could further show that the result is correct. Does anyone know how I can convert this cell? Is there a unit cell reduction program I could use? If you need any additional information please let me know!
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