Hi,
I really enjoy your arguing ... The cell got by Topas is correct and the
other programs fail to support this idea. Try ITO ... if you have at least
20 peaks.
Back to real life where gems do not rule. To check a cell I can
only recommend a standalone program nicknamed "LePage", which is really
good. A good trick I frequently use is to take any working input to
Platon in any format, edit the cell and run it with Calc all. Of course,
you will get a lot of rubbish, but at the very beginning there's also a
good cell analysis.
A hint : if you have troubles with a cell, why not to post it :-) ?
Happy indexing,
lubo
On Mon, 3 Mar 2014, Young, Lindsay wrote:
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!
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Please do NOT attach files to the whole list <alan.he...@neutronoptics.com>
Send commands to <lists...@ill.fr> eg: HELP as the subject with no body text
The Rietveld_L list archive is on http://www.mail-archive.com/rietveld_l@ill.fr/
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
