Hello everyone,
I am using GSAS for refinement of a zeolite + template assembly. During
the 1st few cycles of the refinement, the calculated peaks I am getting
are very small although apparently in the right positions. The difference
between the observed and calculated intensities is almost an or
il Pophale [mailto:[EMAIL PROTECTED]
Sent: Friday, December 14, 2007 2:02 PM
To: rietveld_l@ill.fr
Subject: scaling up the calculated peaks
Hello everyone,
I am using GSAS for refinement of a zeolite + template assembly. During
the 1st few cycles of the refinement, the calculated peaks I am g
Try turning off the scale factor refinement and
setting the scale factor by hand to a value that gives you reasonable
peaks.
Run powpref and then genles, and view in liveplot.
Once you are close, turn the scale factor back on.
Hope this helps,
David Lee, Ph.D.
SMRL, The Ohio State Universit
