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 University
Dept. of Materials Science and Engineering
2041 College Rd
Columbus, OH 43210
(614)-688-3182
On Dec 14, 2007, at 3:01 PM, Ramadas Sunil Pophale wrote:
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 order of
magnitude. Refining the profile type and coefficients is not making
much
of a difference. Since I have no clue as to why there is such a
difference, I wanted to simply scale up the calculated values to see
how they match up with the observed peaks. I tried using powplot and
liveplot, but could not figure out a way to do it. Is such thing
possible
with GSAS?
Thanks for your attention.
Regards,
Ramdas Pophale.
ps: I am using the template as part of the phase with bond
constraints. Is
it reasonable to refine the template along with the zeolite in the
early
stages?
