This is correct - see http://xray.bmc.uu.se/usf/dataman_man.html#S27
At the time I wrote this (1993...), I was a recovering NMRtist and The Other
Gerard was doing a sabbatical in Uppsala and in fact in the office next to
mine. He pointed out that I had to do this and also provided code.
--The other other Gerard
On Thu, 14 Jul 2011, Edward A. Berry wrote:
If I recall correctly DATAMAN does Wilson scaling in which the scale
and B-factor are adjusted so the average reflection intensity in
resolution bins are the same. I suspect it may not be required if
all the data have been put on an approximately absolute scale by
e.g. truncate (although that doesn't adjust the B-factor).
If you do end up scaling your data in dataman, be sure to go back
to the original data for refinement once you solve the structure,
or your B-factors will not be right.
eab
Francis E Reyes wrote:
Hi all
Walking through multi xtal averaging with RAVE. I finally got a good
mask and optimized NCS for my xtal forms. However, in the CRAVE manual
I see this
- the reflections in the input MTZ files *MUST* have been put on the
same temperature factor scale prior to cross-crystal averaging (see
the DATAMAN manual on how to do this) !!!
Scale the separate datasets together? Wouldn't this just be a mess
since the crystal should be non isomorphous to each other?
Or does this say that within each dataset, all the data should be on
the same scale (which would be if I used scala to scale) ?
Am I interpreting this correctly?
Thanks!
F
---------------------------------------------
Francis E. Reyes M.Sc.
215 UCB
University of Colorado at Boulder
Best wishes,
--Gerard
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Gerard J. Kleywegt
http://xray.bmc.uu.se/gerard/ mailto:ger...@xray.bmc.uu.se
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The opinions in this message are fictional. Any similarity
to actual opinions, living or dead, is purely coincidental.
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