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:[log in to unmask]
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