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
>
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