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Dear James,
your explanation is the background of the strong advice to always
build as much as possible before running the next refinement cycle.
I've seen directories with way more than one hundred runs of refmac
and don't want to know what has been
John, can you give me a good reference on this?
-- Ian
On 21 November 2012 07:32, Jrh wrote:
> Ian, yes absolutely but your very description of where the unit cells are
> not identical is NOT the situation where we see fractional occupancy
> moieties. In such cases a large fraction of the unit
I wouldn't expect there is an exact ratio between occupancy and B factor?
atomic density is ~ occ*formfactor * exp(-b s**2)
Eleanor
On 20 Nov 2012, at 09:49, Jim Brannigan wrote:
> As an adjunct to B-factor vs occupancy thread, i might expect the b-factor to
> halve if the occupancy is set t
