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 to 0.5 (but I'm only a molecular > biologist....), if so how many > cycles of refmac would it take for the value to settle? My limited experience > is that it dosn't exactly halve but i do tend to use fewer cycles at later > stages of refinement? > > thanks > > Jim Brannigan
