Re: [ccp4bb]:High and low B-factors

[Phil Evans <pre@mrc-lmb.cam.ac.uk>]

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The wavelength should be carried automatically - but tables are
unreliable near the absorption edge

It isn't used at present but should be


Phil

Eleanor J. Dodson writes:
 > 
 > jjm wrote:
 > > 
 > > Dear all,
 > > two questions concerning the f ' modification came up:
 > > 1. Because residue MSE is included in the CCP4-libraries and SAD is the
 > > method of choice very often,
 > > will the CCP4-developers include a wavelength-dependence of the SE-f
 > > factor in one of the next releases?
 > > 2. Would a crude workaround be to choose a lower occupancy (at the
 > > absorption edge of SE
 > >    occ=(34-8.3)/34) for SE  but not for CE in MSE?
 > > 
 > > Jürgen
 > 
 > 
 > It is easy to include the f' modification IF people religiously enter
 > the wave length of their experiment inthe mtz file. There is an option
 > to do this in the GUI ( see reflection utilities) or go through
 > mosflm/scala where it is taken from the image header I believe..
 > 
 > If people are prepared to do this then it is worth initiating automatic
 > upgrading of formfactors
 > 
 >  Eleanor
 > 
 > --