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

["Eleanor J. Dodson" <ccp4@ysbl.york.ac.uk>]

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jjm wrote:
> 
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> 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

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Eleanor J.Dodson, York Structural Biology Laboratory,
                  Chemistry Department, 
                  University of York, Y01 5DD Heslington, U.K.
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