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data processing ...
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hola ccpquatro compadres
can l ask if anyone out there is
or would like to work on
coding a program to process diffraction images ?
(and favouring mosaic crystals, possibly very crowded images and
1. structure factors are calculated for a volume
of diffraction space.
(area of each pixel equals its reciprocal space volume !)
2. according to cell orientation
begin and refine as we do for structres the modelling of
(like atomic occupancy factors - thermal diffusion ?)
(bit like bulk solvent contribution)
cell lattice dimensions and mosaicity - both anisotropic
(like rigid body refinement with bond length variation,
tls analysis and overall atom temperature factors)
3. other radiation peaks, cosmic, Cu-beta, etc detected by
difference fouriers and treated appropriately.
multiple difraction patterns could possible be processed
or is this a nonsense ?
thanks in advance of your replies
<> Matthew S. Bennett <>
<> Kings College London <>
<> firstname.lastname@example.org <>
<> (0044) 171 465 5407 <>