Menu ▾ ▴

#5 CRYLSQ centred lattice reflections

open
nobody
None
5
2004-02-24
2004-02-24
Anonymous
No

Because CRYLSQ uses cell centring symmetry to reduce the
structure factor summations to an assymetric unit, if you
have centred reflections still in the bdf archive, the
summations dont cancel to zero and you will be quite
suprised by how badly your refinements dont.

Of course you can remove those reflections, but should you
have to?

Discussion


Log in to post a comment.