Hi all,
After refining a structure with refmac, I decided to try CNS for the
final refinement and last parametrizations (as I am more familiar with
xplor-type parameters, than protin dictionary).
But I have problems I get a lot of rejected reflections, even using
sigma cutoff of zero and increase the rms Fobs (obs_rms) in order to
not reject anything at all...
Why is CNS rejecting so many reflections?(it is independent of resolution)
What should I do to include all the data?
I am running a simple anisotropic bulk solvent correction, positional and
bfactor.
My data are 96% complete, but at the end I always get:
theoretical 69728 100%
unobserved 2555 3.7%
reflections rejected 5047 7.2%
total reflections used 62126 89.1%
working set 59034 84.7%
test set 3092 4.4%
Thanks in advance,
Best regards,
Joao Miguel
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