If the space group is correct, it sounds to me this is strange
statistics
away from both an ideal untwined and a perfect twinned structure.
I do suggested the data should be checked if the I-->F was completed.
If used I as F, these two values sound reasonable.
<|I|^2>/(<|I|>)^2 = 3.2236 (2.0 for untwinned, 1.5 for twinned)
(<|F|>)^2/<|F|^2> = 0.6937 (0.785 for untwinned, 0.865 for twinned)
On Apr 2, 2008, at 8:33 AM, Qiang Chen wrote:
Hi all,
The data I am working on has a strong translation vector. The space
group
is C2221 and resolution is 2.3 angstrom. There are two molecules
per AU
with a pseudo-2-fold axis.
On the cumulative intensity distribution plot, the theor and obser
curves
totally do not overlap. I did "detect_twinning" from CNS, and there
is the
result:
<|I|^2>/(<|I|>)^2 = 3.2236 (2.0 for untwinned, 1.5 for twinned)
(<|F|>)^2/<|F|^2> = 0.6937 (0.785 for untwinned, 0.865 for twinned)
Does the result mean my data is not twinned?
Any suggestion will be highly appreciated.
Thank you!
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