Scaling should be the same in P222 vs. P212121. The only difference is
the exclusion of systematic absences. You may have run into some quirk
of Phaser in the way it handles multiple space groups vs. a single one.
On 07/09/12 14:06, Shya Biswas wrote:
Hi all,
I have a dataset that I scaled in p212121 with cell dimension a=28.9
b=67.1 and c=93.5 however I do not get a right MR solution with this.
So I went back and scaled it in p222 space group and asked phaser to
find the right spacegroup solution for it, this time phaser gave me
the right solution and in p212121 space group. By right solution I
mean the molecule is a dimer and has to be oriented in a particular
way, which I get only when I use p222 scaled data. I am puzzled and
would like to know if anyone can explain this.
thanks,
Shya
--
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All Things Serve the Beam
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David J. Schuller
modern man in a post-modern world
MacCHESS, Cornell University
[email protected]
