Dear Kang,
In addition to theoretical considerations, you may want to have a look
at Pointless:
http://www.ccp4.ac.uk/prerelease_page.php#pointless
Just integrate data with Mosflm and run Pointless before Scala (you may
also want to integrate data in P1).
If you want to try to import unmerged data from Denzo, you can do it
using CCP4i ("data reduction" menu) and then try to run Pointless.
Maybe it gives you useful information.
Ricardo
linwoo kang wrote:
Dear all
Recently I collected a dataset, which is rhombohedral on indexing
screen of HKL2000.
I processed the dataset as R3 and R32 at synchrotron.
But I realized it can be H3 or H32. Is it correct?
Cell dimensions are a=b >< c and alpha=90, beta=90, and gamma=120.
For me, synchrotron is only place to index and scale data.
Can I just change space group at CCP4i from sca file processed by R3
into H3 space group or so?
Because cell dimensions are same, maybe indexing can be same.
Accordingly just scaling can be enough for changing space groups but I
am still concerned about completeness and rejected spots, which can be
different at different space groups.
Please advise me! Thanks.