Dear D.L.,
I suspect the issue is in determining the correct space group. Sharing the
Rmerge and current space group would be useful.
Take Care,
Sean
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Dear all
I've got a 3A dataset processed with mosflm and scaled. I've runned MOLREP that
gave a solution with a score of 0.52. At this stage the Rfactor was 44%.
After my first round of refinement with REFMAC i've got both Rfactor and an
Rfree at about 43%. After model building and several refi
Dear all
Those of you who attended the CCP4 Study "Weekend" at Warwick
University this week (either in vivo or in silico), and who stayed to
the end will remember Roberto Steiner's suggestion that some of the
younger members of the audience may wish to become involved in
software developm
Thanks George! I didn't feel remotely qualified to describe how SHELX
works, and that is why I didn't.
On 1/7/2011 3:11 PM, George M. Sheldrick wrote:
Dear James,
I did once write a refinement program so I should try to answer your
question. All hydrogen atoms attached to C and N in standard
