On 11/11/2011 11:31 AM, Andre Godoy wrote:
Hello everyone.
I'm a begginer in crystallography, especially in EP and I'm trying to solve a structure
by SAD. Right now I'm trying to solve the substructure on shelxD by running hkl2map, but
I'm finding hard to chose between solutions. So I'm asking, what should by my solution
criteria (CCall, number of diferent solutions, site occupancy, or something else...).
Also, how I can choose the HA sites number and resolution cut-off. Many
"tutorials" have different awnsers for those question, so I'm a little lost
right now. Any help will be apreciated!!
Best wishes to all
Andre Godoy
If you are lucky, and run SHELXE after SHELXD then the hand with the
best CC is probably the correct one.
The string SHELXC/D/E are automatically run together from the CCP4 GUI,
and if you look at the loggraph output you will see the contrast
(hopefully!)
Eleanor
