Re: [ccp4bb] merohedral twinning problem

2008-08-11 Thread Eleanor Dodson
Se the twinning rules in http://www.ccp4.ac.uk/dist/html/twinning.html P3 pace group number space group point group possible twin operators 143 P3 PG3 -h,-k,l; k,h,-l; -k,-h,-l 144 P31 PG3 -h,-k,l; k,h,-l; -k,-h,-l 145 P32 PG3 -h,-k,l; k,h,-l; -

[ccp4bb] merohedral twinning problem

2008-08-08 Thread Kristof Van Hecke
Dear, Sorry for the off-topic question. I'm facing a (probably) merohedral twinning problem, regarding a small molecule. Using Xprep, I get a Hexagonal P-lattice with cell: 18.014 18.014 22.048 90.00 90.00 120.00 Mean |E*E-1| = 0.902 [expected .968 centrosym and .736 non-centrosym]