Re: [ccp4bb] Unit cell change - was Re: [ccp4bb] XDS question

2011-06-15 Thread Eleanor Dodson
It looks like a rhombehedral data set with small deviations from the exact H3 symmetry to give the weak spots. The standard H3 setting has origins at (0,0,0) (1/3, 2/3, 2/3) and (2/3,1/3,1/3) so to get your translation vector to match the conventional H3 one, you will have to reindex the P321

Re: [ccp4bb] Unit cell change - was Re: [ccp4bb] XDS question

2011-06-14 Thread George M. Sheldrick
You may well have a rhombohedral obverse/reverse twin. See Acta Cryst. B58 (2002) 477-481. George On Tue, Jun 14, 2011 at 03:07:40PM -0400, Edward A. Berry wrote: > I'm currently struggling with what I think is a variation on this theme, > would appreciate comments as to whether my thinking is re