Hi Roni, Changing the spacegroup within a pointgroup in this way is fine. If you want to change the pointgroup you should take the sorted reflection file you put into Scala and reindex it and re-scale/merge - this will give you the correct number of reflections and is the correct thing to do conceptually.
Reindex will probably have given you a warning about reindexing merged reflections... ;o) You may find pointless helpful here, as it will also sort the data. If the pointgroup is 422 then it should also be spotted there - hope this is helpful. Cheers, Graeme 2008/6/17 Roni Gordon <[EMAIL PROTECTED]>: > I have used the CCP4 program "re-index" to add a screw axis before (e.g. > P6 -> P61, P2 -> P21), but never to change the point group (e.g. PG4 -> > PG422). > > I initially re-indexing the reflections without error, but refmac5 later > complained that there were too many reflections for the given asymmetric > unit; upon closer inspection, only the space group had changed, but the > number of reflections had not decreased as expected. > > Am I missing something obvious here? >
