Re: [ccp4bb] Twinning and Free R set generation

2011-07-04 Thread Eleanor Dodson
This is a problem not properly addressed - if you generate your FreeRflags in the highest possible Laue group for a system - eg P6/mmm if you SG is trigonal, then add these to the lower symmetry reflection list you are safe. It really should be done at the pointless stage but it isnt.. Here i

[ccp4bb] Twinning and Free R set generation

2011-07-04 Thread Peter Vidani
Hi all, I am worried about mixing working and free reflexions during TWIN refinement. Is there any keyword in UNIQUEIFY to generate a R-free flag in the case of twinning? I mean in that way that the possible twinning operators are taken into account for a following refmac job using the TWIN k

[ccp4bb] Twinning and Free R set generation

2011-07-04 Thread Peter Vidani
Hi all, I am worried about mixing working and free reflexions during TWIN refinement. Is there any keyword in UNIQUEIFY to generate a R-free flag in the case of twinning? I mean in that way that the possible twinning operators are taken into account for a following refmac job using the TWIN k