Re: [ccp4bb] Refinement with twinned data question

2011-10-02 Thread Yuri
1-So for my case, I should try and generate Rfree flags, in the higher apparent C 2 2 21 and not the real P 1 21 1, correct? 2-I noticed that if I used the output PHIC FOM data, the maps looked awesome! Too good almost... Thanks a lot On Sun, 2 Oct 2011 12:07:22 +0100, Garib N Murshudov wro

Re: [ccp4bb] Refinement with twinned data question

2011-10-02 Thread Garib N Murshudov
Dear Yuri 1) For twin refinement refmac internally changes free reflections so that twin related reflections belong to the same class (twin or working). However it would be good to generate free reflections in higher space group that would include twin and space group symmetries. 2) You should

[ccp4bb] Refinement with twinned data question

2011-10-01 Thread Yuri
Dear all, I have some questions about the correct protocol for refinement of twinned data (0.46) 1- How do I ensure that my Rfree set is generated properly? 2-I noticed that if I enable intensity based twin refinement, refmac estimates the correct twin fraction law -h,-k,h+l. But for subseque