Re: [ccp4bb] refmac, twin - really low Rfactors

2008-08-14 Thread Garib Murshudov
Hi all One should be aware of some stats about twinning (and in general): 1) If you have perfect hemihedral twinning and no correlated rotational NCS then random R factors are around 40 instead of Luzzati's 58. 2) If you have perfecthemihedral twinning and you are not modelling twin then r

Re: [ccp4bb] refmac, twin - really low Rfactors

2008-08-14 Thread Dirk Kostrewa
Hi Wim, Am 14.08.2008 um 13:53 schrieb Wim Burmeister: ... Twinning has two effects: The effective ration of observations/variables decreases with increasing twinning fraction. ... I don't know how REFMAC5 handles twinning, but if the structure is simply split into two identical parts, eac

Re: [ccp4bb] refmac, twin - really low Rfactors

2008-08-14 Thread Wim Burmeister
Jan Abendroth a écrit : Hi all, kind of a weird problem - the R-factors of a refinement using the new twin refinement in refmac are low, almost suspiciously low: A good 1.9AA data set, space group H3/R3, many statistics starting with truncate's cumulative intensity distribution clearly suggest

[ccp4bb] refmac, twin - really low Rfactors

2008-08-13 Thread Jan Abendroth
Hi all, kind of a weird problem - the R-factors of a refinement using the new twin refinement in refmac are low, almost suspiciously low: A good 1.9AA data set, space group H3/R3, many statistics starting with truncate's cumulative intensity distribution clearly suggest twinning. The structu