Re: [ccp4bb] too good R/Rfree with resolve

2008-03-31 Thread Clemens Vonrhein
On Sun, Mar 30, 2008 at 07:08:14PM +0100, Partha Chakrabarti wrote: Is it by any chance that the FOMs were highly overestimated and that creates a problem with Maximum likelihood? That sort of reminds me of what I had heard for SHARP-solomon in a couple of instances.. The FOMs are never used

Re: [ccp4bb] too good R/Rfree with resolve

2008-03-31 Thread stefano ricagno
of over-refinement?), or in this case better say tautology. stefano Date: Mon, 31 Mar 2008 16:50:13 +0100 From: [EMAIL PROTECTED] Subject: Re: [ccp4bb] too good R/Rfree with resolve To: CCP4BB@JISCMAIL.AC.UK On Sun, Mar 30, 2008 at 07:08:14PM +0100

Re: [ccp4bb] too good R/Rfree with resolve

2008-03-30 Thread Partha Chakrabarti
Hi, Just a newbie question: Could someone explain what might have gone wrong in this case? I guess the structure factors should not change anyway! I am a bit confused because I have used solve resolve several times for experimental phasing, never had such a problem, on the other hand, have not

Re: [ccp4bb] too good R/Rfree with resolve

2008-03-30 Thread Thomas C. Terwilliger
Hi Partha, It sounds to me as though the amplitudes that were given to resolve as FP may have been calculated ones. The FP and SIGFP written out by resolve are normally the same as those that are input, and so you can use them in refinement in most circumstances. You are always safest to do as

[ccp4bb] too good R/Rfree with resolve

2008-03-28 Thread stefano ricagno
Dear CCP4bb readers, this is my problem: I solved a structure by MR: the solution was easily found (molrep, phaser and balbes found always the same one), density looked generally reasonable (however in several places it was dubious) but R/Rfree were stuck at 42/47%. Then I tried some density