Re: [ccp4bb] R-free flag problem

2010-10-22 Thread Vinson LIANG
   96.0   46167    N/A 0.1475  0.1741  N/A    Thank you all for your suggestions, Best wishes, Vinson 发件人: Ed Pozharski 收件人: CCP4BB@JISCMAIL.AC.UK 发送日期: 2010/10/23 (周六) 12:07:48 上午 主 题: Re: [ccp4bb] R-free flag problem I must note that it is also

Re: [ccp4bb] R-free flag problem

2010-10-22 Thread Ed Pozharski
I must note that it is also interesting to know why the sfcheck produced the R-factor that is twice as high. Of course, the R/Rfree are not supposed to match precisely (as I recall, sfcheck uses Babinet bulk solvent correction which is presumably inferior to the mask-based approach), but 28.6 vers

Re: [ccp4bb] R-free flag problem

2010-10-22 Thread Tim Gruene
Dear Vinson, I would still be interested about what was the cause of the missing R-free flags and how you resolved it (I hope I did not miss an email). Kind regards, Tim On Fri, Oct 22, 2010 at 02:33:03PM +0800, Vinson LIANG wrote: > > > Dear all, > > > > > Thank you very much for your su

Re: [ccp4bb] R-free flag problem

2010-10-21 Thread Vinson LIANG
Dear all, Thank you very much for your suggestions. I try Pavel's easy method. Hopefully, the result from phenix.model_vs_data would be enough for PDB.   Best wishes,   Vinson     发件人: Pavel Afonine 收件人: PHENIX user mailing list 抄 送: Vinson LIANG 发送日期: 2010/10/22 (周五) 12:44:58 上

Re: [ccp4bb] R-free flag problem.

2010-10-21 Thread Tim Gruene
Dear Vinson, Liang have a look at the penultimate table from mtzdmp your_mtz_file.mtz where your_mtz_file.mtz is the mtz-file you are using to deposit/ for refinement. That second last table lists the columns which are present in your mtz-file, their types and names and should give a clue what

[ccp4bb] R-free flag problem.

2010-10-20 Thread Vinson LIANG
Dear all, Recently I deposited a structure to PDB. However, I was told >> The R value of SF check are different from your reported value. >> >> R work in SF check = 0.2859 >> your reported R work = 0.1474 >> Also there are no R free flags in your sending files, but you reported R >> fre