Re: [ccp4bb] R-factors from SfCHECK versus R-factors from PHENIX

2014-01-16 Thread Eleanor Dodson
SFCHECK is a very quick and dirty report generator -

On 15 January 2014 21:42, Pavel Afonine pafon...@gmail.com wrote:
 Hi Ursula,

 you will find answers here:
 http://www.phenix-online.org/papers/he5476_reprint.pdf

 Pavel


 On Wed, Jan 15, 2014 at 1:38 PM, Ursula Schulze-Gahmen
 uschulze-gah...@lbl.gov wrote:

 I am submitting a structure to the PDB database. The SfCHECK summary
 report provided by the PDB validation shows an R-factor for model vs
 structure factors of 0.32, while the R-factor from the refinement program
 PHENIX is 0.21. I am not familiar with SfCHECK, but I am puzzled how these
 programs can calculate such different R-factors. I would be thankful for
 some explanation.

 Ursula

 --
 Ursula Schulze-Gahmen, Ph.D.
 Assistant Researcher
 UC Berkeley, QB3
 356 Stanley Hall #3220
 Berkeley, CA 94720-3220
 (510) 642 8766




Re: [ccp4bb] R-factors from SfCHECK versus R-factors from PHENIX

2014-01-15 Thread Pavel Afonine
Hi Ursula,

you will find answers here:
http://www.phenix-online.org/papers/he5476_reprint.pdf

Pavel


On Wed, Jan 15, 2014 at 1:38 PM, Ursula Schulze-Gahmen 
uschulze-gah...@lbl.gov wrote:

 I am submitting a structure to the PDB database. The SfCHECK summary
 report provided by the PDB validation shows an R-factor for model vs
 structure factors of 0.32, while the R-factor from the refinement program
 PHENIX is 0.21. I am not familiar with SfCHECK, but I am puzzled how these
 programs can calculate such different R-factors. I would be thankful for
 some explanation.

 Ursula

 --
 Ursula Schulze-Gahmen, Ph.D.
 Assistant Researcher
 UC Berkeley, QB3
 356 Stanley Hall #3220
 Berkeley, CA 94720-3220
 (510) 642 8766