Free R value

Peter Swaren peter at ecstasy.cemes.fr
Wed Jul 19 10:29:18 EST 1995


--Dear Everybody,

I'm refining a structure with 8800 independent reflections (81.4% completeness)
and resolution limit 2.32 A. In my model I now have all residues and 53
water molecules. The R-factor is 0.172 and R-free is 0.265 (at 2.32 A).
When I add waters both R and R-free decrease, but during refinement
(positional) only R decreases. When should I stop refinement? Right now or
when R-free doesn't decrease when adding waters? 

Thanks,

Peter

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PETER SWAREN
Groupe de cristallographie biologique du LPTF 

CEMES/CNRS			Tel: +33 62 25 79 63
29 rue Jeanne Marvig 		Fax: +33 62 25 79 60  
31055 TOULOUSE CEDEX 		E-mail: peter at ecstasy.cemes.fr 
FRANCE		
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