-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Dear Remie,
the R-factor is a complicated thing that depends on things like weighting factors and solvent model - several things that are not part of your model and that need to be adjusted by the refinement program during refinement. That's why I think what you observe is pretty normal - I wouldn't worry. Best, Tim On 05/20/2014 06:55 PM, Remie Fawaz-Touma wrote: > Hi all, > > I am trying to refine a structure in CCP4 and the final R factor is > about 1% lower than the initial but for the first “task/cycle” > within the same refinement job in CCP4, R factor starts off higher > than the input data R factor. > > I have a structure with multiple sugars attached, I did the first > refinement after building the sugars with a lib file that worked > well and the R factor did go down significantly but every time I > try to refine again to lower it more, the above happens. > > Any suggestions? > > Thank you. > > Remie > - -- - -- Dr Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.12 (GNU/Linux) Comment: Using GnuPG with Icedove - http://www.enigmail.net/ iD8DBQFTfHwtUxlJ7aRr7hoRAo9lAKCqbUz1ceG6JY9BeX0SHPiz8wsneQCg0RGA WKG9cTujB6wbzMSzgxZNtd4= =O3jF -----END PGP SIGNATURE-----
