Dear all, Instruction says: Anomalous groups refines the anomalous coefficients f' and f'' for anomalously scattering atoms such as Se or heavy metals; it is only appropriate if you have anomalous data (I+/I- or F+/F-). How do I indicate which atoms to be considered? Thank you for your help. Happy New Year. Pawel ____________________ Dr. Pawel Grochulski, D.Sc. Canadian Macromolecular Crystallography Facility (cmcf.lightsource.cahttp://cmcf.lightsource.ca/), Canadian Light Source Inc., 44 Innovation Boulevard, Saskatoon, SK S7N 2V3, Canada. Phone: +1 (306) 657-3538, Fax: +1 (306) 657-3535. Adjunct Professor of Pharmacy, College of Pharmacy and Nutrition, University of Saskatchewan (www.grochulski.comhttp://www.grochulski.com/) __________________________________________________________________________________________
Hi Pawel,
Dear all,
Instruction says: Anomalous groups refines the anomalous coefficients f' and f'' for anomalously scattering atoms such as Se or heavy metals; it is only appropriate if you have anomalous data (I+/I- or F+/F-).
How do I indicate which atoms to be considered?
you should know which atoms were anomalous scatterers from your diffraction experiment.. Then you can select atoms for which you want to refine f' and f'' as explained here (command line): http://www.phenix-online.org/documentation/refinement.htm#anch130 or whatever the GUI setup for this is. Pavel
participants (2)
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Pavel Afonine -
Pawel Grochulski