International
Tables for Crystallography Volume F Crystallography of biological macromolecules Edited by M. G. Rossmann and E. Arnold © International Union of Crystallography 2006 |
International Tables for Crystallography (2006). Vol. F. ch. 16.1, p. 334
Section 16.1.2.1. SIR differences
a
Institut für Anorganisch Chemie, Universität Göttingen, Tammannstrasse 4, D-37077 Göttingen, Germany,bHauptman–Woodward Medical Research Institute, Inc., 73 High Street, Buffalo, NY 14203-1196, USA, and cLehrstuhl für Strukturchemie, Universität Göttingen, Tammannstrasse 4, D-37077 Göttingen, Germany |
Given the individual normalized structure-factor magnitudes and the atomic scattering factors which allow for the possibility of anomalous scattering, then greatest-lower-bound estimates of SIR difference-E magnitudes are where is a least-squares-fitted empirical renormalization scaling function, dependent on , that imposes the condition and serves to define and .