Tables for
Volume B
Reciprocal space
Edited by U. Shmueli

International Tables for Crystallography (2006). Vol. B. ch. 2.3, p. 237   | 1 | 2 |


M. G. Rossmanna* and E. Arnoldb

aDepartment of Biological Sciences, Purdue University, West Lafayette, Indiana 47907, USA, and  bCABM & Rutgers University, 679 Hoes Lane, Piscataway, New Jersey 08854-5638, USA
Correspondence e-mail:


Effect of `sharpening' Patterson coefficients. (1) shows a mean distribution of [|{\bf F}|^{2}] values with resolution, [(\sin \theta)/\lambda]. The normal decline of this curve is due to increasing destructive interference between different portions within diffuse atoms at larger Bragg angles. (2) shows the distribution of `sharpened' coefficients. (3) shows the theoretical distribution of [|{\bf F}|^{2}] produced by a point-atom structure. To represent such a structure with a Fourier series would require an infinite series in order to avoid large errors caused by truncation.