THE ANALYTICAL CALCULATION OF ABSORPTION IN MULTIFACETED CRYSTALS

Authors
Citation
Rc. Clark et Js. Reid, THE ANALYTICAL CALCULATION OF ABSORPTION IN MULTIFACETED CRYSTALS, Acta crystallographica. Section A, Foundations of crystallography, 51, 1995, pp. 887-897
Citations number
15
Categorie Soggetti
Crystallography
ISSN journal
01087673
Volume
51
Year of publication
1995
Part
6
Pages
887 - 897
Database
ISI
SICI code
0108-7673(1995)51:<887:TACOAI>2.0.ZU;2-D
Abstract
The exact analytic method of evaluating the absorption during scatteri ng in multifaceted convex crystals is developed in a way that permits efficient computation. A fast and accurate algorithm is given for find ing the Howells polyhedra whose determination is fundamental to the an alytic method. The algorithm allows for the evaluation of cases when t he sample is only partly illuminated, can be adapted to more general s ituations and can be used to generate an estimate of the error in the computation. In most cases this is to 1 part in 10(14). Results of sta ndard tests are given to greater accuracy than previously available an d results for multifaceted approximations to a cylinder and a sphere a re given to illustrate the power of the method.