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
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.