J. Appl. Cryst. (2003). 36, 220-229 [ doi:10.1107/S0021889802022628 ]
Abstract: A reflection intensity integration method is presented based upon ab initio calculation of three-dimensional (x, y, ![[omega]](/logos/entities/omega_rmgif.gif)
) reflection boundaries from a few physical crystal and instrument parameters. It is especially useful in challenging circumstances, such as the case of a crystal that is far from spherical, anisotropic mosaicity, ![[alpha]](/logos/entities/alpha_rmgif.gif)
12 peak splitting, interference from close neighbours, twin lattices or satellite reflections, and the case of streaks from modulated structures, all of which may frustrate the customary profile-learning and -fitting procedures. The method, called EVAL-14, has been implemented and extensively tested on a Bruker Nonius KappaCCD diffractometer.
Keywords: intensity evaluation; profile analysis; area detector; imaging plate.
Copyright © International Union of Crystallography
IUCr Webmaster