DISVAR93: A software package for determining systematic effects in X-ray powder diffractometry

Abstract

DISVAR93 is a collection of programs devised to process XRPD patterns with the aim of determining the parameters of systematic instrumentation and sample effects. These effects have an influence on data uncertainty and also accuracy of the adopted models describing diffraction phenomena. Such modeling is carried out through the mathematical X-ray powder-diffraction theory, while parameter optimization is achieved by using the additive property of X2 and constraining the models to converge simultaneously to the same minimum in a restrained Hilbert's space. The package has been designed to allow both user interaction as well as automatic linking of programs managed by one main menu and offer several options to satisfy individual user requirements.