ReX.Cell: a user-friendly program for powder diffraction indexing

Abstract

ReX.Cellis a novel software package dedicated to the automation of crystal cell indexing starting from powder diffraction data. The program aims to help both novice and experienced powder diffractionists overcome the practical difficulties encountered during powder data indexing, by offering a user-friendly highly interactive interface to classical indexing engines. The software provides a wizard-style approach, accompanying the user through all the typical steps of the indexing procedure: preliminary data processing, background subtraction, data smoothing, peak finding and finally autoindexing. Each step can be carried out automatically or fine-tuned through custom options; in either mode, algorithms and filters are applied in real time to the diffraction data, giving an immediate visual feedback. The program is written in the Java programming language and runs on several different operating systems; source code is provided to allow developers to add support for additional indexing programs and/or powder diffraction data formats.