Anna Moliterni

TL;DR: SIR97 is the integration of two programs, SIR92 and CAOS, the first devoted to the solution of crystal structures by direct methods, the second to refinement via least-squares–Fourier procedures.

TL;DR: A variety of new algorithms and graphical tools aiming at strengthening the individual steps of the powder structure solution pathway are presented at EXPO2013 as discussed by the authors, with particular attention devoted to improving structural models provided by direct methods in ab initio approaches.

TL;DR: ExtRA and SIRPOW as discussed by the authors are two programs, one devoted to full powder pattern decomposition and the other devoted to the solution and refinement of crystal structures, which exploit the prior information obtained during the crystal structure solution process for improving the classical decomposition.

TL;DR: Expo2009 as discussed by the authors is the evolution of EXPO2004 and performs all the steps of ab initio structure solution by powder data: indexing, space-group determination, estimation of the reflection integrated intensities, structure solution, and model refinement by the Rietveld technique.

TL;DR: In this paper, the structure-factor amplitudes from a powder diffraction pattern are extracted using the Le Bail algorithm, and the program EXTRA is described, which is able reliably to estimate the structure factor in a fully automatic way.