Published in

International Union of Crystallography, Journal of Applied Crystallography, 4(33), p. 1180-1186, 2000

DOI: 10.1107/s0021889800006427

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New techniques for indexing:N-TREORinEXPO

This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Data provided by SHERPA/RoMEO

Abstract

Indexing of a powder diffraction pattern is still a critical point in procedures aiming at solving crystal structures from powder data. New code has been associated to the programTREOR90 in order to define an efficient peak search procedure, to modify the crystallographic decisions coded intoTREOR90 to make it more exhaustive, to refine the selected unit cell automatically, and to make the entire procedure user friendly,viaa graphical interface. The new program, calledN-TREOR, has been integrated into the packageEXPOto create a suite of programs able to provide a structural model from the analysis of the experimental pattern.N-TREORis also available as a stand-alone program.