Robust powder auto-indexing using many peaks

Abstract

A new powder auto-indexing method for theCONOGRAPHsoftware [Oishi-Tomiyasu (2013).Acta Cryst.A69, 603–610] can carry out exhaustive powder auto-indexing in a short time, even if theqvalues of many peaks are used, with sufficient consideration given to their observational errors. This article explains that the use of manyqvalues is essential to make powder auto-indexing robust against dominant zones and missing or false peaks in the input. Results fromCONOGRAPHfor 25 real diffraction patterns, including difficult cases, are presented. Owing to a sorting criterion for zones defined in the previous article, the computation times were reduced by a factor of between 18 and 250, and exhaustive powder auto-indexing was completed in 5 min at most.