RETRIEVE - a system for XRPD phase and structure analysis

Описание

Тип публикации: статья из журнала

Год издания: 2009

Идентификатор DOI: 10.1524/zksu.2009.0030

Ключевые слова: X-ray powder diffraction, Standardless Quantitative Phase Analysis, Derivative Difference Minimization, Genetic Algorithm

Аннотация: An integrated retrieval system RETRIEVE oriented on qualitative and standard-less quantitative phase and structure XRD analysis of powder patterns has been developed. The system has some original features. A derivative difference minimization (DDM) method and two-level Genetic Algorithm (GA) combined with DDM are intended for direcПоказать полностьюt space searching and prediction of crystal structure models and structure refinement. A search/match based on problem oriented query language was developed for phase identification of complex powder patterns. Three modernized methods of standardless quantitative phase analysis are employed. Applications of these methods are demonstrated on Search-Match Round Robin - 2002 and Round Robin on Quantitative Phase Analysis - 1998 data.

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Издание

Журнал: ZEITSCHRIFT FUR KRISTALLOGRAPHIE

Выпуск журнала: Part1

Номера страниц: 209-214

ISSN журнала: 00442968

Место издания: MUNICH

Издатель: OLDENBOURG VERLAG

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