Method and system for analyzing diffraction data from crystalline systems
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United States of America Patent
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Feb 22, 2005
Grant Date -
Feb 26, 2004
app pub date -
May 22, 2003
filing date -
May 24, 2002
priority date (Note) -
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Abstract
A method and system for indexing powder diffraction data are disclosed comprising choosing a maximum impurity peak tolerance level for a crystallography data search, choosing a range of number of calculated peaks for possible indexing solutions having a minimum number of peaks and a maximum number of peaks, selecting a crystal system to search, selecting powder extinction classes to search for indexing solutions, performing an exhaustive unit cell search of each of the selected powder extinction classes using a successive dichotomy approach to determine a set of indexing results, and ranking the obtained solutions according to likelihood.
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