A method and system for indexing powder diffraction data (200) are disclosed comprising choosing a maximum impurity peak tolerance level (204) 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 (206, 208), selecting a crystal system to search (210), selecting powder extinction classes (214) to search for indexing solutions, performing an exhaustive unit cell search of each of the selected powder extinction classes (214) using a successive dichotomy approach (218) to determine a set of indexing results, and ranking the obtained solutions according to likelihood.
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