Design and understanding of solid-state and crystalline materials
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Communication
CrystEngComm, 2008, 10, 1321 - 1324, DOI: 10.1039/b812395k
A reliable methodology for high throughput identification of a mixture of crystallographic phases from powder X-ray diffraction data
Laurent Allan Baumes, Manuel Moliner, Nicolas Nicoloyannis and Avelino Corma
Because the inherent complexity of zeolites together with the use of high throughput technology make the performance of existing solutions for the automatic identification of mixture of crystallographic phases questionable, an adequate full profile search-match approach is presented, and its reliability is clearly demonstrated and illustrated on the very complicated case of the zeolite ITQ-33.
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