Method of rapidly screening x-ray powder diffraction patterns

摘要: A method for rapidly screening multiple X-ray powder diffraction patterns, such as those generated through combinatorial chemistry, has been developed. The is directed toward measuring patterns of a set samples, factoring the using suitable statistical technique into small number discrete components or factors, determining scores corresponding to factors each pattern, and plotting scores. graphs are then inspected clusters, trends, outliers, which may represent new material or, perhaps, faulty data.