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