Jonathan C. Burley and co-workers from the UK demonstrate, for the first time, the application of Principal Component Analysis (PCA) to the analysis of time-resolved energy-dispersive X-ray diffraction data. Such a new strategy for the analysis of large sets of diffraction data is needed with the increasing use of in situ diffraction for following a variety of chemical processes. PCA is shown to offer significant advantages over traditional curve-fitting methods in terms of speed and lack of potential user bias.
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The application of statistical methodology to the analysis of time-resolved X-ray diffraction data
Jonathan C. Burley, Dermot O’Hare and Gareth R. Williams
Anal. Methods, 2011, Advance Article
DOI: 10.1039/C0AY00772B