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Measured Intensities (measured + intensity)
Selected AbstractsA standardless X-ray diffraction method for the quantitative analysis of multiphase mixtures.JOURNAL OF APPLIED CRYSTALLOGRAPHY, Issue 5 2002In 1987, Rius, Plana & Palanques [J. Appl. Cryst. (1987), 20, 457,460] devised an X-ray powder diffraction method based on the `least-squares' determination of calibration constants using only the diffracted intensities and the calculated absorption coefficients of the components. This method was developed for `infinitely thick' samples, a condition which is seldom met by airborne particulates because of the small amount of material normally available. Since the analysis of such samples may become one of the principal applications of the method, this condition represents a serious limitation. The simplest way to overcome this limitation is by correcting the measured intensities. This can be done either by direct measurement of the sample transmission, or alternatively, by using refined transmission values. In the latter case no experimental values are necessary. With the help of some test calculations, the viability of both possibilities has been explored. [source] Application of the parametric bootstrap method to determine statistical errors in quantitative X-ray microanalysis of thin filmsJOURNAL OF MICROSCOPY, Issue 1 2007ALDO ARMIGLIATO Summary We applied the parametric bootstrap to the X-ray microanalysis of Si-Ge binary alloys, in order to assess the dependence of the Ge concentrations and the local film thickness, obtained by using previously described Monte Carlo methods, on the precision of the measured intensities. We show how it is possible by this method to determine the statistical errors associated with the quantitative analysis performed in sample regions of different composition and thickness, but by conducting only one measurement. We recommend the use of the bootstrap for a broad range of applications for quantitative microanalysis to estimate the precision of the final results and to compare the performances of different methods to each other. Finally, we exploited a test based on bootstrap confidence intervals to ascertain if, for given X-ray intensities, different values of the estimated composition in two points of the sample are indicative of an actual lack of homogeneity. [source] On R factors for dynamic structure crystallographyACTA CRYSTALLOGRAPHICA SECTION A, Issue 5 2010Philip Coppens In studies of dynamic changes in crystals in which induced metastable species may have lifetimes of microseconds or less, refinements are most sensitive if based on the changes induced in the measured intensities. Agreement factors appropriate for such refinements, based on the ratios of the intensities before and after the external perturbation is applied, are discussed and compared with R factors commonly applied in static structure crystallography. [source] Estimates of the twinning fraction for macromolecular crystals using statistical models accounting for experimental errorsACTA CRYSTALLOGRAPHICA SECTION D, Issue 11 2007Vladimir Y. Lunin An advanced statistical model is suggested that is designed to estimate the twinning fraction in merohedrally (or pseudo-merohedrally) twinned crystals. The model takes experimental errors of the measured intensities into account and is adapted to the accuracy of a particular X-ray experiment through the standard deviations of the reflection intensities. The theoretical probability distributions for the improved model are calculated using a Monte Carlo-type simulation procedure. The use of different statistical criteria (including likelihood) to estimate the optimal twinning-fraction value is discussed. The improved model enables better agreement of theoretical and observed cumulative distribution functions to be obtained and produces twinning-fraction estimates that are closer to the refined values in comparison to the conventional model, which disregards experimental errors. The results of the two approaches converge when applied to selected subsets of measured intensities of high accuracy. [source] | ||||||||||