论文标题

数据质量和模型参数对通过Rietveld方法的X射线衍射数据定量阶段分析的影响

The effect of data quality and model parameters on the quantitative phase analysis of X-ray diffraction data by the Rietveld method

论文作者

Rowles, Matthew R.

论文摘要

X射线粉末衍射数据的质量以及可通过Rietveld方法对它们对定量期分析(QPA)的影响进行了研究的质量和类型,使用了从QPA round Robin的两个样品收集的数据[Madsen等。 J. Appl。水晶。 (2001),34,409-26]。从这些对这些最佳案例标本的分析中,提出了一系列有关数据收集和分析标准标准的建议。希望这些能够帮助新的QPA by-rietveld用户进行分析。

The quality of X-ray powder diffraction data and the number and type of refinable parameters have been examined with respect to their effect on quantitative phase analysis (QPA) by the Rietveld method using data collected from two samples from the QPA round robin [Madsen et al. J. Appl. Cryst. (2001), 34, 409-26]. From these analyses of these best-case-scenario specimens, a series of recommendations for minimum standards of data collection and analysis are proposed. It is hoped that these will aid new QPA-by-Rietveld users in their analyses.

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