Anharmonic nuclear motion in charge-density studies
نویسندگان
چکیده
منابع مشابه
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Resolution independent residuals ) ( / ) ( o c o I I I σ ς − = should not show any discontinuities, when plotted against the resolution . The density of reflections per resolution range, however, changes with resolution, which limits the information value from these plots. Residuals plotted against ranked resolution values, should be uniform and are easy to interpret. These plots of individual ...
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In order to detect and graphically visualize the absence or presence of systematic errors in fit data, conditional probabilities are employed to analyze the statistical independence or dependence of fit residuals. This concept is completely general and applicable to all scientific fields in which model parameters are fitted to experimental data. The applications presented in this work refer to ...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations of Crystallography
سال: 2010
ISSN: 0108-7673
DOI: 10.1107/s0108767310093542