International Tables for Crystallography

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Accurate data: mapping sample absorption and thickness effects
Stephen P. Best and Christopher T. Chantler. International Tables for Crystallography (2023). Vol. I [ doi:10.1107/S1574870720007673 ]

Abstract

The systematic and random errors associated with any measurement are dependent upon experimental design and directly, or indirectly, constitute a compromise between the physics of the measurement, the questions to be addressed and the beamtime available. The processing of experimental measurements to correct for instrumental and sample-dependent phenomena so as to obtain observations with a defined accuracy underpins any subsequent analysis and assessment of the reliability of the conclusions. Here, strategies for the correction and statistical analysis of experimental data are presented, yielding point-by-point estimates of the measured accuracy which can then be used to assess alternate models of the coordination geometry of the absorbing atom. A particular focus is placed on sample absorption and thickness effects. These methods are particularly valuable for the study of species at low concentration and sample forms lacking long-range order.


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About International Tables for Crystallography

International Tables for Crystallography is the definitive resource and reference work for crystallography. The multi-volume series comprises articles and tables of data relevant to crystallographic research and to applications of crystallographic methods in all sciences concerned with the structure and properties of materials.