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λ/2 contamination in X‐ray diffraction data – the impact of heavy atoms
Author(s) -
Gianopoulos Christopher G.,
Chua Zhijie,
Zhurov Vladimir V.,
Pinkerton A. Alan
Publication year - 2017
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s160057671700317x
Subject(s) - diffraction , wavelength , contamination , absorption (acoustics) , dispersion (optics) , x ray , bragg's law , optics , materials science , atomic physics , analytical chemistry (journal) , physics , chemistry , environmental chemistry , ecology , biology
The impact of very different values of f ′ and f ′′ and of absorption coefficients for the wavelengths λ and λ/2 for heavy elements, and the effect of the difference in wavelength dispersion on the profile of the corresponding Bragg reflections, are discussed with respect to the correction of diffraction data for λ/2 contamination. The impact on the results of four charge‐density studies is discussed.