International
Tables for Crystallography Volume H Powder diffraction Edited by C. J. Gilmore, J. A. Kaduk and H. Schenk © International Union of Crystallography 2018 |
International Tables for Crystallography (2018). Vol. H, ch. 2.5, p. 123
Section 2.5.2.4.3. Transformation from detector space to reciprocal space^{a}Bruker AXS Inc., 5465 E. Cheryl Parkway, Madison, WI 53711, USA |
Reciprocal-space mapping is commonly used to analyse the diffraction patterns from highly oriented structures, diffuse scattering from crystal defects, and thin films (Hanna & Windle, 1995; Mudie et al., 2004; Smilgies & Blasini, 2007; Schmidbauer et al., 2008). The equations of the unit-vector calculation given above can also be used to transform the diffraction intensity from the diffraction space to the reciprocal space with respect to the sample coordinates. The direction of the scattering vector is given by the unit vector h_{s}{h_{1}, h_{2}, h_{3}} and the magnitude of the scattering vector is given by , so that the scattering vector corresponding to a pixel is given byThe three-dimensional reciprocal-space mapping can be obtained by applying the normalized pixel intensities to the corresponding reciprocal points. With various sample orientations, all pixels on the detector can be mapped into a 3D reciprocal space.
References
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