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Figure 2
Screenshot of a Mathematica script for determining the individual atomic form factor for fixed-wavelength data for atoms ranging from order number 1 (H) to 92 (U) [e.g. iron (Z = 26) is shown here]. Upper chart: absolute form factor without correction for anomalous scattering (red line), corrected for anomalous scattering (blue line), corrected for Debye–Waller factor (introduced in Section 3[link]) (red dashed line), the real part of the anomalous dispersion coefficient (green line) and the imaginary part of the anomalous dispersion coefficient (orange line) depending on the scattering length s. Lower charts: real and imaginary parts of the anomalous dispersion coefficient and the complex phase shift introduced by the imaginary part of the anomalous dispersion coefficient. The non-accessible range for selected wavelength and angular ranges is shaded in gray.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 56| Part 3| June 2023| Pages 834-853
https://doi.org/10.1107/S1600576723002121
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