Crystal diffraction prediction and partiality estimation using Gaussian basis functions

Brehm, W.; White, T.; Chapman, H.N.

doi:10.1107/S2053273323000682

Acta Crystallographica Section A
Acta Crystallographica
Section A FOUNDATIONS AND ADVANCES

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Figure 3
Geometric explanation for equation (25)

for the expected wavenumber. Convergence, orthogonal to $[{\bf w}_{{\rm in}}]$ , and wavelength dispersion, in line with $[{\bf w}_{{\rm in}}]$ , are indicated as a box to highlight the shearing of the covariance when forming the correlated difference between $[{\bf w}_{{\rm in}}]$ and $[{\bf w}_{{\rm out}}]$ and their respective variances. It can be seen that the length of $[\Delta {\bf w}]$ projected onto $[{\bf w}_{{\rm in}}]$ is $[1-\cos{(\theta)}]$ , where $[\theta]$ is the angle of diffraction.

FOUNDATIONS
ADVANCES

ISSN: 2053-2733

Volume 79| Part 2| March 2023| Pages 145-162

https://doi.org/10.1107/S2053273323000682

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