Likelihood-based estimation of substructure content from single-wavelength anomalous diffraction (SAD) intensity data

Hatti, K.S.; McCoy, A.J.; Read, R.J.

doi:10.1107/S2059798321004538

Acta Crystallographica Section D
Acta Crystallographica
Section D STRUCTURAL BIOLOGY

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Figure 1
Comparison of exact and approximate probability distributions for the true normalized amplitudes conditional on the observed intensities. (a) Contour plot illustrating $[{\rm p} (E^+, E^- \semi Z_{\rm O}^+, Z_{\rm O}^-)]$ for ρ_± = 0. (b) Contour plot illustrating $[{\rm p}(E^+, E^- \semi E_{\rm e}^+, E_{\rm e}^-)]$ for ρ_± = 0. (c) Contour plot illustrating $[{\rm p} (E^+, E^- \semi Z_{\rm O}^+, Z_{\rm O}^-)]$ for ρ_± = 0.75. (d) Contour plot illustrating $[{\rm p} (E^+, E^- \semi E_{\rm e}^+, E_{\rm e}^-)]$ for ρ_± = 0.75. (e) Slices through the joint probability distributions at E⁻ = 1.25 for the cases shown in (a) (solid blue line), (b) (dashed blue line), (c) (solid orange line) and (d) (dashed orange line).

STRUCTURAL
BIOLOGY

ISSN: 2059-7983

Volume 77| Part 7| July 2021| Pages 880-893

https://doi.org/10.1107/S2059798321004538

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