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![[Figure 3]](ba5142fig3mag.jpg)
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Figure 3
SAD probabilistic Harker diagram (adapted from McCoy, 2004  with notation as in Fig. 1). (a) Contour plot showing components of the PDF. The component P(F−*|H−*) is shown in blue contours centred on H−* (blue arrow) and the anomalous component P(F+obs|F−*, H+, H−*) is shown in red contours centred on H+ − H−*, the expected vector difference between F+ and F−*. The black and red circles indicate the observed structure-factor amplitudes for F− and F+, respectively. (b) The product of the two components in (a) is shown in magenta contours. (c) Three-dimensional plot of the value of the PDF under the black circle in (b). The likelihood is given as the integral of the height of the surface under the black circle. (d) Plot of the likelihood as a function of the occupancy of the substructure (increasing value of |H−*| and |H+ − H−*|). The maximum likelihood is marked with a dot. All other panels in this figure show the values of the parameters at the point of maximum likelihood. (e) The PDF for the phases of F−* is shown in magenta and the PDF reconstructed from the four HL coefficients is shown as a black curve. (f) Bar chart showing the relative values of the four HL coefficients A, B, C and D. |
![[Figure 3]](ba5142fig3.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
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