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Figure 4
The left-hand column shows data set 2 and the right-hand column shows data set 4. The blue bars refer to positive weighted residuals and the orange bars to negative. The first pair of bars in each plot displays the fraction of positive and negative residuals. A 3σ error bar is attached to the positive values, which indicates the range of statistical fluctuations according to a random-walk process with the same probability for positive and negative steps. The pair of bars in the middle of each plot display the mean values of the positive residuals and of the absolute value of the negative residuals. These mean values should be consistent within statistical fluctuations. The range of statistical fluctuations is given by the error bars. Additionally, a reference value (red horizontal line) is given. When the residuals are Gaussian distributed, the mean values should both be consistent with this reference value. The last pair of bars in each plot display the mean values of the squared positive residuals and of the squared negative residuals, together with their respective 3σ error bars and the reference value for a Gaussian distribution (blue horizontal line). The squaring emphasizes outliers.

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APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
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