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. 2025 Feb 1;58(Pt 1):283–289. doi: 10.1107/S1600576724011889

Table 2. Residual descriptors describing the reference simulation (Sim 1) and the simulation contaminated by a systematic error (Sim 2) with the true noise in the reflections being magnified by a factor of 5 compared with the formal value.

Column 2: mean weighted residual, Inline graphic. Column 3: significance of deviation of 〈ζ〉 from zero with σ(〈ζ〉) = [var(ζ)/N]1/2 and population variance Inline graphic. Column 4: mean value of positive residuals. Column 5: mean value of absolute negative residuals. Column 6: mean value of squared positive residuals. Column 7: mean value of squared negative residuals. Columns 8 and 9: integer number of positive and negative residuals. Column 10: ratio of number of positive and negative residuals. Column 11: a measure of the significance of excess residuals when a random walk with 50% probability for positive and for negative steps is assumed. For more on the definitions of these metrics, see e.g. Domagala et al. (2023 ▸) and Henn (2019 ▸).

  〈ζ〉 Inline graphic 〈ζ+〉 〈|ζ−|〉 Inline graphic Inline graphic #ζ+ #ζ− Inline graphic Inline graphic
Sim 1 0.00 −0.12 0.80 ± 0.04 0.80 ± 0.04 1.02 ± 0.09 1.00 ± 0.09 2390 2417 0.99 −0.39
Sim 2 −0.20 −8.00 0.83 ± 0.04 1.33 ± 0.11 1.15 ± 0.11 4.93 ± 0.91 2517 2290 1.10 3.27