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Figure 1
Diagnostic plots for Sim 1 (left) and Sim 2 (right). Row 1: `balance sheet' with positive (blue) and negative (orange) residuals. First pair of columns: fraction of positive and negative residuals; second pair: mean value of just positive residuals and mean value of absolute negative residuals; and third pair: mean value of squared positive residuals and mean value of squared negative residuals. Additionally, 3σ error bars are attached. Row 2: histograms of weighted residuals with three Gaussian probability distributions – red: idealized; black: fitted to all absolute residuals smaller than 3, |ζ| < 3; and orange: fitted to all residuals. Row 3: weighted residuals printed in rank order of σ = 1/w1/2. Row 4: normal probability plots (Abrahams & Keve, 1971BB1).

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 58| Part 1| February 2025| Pages 283-289
https://doi.org/10.1107/S1600576724011889
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