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Figure 9
Comparison of the average and median ΔR1(F) (top) as well as RMSCD values (bottom) between experiment and theory for 20 structures (excluding D,L-alanine and gluta­thione) of the test set permits direct comparison of overall method performance.

IUCrJ
Volume 12| Part 4| July 2025|
ISSN: 2052-2525
https://doi.org/10.1107/S2052252525004543