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Figure 6
MAD between the X-ray/geometry-optimized and neutron values of the X—H and TM—H bond lengths with the c.s.d. averaged for the X—H/TM—H bonds in each structure as error bars. The X-ray values were obtained with various refinement methods. The structures are ordered according to their position in the X-ray (HAR)–neutron data- and refinement-quality ranking from best to worst.

IUCrJ
Volume 11| Part 1| January 2024| Pages 45-56
ISSN: 2052-2525
https://doi.org/10.1107/S205225252300951X