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Figure 10
Difference Fourier map for refinement of a synthetic dataset of serine (CRYSTAL17 def2-TZVP/PBE, dmin = 0.55 Å) with HAR [isolated molecule, NoSpherA2, ORCA (version 5.0), def2-TZVP/PBE] to illustrate the interaction density, isolevel 0.04 e Å−3.

IUCrJ
Volume 12| Part 3| May 2025| Pages 322-333
ISSN: 2052-2525
https://doi.org/10.1107/S2052252525002040