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. 2024 Jun 3. Online ahead of print. doi: 10.1039/d4fd00105b

Fig. 6. A histogram of the geometric deviation between experimentally-determined crystal structures and the corresponding matching structures from CSP. The deviation is measured as the RMSD in atomic positions within 30-molecule clusters from experimental and CSP structures. Note the broken x-axis – the largest-deviation bin (green hatching) includes all matches with RMSD30 greater than 1.0 Å.

Fig. 6