ArticleActa crystallographica. Section C, Structural chemistry2026
Are crystal structures getting better? A temporal and elemental analysis of the Cambridge Structural Database.
Article in Acta crystallographica. Section C, Structural chemistry, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
In this article, the temporal progression of quality indicators in the Cambridge Structural Database is evaluated statistically as a simplistic and accessible measure for structural quality trends. R1 showed a strong decrease until 1980 followed by comparatively small changes, whereas wR2 increased significantly between 2000 and 2025. Residual electron-density extrema remained broadly stable, although the magnitude of the residual densities showed a small significant decrease. Exploratory normalization by unit-cell volume produced decreasing recent R1 and wR2 ratios, whereas F(000)-normalized R1 decreased and F(000)-normalized wR2 remained stable. Also, quality indicators are plotted on an elemental basis, and their trends are described.
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