Data quality and the value of structural databases - C. Groom
Channel: International Union of Crystallography
Date: 2013-10-17

The Cambridge Structural Database of organic and metal-organic structures is one example of the curated archives of structural data that have been crucially important crystallographic and chemical resources for many decades. Many structural analyses based on the holdings in such databases rely on the quality and reliability of the individual structures. Historically, CCDC's Scientific Editors have worked hard to validate the individual depositions, a task greatly helped by the adoption of CIF as a community standard format. CCDC now applies probabilistic computational tools to determine the 'chemistry' represented by a CIF alongside expert human analysis.