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Space group Cc: an update.
1The Beckman Institute, California Institute of Technology, Pasadena, CA 91125, USA. rmarsh@caltech.edu
Acta Crystallographica. Section B, Structural Science
|March 16, 2004
Summary
Incorrect space group assignments in the Cambridge Structural Database (CSD) persist. A recent survey indicates that about 10% of Cc space group assignments remain erroneous, a rate unchanged since 1997.
Area of Science:
- Crystallography
- Materials Science
- Data Curation
Background:
- The Cambridge Structural Database (CSD) is a critical resource for crystallographic data.
- Accurate space group assignment is fundamental for correct crystal structure determination.
- Previous surveys have identified issues with specific space group assignments.
Purpose of the Study:
- To assess the current accuracy of space group assignments in the CSD.
- To determine if the rate of incorrect assignments for the space group Cc has changed since 1997.
Main Methods:
- Analysis of a recent survey of entries within the Cambridge Structural Database.
- Comparison of current space group assignments with historical data from 1997.
Main Results:
- The percentage of incorrect space group assignments for Cc has remained consistently around 10%.
- No significant improvement in the accuracy of Cc space group assignments has been observed over the past five years.
Conclusions:
- Persistent errors in space group assignments highlight ongoing challenges in crystallographic data quality.
- The stability of incorrect Cc assignments suggests a need for improved validation protocols or user education within the crystallographic community.