Structure Validation in Chemical Crystallography
Author Information
Author(s): Anthony L. Spek
Primary Institution: Utrecht University, Bijvoet Center for Biomolecular Research
Conclusion
Automated structure validation has significantly improved the quality and reliability of crystal structure reports in chemical crystallography.
Supporting Evidence
- Automated structure validation was introduced to assist with the exponential growth in crystal structure analyses.
- The validation software generates a report listing issues to be corrected, checked, or commented on.
- Structure validation has largely eliminated obvious problems with structure reports published in IUCr journals.
Takeaway
This study talks about how checking the quality of crystal structures helps scientists avoid mistakes in their research. It's like making sure a puzzle piece fits before you put it in.
Methodology
The study reviews the current status of automated structure validation tools and their impact on the quality of published crystal structures.
Potential Biases
There is a risk of bias due to the decreasing number of experienced crystallographers available for refereeing submissions.
Limitations
The study does not address the validation of large or low-resolution protein structures.
Digital Object Identifier (DOI)
Want to read the original?
Access the complete publication on the publisher's website