Wiley tool helps check NMR data

Wiley has developed a new tool to assist authors, reviewers, and editors in evaluating chemistry data. The 13C NMR (13C nuclear magnetic resonance (NMR) spectroscopy) data checker is an easy-to-use tool to help reduce errors and increase the reliability of published data in this area.

Author end users can submit a structure and the recorded 13C NMR shifts. In response the system generates predictions of chemical shifts by using two different algorithms. The system then displays how well the predictions agree with the experimental data and with each other. The results indicate the likelihood of the submitted structure being correct.

Richard Threlfall, who is overseeing the ongoing development of the 13C NMR data checker, says of the new tool: “Evidence suggests that a significant number of papers contain structures that are inconsistent with the 13C NMR data.

Inconsistent can mean everything from typos to incorrect structures and we believe this tool will help researchers, peer reviewers, and editors prevent errors large and small from creeping into publications.”

The 13C NMR data checker is publicly available and free to use at www.wsslabs.com. For more information, please contact Dr. Richard Threlfall (rthrelfall@wiley.com)

The NMR data checker is currently available as a stand-alone service, but other editor support tools tools such as CheckCIF, reference checking, Similarity Check and Bibliometric Intelligence are fully integrated with Editorial Manager.