Combined Concurrent Verification with ACD/NMR Workbook Suite

Complete confidence in structural assignments

The Global Assignment Preview of ACD/NMR Workbook Suite makes accurately assigning spectral peaks easier than ever. The software also automatically reports the quality of the overall structural assignment. But what if an alternative structure would match the experimental spectra just as well? What if it was a structure you didn't even consider?

The Combined Concurrent Verification (CCV) protocol included with ACD/NMR Workbook Suite tackles this problem, simplifying the process of checking and eliminating reasonable alternative structures, and enhancing the confidence in structure verification.

CCV exhaustively tests for the best structure, but with much less time and effort than manual interpretation. The protocol:

  • Automatically generates alternative structures (negative controls) based on the user-defined proposed structure
  • Tests each alternative for consistency with experimental data, up to three times with increasingly restricted tolerances.
  • Notifies the user if an alternative structure is found to be highly consistent with the experimental data.

Negative control structures that pass this verification test indicate that further investigation is necessary to determine which one is the best structure. Conversely, when no alternatives pass the test it is highly likely that the proposed structure is the correct one. Using CCV gives you the utmost confidence in your structure verification routine.