Software Compensation of Magnetic Field Drifts
| | | | | LockIt | | |

NMRanalyst automates the analysis of acquired NMR data. Despite spectral distortions, the analysis software obtains the best possible interpretation of the data based on the expected response. But why not extend the software control and optimize the instrument setup and the data acquisition itself to acquire better data?

For historical reasons, NMR uses a heteronuclear deuterium hardware lock to compensate for magnetic field drifts. This approach is applicable most of the time. But deuterium cannot be observed or easily be decoupled when using the deuterium hardware lock. Solid-state NMR spectrometers and MRI instruments normally are not equipped for hardware locking. Having to add a deuterium locking compound to the sample is at best a hassle (and definitely not cheap). For precious samples, for small sample volumes which do not provide enough space for the locking substance, or for biological samples which cannot be enriched in deuterium, the use of a hardware lock is not an option.

LockIt is a software lock which monitors the position of resonances detected over the observe channel. Sure, the software could also monitor lock channel resonances. LockIt is based on the 1D analysis part of NMRanalyst. The resonance positions of each acquired block of transients are determined with a precision which is an unnoticeable fraction of the analyzed linewidth(s). The magnet is adjusted for detected drifts in field strength and normally the field drift is sufficiently small so none of the acquired blocks of transients needs to be discarded (otherwise a smaller block size should be selected for the data acquisition).

A publication involving LockIt is: Chenon, M.-T.; Dunkel, R.; Grant, D.M.; Werbelow, L.G.; "NMR Relaxation Studies of the 13CH3 Spin Grouping in the Vicinity of the T1 Minimum"; J. Phys. Chem. A 1999, 103(11), 1447-1456. We are interested in writing a publication about the LockIt application for deuterium NMR using a standard NMR instrument. Do you have a challenging deuterium problem, access to a NMR instrument, and would be interested in a collaboration? Please contact Mail: dunkel@ScienceSoft.net.

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