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✅   NMR Spectral Alignment Utilizing a CryoEM Motion Correction Algorithm

science

With recent advances in magic-angle spinning (MAS) solid-state NMR (SSNMR) resolution, precise spectral alignment has become a critical bottleneck in data processing workflows. While solution NMR employs deuterium lock sys-tems, most SSNMR probes still lack this capability; though a lock corrects for magnet drift and instabilities, it is not alone sufficient to account for field gradients, sample temperature differences, and pulse sequence effects that can contribute to ref-erencing errors among several data sets. These offsets become particularly problematic in the lengthy multidimensional ex-periments that provide the foundation for resonance assignment and structure determination procedures. Currently, researchers rely on manual alignment through visual peak inspection--a qualitative approach that often overemphasizes prominent, out-lying peaks while overlooking subtle, global patterns.

BioRxiv     May 06, 2025