Harmonizing Peak Matching Between Multidimensional NMR Spectra
Anthony C. Bishop, Kyle Mimun, Weimin Tan, Taylor R. Cole, A. Joshua Wand
This paper develops an algorithm to automate cross-peak matching between multidimensional NMR spectra by modeling deviations as a distribution of noise and true shifts, using Bayesian inference to provide confidence estimates.
Journal of Chemical Information and Modeling · Aug 7, 2026Peer-reviewedBiophysics