Deterministic schedules for robust and reproducible non-uniform sampling in multidimensional NMR
Author(s)Ruben, David; Herzfeld, Judith; Griffin, Robert Guy; Eddy, Matthew Thomas
MetadataShow full item record
We show that a simple, general, and easily reproducible method for generating non-uniform sampling (NUS) schedules preserves the benefits of random sampling, including inherently reduced sampling artifacts, while removing the pitfalls associated with choosing an arbitrary seed. Sampling schedules are generated from a discrete cumulative distribution function (CDF) that closely fits the continuous CDF of the desired probability density function. We compare random and deterministic sampling using a Gaussian probability density function applied to 2D HSQC spectra. Data are processed using the previously published method of Spectroscopy by Integration of Frequency and Time domain data (SIFT). NUS spectra from deterministic sampling schedules were found to be at least as good as those from random schedules at the SIFT critical sampling density, and significantly better at half that sampling density. The method can be applied to any probability density function and generalized to greater than two dimensions.
DepartmentMassachusetts Institute of Technology. Department of Chemistry; Massachusetts Institute of Technology. Plasma Science and Fusion Center; Francis Bitter Magnet Laboratory (Massachusetts Institute of Technology)
Journal of Magnetic Resonance
Eddy, Matthew T., David Ruben, Robert G. Griffin, and Judith Herzfeld. “Deterministic Schedules for Robust and Reproducible Non-Uniform Sampling in Multidimensional NMR.” Journal of Magnetic Resonance 214 (January 2012): 296–301.
Author's final manuscript