© 2016 Elsevier Inc. Covariance processing is a versatile processing tool to generate synthetic NMR spectral representations without the need to acquire time-consuming experimental datasets. Here we show that even experimentally prohibited NMR spectra can be reconstructed by introducing key features of a reference 1D CHn-edited spectrum into standard 2D spectra. This general procedure is illustrated with the calculation of experimentally infeasible multiplicity-edited pure-shift NMR spectra of some very popular homonuclear (ME-psCOSY and ME-psTOCSY) and heteronuclear (ME-psHSQC-TOCSY and ME-psHMBC) experiments.
|Journal||Journal of Magnetic Resonance|
|Publication status||Published - 1 Sep 2016|
- Covariance NMR
- Multiplicity-edited COSY
- Multiplicity-edited HMBC
- Multiplicity-edited TOCSY
- Pure shift NMR