2D NMR Simulation Tools

Routines to simulate 2D NMR spectra

Routines to simulate apodized, in phase (or anti-phase) 2D Nuclear Magnetic Resonance (NMR) spectra given chemical shifts, linewidths and a matrix of correlations between chemical shifts. A routine is included to construct chemical shift lists and the matrix of correlations from a 2D peak list. These routines use the same data table format (examples for a TOCSY and HSQC spectra are provided in the included .mat file) used by the Covariance NMR Toolbox (also available via MATLAB Central File Exchange) and produce spectra that can be plotted using the Plot2DSpec function in the Covariance NMR Toolbox, however, these functions do not, themselves, require the Covariance NMR Toolbox to run. Those interested in developing and evaluating new techniques for NMR data processing and analysis will find these functions to be useful in generating simulated data.