2D NMR spectra fitter

A set of functions that can be used for approximation of various 2D NMR spectra with 2D Gaussians.

2D NMR spectra fitter, version 1.0, 2015
Ali Shaban (1), Sevastyan O. Rabdano (1,2)
(1) Department of Physics, Saint Petersburg State University, Russia;
(2) Laboratory of Biomolecular NMR, Saint Petersburg State University, Russia;
Reads spectra from a formatted text file, which can be easily produced by any NMR processing program. Suitable for accurate measurement of peaks volumes in NMR relaxation, NOE and NMR kinetics experiments.
Simple peak table management:
1. Each peak is defined by two chemical shifts given in units of ppm.
2. Clusterization routine divide peak table in a way that overlapping peaks fitted together but isolated peaks fitted independently. Thus the fitting time is greatly reduced.
3. Plot peaks and clusters over experimental spectrum.
Spectrum is fitted with Gaussians. Peak positions, width and uncertainties in units of ppm are calculated.
Usage example is provided in Clusters.m file.