Covariance NMR toolbox, version 1.1 (C) (2010)
David A. Snyder(1) along with Timothy Short(1), Leigh Alzapiedi(1) and Rafael Bruschweiler (2)
(1) Department of Chemistry, College of Science and Health, William Paterson University; (2) Department of Chemistry and NHMFL, Florida State University
The authors acknowledge additional assistance from Megha Trambadiya, Pankaj Vekarya, Crystal Walcott, Yanbin Chen and Fengli Zhang as well as support from Start-up Funds and Assigned Release Time (ART, awarded to D.A.S.) and student worker funds, from the College of Science and Health and from the Office of the Provost, William Paterson University
This toolbox provides support for most covariance NMR related processing techniques using a coherent, user-friendly set of MATLAB (and largely OCTAVE compatible) functions. This package uses (spectrometer independent) NMR Pipe format files for input and output. Additionally, small data-sets can be further manipulated and displayed directly in MATLAB or OCTAVE. Supported covariance and related techniques include direct covariance (both 2D and 4D), indirect covariance, GIC, Z-matrix transforms and pre-covariance-processing by masking or acceptor foot-printing. Note that Z-matrix and similar calculations may not be possible for large, 4D data-sets due to memory limitations.
More information (and references to published descriptions of covariance NMR) can be found in the README file and Manual distributed along with this Toolbox
Included a manual as well as example scripts and made minor tweaks to the code
Create scripts with code, output, and formatted text in a single executable document.