The importance of High Resolution PFG-NMR data for mixture analysis is steadily increasing but there is no single way to process such data.
While there are a number of available methods, the commonest method is known as DOSY (diffusion-ordered spectroscopy), and therefore it has become practice to refer to these data as DOSY data.
The major manufactures offers different implementations of DOSY processing (with a limited selection) in their software.
The DOSY Toolbox:
- is a completely free programme that aims to incorporate many of the important processing schemes.
- has a graphical user interface to make it easy to access a variety of different processing schemes (and a command mode for more advanced options).
- is written in MATLAB, but can also be obtained as free standing compiled version that does not require a MATLAB installation. The MATLAB version runs on any platform, and the compiled version is presently available for Windows, Linux, and Mac (please contact Mathias Nilsson for older versions).
- has many features including
- - Importing of Varian, Bruker and Jeol data.
- - Phasing, apodisation, baseline correction and referencing.
- - Reference deconvolution.
- has several Diffusion-Resolved data processing methods including
- - DOSY (mono- and multiexponential)
- - Correction for non-uniform field gradients
- - DECRA
- - MCR
- - SCORE
- is released as freeware under the GNU GPL license.
The most current documentation can be found in the DOSY Toolbox wiki and is also described in this publication:
M. Nilsson, et al., The DOSY Toolbox: A new tool for processing PFG NMR diffusion data, Journal of Magnetic Resonance, 2009, 200, 296-302. DOI