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I have a DOSY data set in TopSpin and I'd like to extract diffusion coefficients for two small peaks in the spectrum. The problem is that the spectra all have slightly different phase corrections, so when I phase on just one of them I wind up with nonsensical integral values for the peaks of interest in the later spectra. Is there a way to individually phase and baseline each spectrum and then perform the calculation using TopSpin's T1/T2 algorithms? From what I can tell the T1/T2 algorithm only allows you to extract one spectrum and phase everything else the same.

Thanks very much, David

asked Oct 14 '13 at 12:08

DBritt's gravatar image


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Dear David! There's an excellent au-program, diffapk2d that performs this individual phase correction. To use it, one must execute expinstall again and choose "diffusion and microimaging" during the setup. After it I usually run abs2 for base correction. All these commands, xf2; diffapk2d; abs2; eddosy can be used as one macro in Topspin


answered Oct 20 '13 at 22:08

VVK's gravatar image


updated Oct 22 '13 at 05:23

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Dear David,

The new Dynamics Center package by Bruker contains a module to process PFG diffusion NMR data which allows you to phase correct, etc. individually each spectrum of your gradient ramp. (You don't need an extra licence to run this, your Topspin lincence is enough)

The software MNova also offers this capability under a very nice interface, the DOSY Toolbox from Mathias Nilsson as well.

Hope this helps


answered Oct 29 '13 at 01:47

Ignacio%20P%C3%A9rez-Victoria's gravatar image

Ignacio Pérez-Victoria

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