Subject: Re: [nmr_sparky] overlay (ol)
From: Tom Goddard
Date: Mar 30, 2010

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Hi Eiso,

Sparky does not use the displayed orientation of the spectrum axes in the view window to decide how to pair the spectrum axes when overlaying. Instead it first checks if the nucleus types (H, C, N) are the same for the w1 axes in both spectra, for the w2 axes in both spectra, and the w3 axes for both spectra. In that case it simply pairs w1 - w1, w2 - w2, w3 - w3 in the overlay. Otherwise it tries to pair axes that have matching nucleus types. For example if one spectrum had (w1 N, w2 C, w3 H) and you overlay another with (w1 C, w2 H, w3 N) then it will pair the axes with matching nuclei even though they are in different order. If this mapping is not unique because two nuclei a identical, for example, overlaying (w1 N, w2 H, w3 H) onto (w1 H, w2 N, w3 H) then I believe Sparky just doesnt show the overlay. The only way to get that case to work is to have the same nuclei for axes w1, w2 and w3. So youd need to reorder the axes in your spectrum file. So basically Sparky wont let you pair whichever axes you want, it uses a few fixed rules -- unfortunate.

Tom


hi Tom,

I noticed that if you overlay 2 3d spectra, both spectra are only shown
in the orientation of the spectrum that was present during setting the overlay.
Is this intentional? or a bug?

kind regards, Eiso