Subject: Re: [nmr_sparky] Sparky and NOE build-up
From: Fabián Alejandro Rodríguez
Date: May 17, 2006

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Thank you for your answer, Tom!

fabian.

On Wed, 2006-05-17 at 09:41 -0700, Thomas Goddard wrote:
Hi Fabian,

If you fit a Gaussian to a peak in Sparky (default integration mode) then
the peak volume is the entire volume under the Gaussian. Changing the
contour level will effect what data is used in computing the Gaussian
position and linewidth, but as long as the data within the lowest contour
is enough to accurately determine those parameters you will get the same
volume.

Still it is not clear what contour levels are appropriate for fitting your
series of spectra. You want the lowest contour level to enclose enough
data around a peak to get a good fit.

Tom




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