Subject: Re: [nmr_sparky] Peak integration
From: Josh Ward
Date: Jan 19, 2006

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In the integration settings dialog [Peak - Integrate... (it)], you will
find the boxes to adjust the min and max linewidth parameters. If you
go through your spectrum and adjust those, you should be able to improve
your fits somewhat. You can visually inspect the quality of the
integration by viewing slices [View - Slices (vS)], where the 1D
projection along the cursor in each dimension is shown in black and the
curve fit for the selected peaks is shown in blue. It is also possible
to change the options in the peak list to display some fitting
statistics, but I tend to find these somewhat less informative at times
than a visual inspection (sometimes the human brain is still the best
computer you can possibly have ;-) )

Hope that sheds some new light on the subject for you.

Josh

jbd_sdg wrote:

HI,

I am a long time Sparky user and I always seem to have a hard time
with peak integration in 3D-spectra. I often get the Bounding
contour too large error. I increase the contour level to get around
this but if a peak is too broad sparky will not integrate it. I was
wondering if anyone has any good advice on how to best integrate peaks
in 3D-Spectra.

Thanks,
Bradley

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--
Josh Ward
Graduate Research Assistant
Purdue University
Department of Medicinal Chemistry and Molecular Pharamacology
Lily Hall of Life Sciences
Phone: (765) 494-2191