Hello,
The height is determined just by the maximum value. (I thought it was
being interpolated somehow but it is not as far as I can tell now.)
The volume is trickier and we don't do it particularly well in the basic
code. I mean to put in something similar to what Sparky does but have not
had time yet. And Dan's peak separator almost certainly does (or ought to
do!) a better job. (But he is better placed to explain that.) The volume
in the basic code is described at:
https://www.jiscmail.ac.uk/cgi-bin/webadmin?A2=ind1004&L=CCPNMR&P=R8101&1=CCPNMR&9=A&J=on&d=No+Match%3BMatch%3BMatches&z=4
There is no specific function to extract a 1D through the middle of a peak
(well, that I remember anyway). But it can be done with a bit of code,
which could be put in a macro. I've attached a sample macro which will
let you select a peak and a dim (from 1 to the number of dims in the
spectrum) through which you want to extract the 1D, and a file in which it
will output the result. This could be modified to do other things.
Wayne
On Tue, 12 Apr 2011, Carolin Seuring wrote:
> Hi,
>
> I would like to use the intensity values from M : Peak List : Tab Peak Table
> for comparison studies. Therefore, I would like to see how the function that
> is used to calculate the intensity fits to the peak shape and eventually
> modify that accordingly.
> What options do I have to do that? Is there a way to extract a 1D through the
> middle of the peak and adjust the fit of the function to the peak in this 1D?
>
> Thanks
> Carolin
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