Subject: Re: [nmr_sparky] Folded Spectra and peak picking
From: eiso
Date: May 11, 2010

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Andrew Olson wrote:

I have a folded C13 aliphatic NOESY in the carbon dimension and im
beginning to pick peaks in it. Im wondering what the easiest way to do
make sure all my negative peaks are aliased by a the proper sweepwidth.
I know i can use a1 and A1 commands but is there an easier way to do
this for all the negative peaks? I know there is the FOLD spectrum
option but im not quite sure i get how that works. Thanks

If you use restricted peak picking from a HSQC with the correct ppm values
the picked peaks should come out with the correct ppm.

I think I used to check by saving the peak list as a list file
and sorting on C13 freq and intensity to see if the correct peaks
are aliased. If I remember correctly the LT shortcut gives you a
peak list in sparky that you can use to sort the peaks on more properties
than lt can (e.g. peak height).

Its easier for wrongly aliased peaks to creep in if youre adding peaks
manually. You probably want to check regularly if there are assignments
in the resonance list with a large spread. See
http://nmr2.chem.uu.nl/~eiso/sparky/checkres.py for a module that
gives all resonances with a spread larger than some value.

goodluck, Eiso

Andrew