Subject: Re: [nmr_sparky] changing axis w#
From: Jinwon Jung
Date: Dec 1, 2009

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Hi Andrew,

CYANA automatically detects axis from their chemical shift and some
assignments given by user.
If it does not work, something is wrong with you peak list.
You may try declare axis in the header of file like this:
# Number of dimensions 3
#FORMAT xeasy3D
#INAME 1 HC
#INAME 2 H
#INAME 3 C
#CYANAFORMAT HhC
0 4.453 4.453 70.302 1 U 9.707E+02 0.000E+00 e 0
0 0 0
1 4.454 4.306 70.314 1 U 1.984E+02 0.000E+00 e 0
0 0 0
2 4.453 1.084 70.278 1 U 2.191E+02 0.000E+00 e 0
0 0 0
3 4.014 6.971 68.349 1 U 2.701E+01 0.000E+00 e 0
0 0 0
....

HC and capital H mean proton attaching on carbon.

For the second case, I have no idea. please give more information
about your situation.
Showing the result of ucsfdata will be good like this:

% ucsfdata cactd_c_noesy.ucsf
axis w1 w2 w3
nucleus 1H 13C 1H
matrix size 512 128 1461
block size 16 4 45
upfield ppm -2.304 47.694 -1.004
downfield ppm 11.704 87.634 9.001
spectrum width Hz 12610.340 9041.591 9007.310
transmitter MHz 900.280 226.375 900.280

Jinwon

:: Jung, Jinwon. Ph.D.
:: 정진원(鄭鎭沅)
:: Department of Structural Biology
:: University of Pittsburgh
:: 3501 FIFTH AVE BST3 B040
:: PITTSBURGH PA 15260
:: USA
:: Tel:+1-412-383-6939
:: Fax:+1-412-648-9008

On Nov 30, 2009, at 9:56 PM, Andrew wrote:

I would like to change the axis of my C13 NOESY so that the carbon
dimension is w3 instead of w1. I think this is causing my issues
with CYANA not reading any peaks...either that or my calibration is
wrong :(

Also can i only pick peaks in part of a 3D spectra say only 2 or 3
ppms but in every plane? Thanks

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