XEASY Peak List: Difference between revisions
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The XEASY peak list contains the peak number, chemical shift in dimension 1 and 2, peak color, peak volume, volume error, and the atom numbers in dimension 1 and 2, plus some unused information (i.e., "U", "-", and "0"). Shown below is a section of a 2D [15N, 1H]-HSQC peak list. Extension to 3D and 4D experiments is achieved by adding additional chemical shift and atom number columns. | The XEASY peak list contains the peak number, chemical shift in dimension 1 and 2, peak color, peak volume, volume error, and the atom numbers in dimension 1 and 2, plus some unused information (i.e., "U", "-", and "0"). Shown below is a section of a 2D [15N, 1H]-HSQC peak list. Extension to 3D and 4D experiments is achieved by adding additional chemical shift and atom number columns. | ||
*Example of XEASY 2D [15N, 1H]-HSQC peak list | *Example of XEASY 2D [15N, 1H]-HSQC peak list <br><br> | ||
<pre> | |||
# Number of dimensions 2 | |||
#INAME 1 N15 | |||
#INAME 2 H1 | |||
2 117.366 10.003 2 U 0.000e+00 0.00e+00 - 0 1 2 0 | |||
3 128.011 9.717 2 U 0.000e+00 0.00e+00 - 0 49 50 0 | |||
4 129.513 9.526 2 U 0.000e+00 0.00e+00 - 0 97 98 0 | |||
5 127.738 9.526 2 U 0.000e+00 0.00e+00 - 0 145 146 0 | |||
6 120.778 9.512 2 U 0.000e+00 0.00e+00 - 0 193 194 0 | |||
7 128.694 9.416 2 U 0.000e+00 0.00e+00 - 0 241 242 0 | |||
8 129.922 9.375 2 U 0.000e+00 0.00e+00 - 0 289 290 0 | |||
... | |||
</pre> | |||
-- <span class="WYSIWYG_LINK">Main.GaohuaLiu</span> - 14 Jun 2007 | -- <span class="WYSIWYG_LINK">Main.GaohuaLiu</span> - 14 Jun 2007 |
Latest revision as of 17:14, 10 November 2009
Peak List
The XEASY peak list contains the peak number, chemical shift in dimension 1 and 2, peak color, peak volume, volume error, and the atom numbers in dimension 1 and 2, plus some unused information (i.e., "U", "-", and "0"). Shown below is a section of a 2D [15N, 1H]-HSQC peak list. Extension to 3D and 4D experiments is achieved by adding additional chemical shift and atom number columns.
- Example of XEASY 2D [15N, 1H]-HSQC peak list
# Number of dimensions 2 #INAME 1 N15 #INAME 2 H1 2 117.366 10.003 2 U 0.000e+00 0.00e+00 - 0 1 2 0 3 128.011 9.717 2 U 0.000e+00 0.00e+00 - 0 49 50 0 4 129.513 9.526 2 U 0.000e+00 0.00e+00 - 0 97 98 0 5 127.738 9.526 2 U 0.000e+00 0.00e+00 - 0 145 146 0 6 120.778 9.512 2 U 0.000e+00 0.00e+00 - 0 193 194 0 7 128.694 9.416 2 U 0.000e+00 0.00e+00 - 0 241 242 0 8 129.922 9.375 2 U 0.000e+00 0.00e+00 - 0 289 290 0 ...
-- Main.GaohuaLiu - 14 Jun 2007