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* <br> <pre class="TMLverbatim">
*Example of XEASY 2D [15N, 1H]-HSQC peak list <br><br>
#&nbsp;Number&nbsp;of&nbsp;dimensions&nbsp;2
#INAME&nbsp;1&nbsp;N15
#INAME&nbsp;2&nbsp;H1
&nbsp;&nbsp;&nbsp;2&nbsp;117.366&nbsp;&nbsp;10.003&nbsp;2&nbsp;U&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;0.000e+00&nbsp;&nbsp;0.00e+00&nbsp;-&nbsp;&nbsp;&nbsp;0&nbsp;&nbsp;&nbsp;&nbsp;1&nbsp;&nbsp;&nbsp;&nbsp;2&nbsp;0
&nbsp;&nbsp;&nbsp;3&nbsp;128.011&nbsp;&nbsp;&nbsp;9.717&nbsp;2&nbsp;U&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;0.000e+00&nbsp;&nbsp;0.00e+00&nbsp;-&nbsp;&nbsp;&nbsp;0&nbsp;&nbsp;&nbsp;49&nbsp;&nbsp;&nbsp;50&nbsp;0
&nbsp;&nbsp;&nbsp;4&nbsp;129.513&nbsp;&nbsp;&nbsp;9.526&nbsp;2&nbsp;U&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;0.000e+00&nbsp;&nbsp;0.00e+00&nbsp;-&nbsp;&nbsp;&nbsp;0&nbsp;&nbsp;&nbsp;97&nbsp;&nbsp;&nbsp;98&nbsp;0
&nbsp;&nbsp;&nbsp;5&nbsp;127.738&nbsp;&nbsp;&nbsp;9.526&nbsp;2&nbsp;U&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;0.000e+00&nbsp;&nbsp;0.00e+00&nbsp;-&nbsp;&nbsp;&nbsp;0&nbsp;&nbsp;145&nbsp;&nbsp;146&nbsp;0
&nbsp;&nbsp;&nbsp;6&nbsp;120.778&nbsp;&nbsp;&nbsp;9.512&nbsp;2&nbsp;U&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;0.000e+00&nbsp;&nbsp;0.00e+00&nbsp;-&nbsp;&nbsp;&nbsp;0&nbsp;&nbsp;193&nbsp;&nbsp;194&nbsp;0
&nbsp;&nbsp;&nbsp;7&nbsp;128.694&nbsp;&nbsp;&nbsp;9.416&nbsp;2&nbsp;U&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;0.000e+00&nbsp;&nbsp;0.00e+00&nbsp;-&nbsp;&nbsp;&nbsp;0&nbsp;&nbsp;241&nbsp;&nbsp;242&nbsp;0
&nbsp;&nbsp;&nbsp;8&nbsp;129.922&nbsp;&nbsp;&nbsp;9.375&nbsp;2&nbsp;U&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;0.000e+00&nbsp;&nbsp;0.00e+00&nbsp;-&nbsp;&nbsp;&nbsp;0&nbsp;&nbsp;289&nbsp;&nbsp;290&nbsp;0
...</pre>
 
 


<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

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