Question

Hello all, I am working with a varian spectrometer and did a 2D experiment with a 3D pulse sequence and I need help with the conversion as well as the processing script with NMRpipe.

In slightly more detail, the pulse sequence is for a C1-N2-C3 correlation, assuming C1 being the first indirect dimension, C3 being the direct dimension.

When I do a N2-C3 correlation, processing with NMR pipe was straighforward(the interface reads it correctly). However I did a C1-C3 correlation and this is my problem. And auto-read parametersresults in a 1D, and I tried manually entering the 2 other dimensions and my scripts looks as follows:

#!/opt/scisoft64/bin/csh

var2pipe -in ./fid \
 -noaswap  \
  -xN              2084  -yN                 1  -zN                40  \
  -xT              1042  -yT                 1  -zT                20  \
  -xMODE        Complex  -yMODE        Complex  -zMODE        Complex  \
  -xSW       104166.667  -ySW         3200.000  -zSW         5027.020  \
  -xOBS         201.134  -yOBS         201.134  -zOBS         201.134  \
  -xCAR          54.000  -yCAR         120.000  -zCAR          54.000  \
  -xLAB            C13x  -yLAB            N15y  -zLAB             C13  \
  -ndim               3  -aq2D          States                         \
  -out ./data/test%03d.fid -verb -ov

************************************

Upon running this script though there is an error and the following is the output (note the error at the end)

Varian Format: Short Floating-Point Complex Data, 4 Bytes per Point.
Varian Sizes:  2084 Total Points per FID, 40 FIDs, 1 Experiment.

Varian Four-Byte Float Format --> NMRPipe Conversion.
Input File: ./fid
Output Template: ./data/test%03d.fid
3D Sizes: (2084 Real+Imag)(1 Real+Imag)(40 Real+Imag)

Segmentation fault

Does anyone have experience with this and knows the solution for this? If yes, could you please share it here.

Thanks in advance. PBjang

Answer 1

0	I am not an expert...since the mode is complex for N15 too, shouldn't yN be 2? (I know it is 2D..but just for the sake of a logical header).. I may be wrong link answered Jul 16 '13 at 07:57 nmr2rmn 3 updated Jul 16 '13 at 07:57

Answer 2

Hi thanks for the reply. Just found the answer. This is somewhat similar to relaxation-weighted experiments. I had to do the following steps in order to solve this problem.

Consider it only a 2D experiment.
Set the parameters of the Z-axis to be Y and ignore the Z-axis.

My conversion script then looks like this

 var2pipe -in ./fid \
 -noaswap  \
  -xN              2084  -yN                40  \
  -xT              1042  -yT                20  \
  -xMODE        Complex  -yMODE        Complex  \
  -xSW       104166.667  -ySW         3200.000  \
  -xOBS         201.134  -yOBS         201.134  \
  -xCAR          54.000  -yCAR          54.000  \
  -xLAB            C13x  -yLAB            C13y  \
  -ndim               2  -aq2D          States  \
  -out ./test.fid -verb -ov

and its all fine.

thanks Santhosh

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