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pipe2txt.tcl shifting direct dimension?

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  • ichsprechedarumichbin
    Hello everybody, I m stumped. Looking at my processed .ft2 file in nmrDraw, with no further adjustments (e.g. phase), I see (solid state) spectral features at
    Message 1 of 1 , Aug 6, 2007
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      Hello everybody,

      I'm stumped. Looking at my processed .ft2 file in nmrDraw, with no further adjustments
      (e.g. phase), I see (solid state) spectral features at 45 and 0 ppm in the directly detected
      dimension, but after output to ascii with pipe2txt.tcl and plotting with gnuplot, these
      features appear shifted by approximately half the spectral width, i.e. the feature at 0 ppm
      moves to the negative edge, and the feature at 45 moves through 0 to -10. The remainder
      of the truncated feature at the negative edge in the ascii file does not alias to the positive
      edge.

      Meanwhile the indirectly detected dimension appears to be similar enough in both pipe
      and ascii formats.

      The processing ending with the output of the .ft2 file involves a shear transform, so
      there's manipulations of spectral widths, time-domain linear phase corrections and such
      necessary to trick the system, but I would think the data file itself would have no memory
      of this, and nmrDraw would only be displaying contours of the data such as it is. Can
      anybody imagine why pipe2txt.tcl might be stuffing up the data along the directly detected
      dimension, and what I might do about it?

      John Gehman
      School of Chemistry
      University of Melbourne
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