pipe2txt.tcl shifting direct dimension?
- 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
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?
School of Chemistry
University of Melbourne