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Re: Combine a set of 2D spectra into one cube

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  • xhliu73
    Hi Frank, Thank you very much! That sounds great, I will try my spectra.
    Message 1 of 3 , Feb 1, 2009
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      Hi Frank,
      Thank you very much! That sounds great, I will try my spectra.


      --- In nmrpipe@yahoogroups.com, Frank Delaglio <delaglio@...> wrote:
      >
      >
      > Huzzah!!!
      >
      > There is an example of this in "relax.tar.Z" at the NMRPipe
      > download site (spin.niddk.nih.gov/NMRPipe/install)
      >
      > Things will work best if you create a subdirectory (like "ft")
      > which has no other files in it besides the planes in the pseudo-3D.
      >
      > Of course, each plane should have identical parameters.
      >
      > Then, you can use the script "series.com" (already part of the NMRPipe
      > installation) to reset the headers so that they correspond to a complete
      > 3D data set, for example:
      >
      > series.com ft/test*.dat
      >
      >
      > Quoting xhliu73 <xhliu73@...>:
      >
      > > Hello Pipers:
      > > I want to combine a set of similar 2D spectra (data collected
      > > seperately, one parameter change) into one cube. I know it's possible,
      > > but whatever I tried, I just cannot make it. When I renumbered the set
      > > of spectra something like test%03d.ft2 and try to combine them using
      > > "xyz2pipe -in test%03d.ft2 -out test.ft2", I got the following error
      > > message:
      > > ---------------------
      > > DATAIO SYSOPEN Error 14:
      > > File: (null) Access: Read
      > > SYSOPEN Message: Bad address
      > > ETEST error 6.
      > > XYZ2Pipe Error setting file parameters.
      > > XYZ2Pipe Status: 1
      > > ----------------------
      > >
      > > I have been working on this for two days :( and I thought that these
      > > error messages may due to wrong data format of the ft2 files because.
      > > Can someone kindly help me out, thanks in advance.
      > >
      > > The following is the code used to convert the 2D:
      > >
      > > -------------------------------------------------
      > > var2pipe -in $fidin -noaswap \
      > > -xN 1024 -yN 220 \
      > > -xT 512 -yT 110 \
      > > -xMODE Complex -yMODE Rance-kay\
      > > -xSW 6000.150 -ySW 1300.010 \
      > > -xOBS 499.828 -yOBS 50.653 \
      > > -xCAR 4.776 -yCAR 119.548 \
      > > -xLAB H1 -yLAB N15\
      > > -ndim 2 -aq2D States \
      > > | nmrPipe -fn POLY -time\
      > > | nmrPipe -fn SP -off 0.5 -end 0.98 -pow 1 -c 0.5\
      > > | nmrPipe -fn ZF -auto\
      > > | nmrPipe -fn FT\
      > > | nmrPipe -fn PS -p0 -125.8 -p1 -2.8 -di \
      > > | nmrPipe -fn POLY -auto\
      > > | nmrPipe -fn EXT -x1 10.5ppm -xn 6.3ppm -sw \
      > > | nmrPipe -fn TP \
      > > | nmrPipe -fn LP -fb\
      > > | nmrPipe -fn SP -off 0.5 -end 0.95 -pow 2 -c 0.5 \
      > > | nmrPipe -fn ZF -auto\
      > > | nmrPipe -fn FT \
      > > | nmrPipe -fn PS -p0 0 -p1 0 -di -verb\
      > > | nmrPipe -fn POLY -auto \
      > > | nmrPipe -fn EXT -x1 132ppm -xn 107ppm -sw\
      > > | nmrPipe -fn REV\
      > > | nmrPipe -fn TP \
      > > -out $fout -ov -verb
      > > ---------------------------------------------------------
      > >
      > >
      >
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