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bruker--->pipe--->sparky

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  • ivaflower
    Hello, I was trying to convert files from bruker to pipe and then to sparky. The spectra are H-H-N15 (3D) but the final sparky file recognizes all three axis
    Message 1 of 3 , Jun 30, 2008
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      Hello,
      I was trying to convert files from bruker to pipe and then to sparky.
      The spectra are H-H-N15 (3D) but the final sparky file recognizes all
      three axis as H1 and none of them as nitrogen.
      My guess is that something went wrong in the conversion form bruker to
      pipe (in the fid.com file), but I don't know how to fix it.
      Is there a way that I can fix this in sparky without starting the
      conversion process all over again.
      Thanks!
    • adelaide98
      ... I don t know a lot about processing (so far). But if everything is processed correctly, and you just need to change the nucleus that is ... shows general
      Message 2 of 3 , Jul 1, 2008
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        --- In nmrpipe@yahoogroups.com, "ivaflower" <ivaflower@...> wrote:
        >
        > Hello,
        > I was trying to convert files from bruker to pipe and then to sparky.
        > The spectra are H-H-N15 (3D) but the final sparky file recognizes all
        > three axis as H1 and none of them as nitrogen.
        > My guess is that something went wrong in the conversion form bruker to
        > pipe (in the fid.com file), but I don't know how to fix it.
        > Is there a way that I can fix this in sparky without starting the
        > conversion process all over again.
        > Thanks!
        >

        I don't know a lot about processing (so far). But if everything is
        processed correctly, and you just need to change the nucleus that is
        assigned to an axis, here's how:


        > ucsfdata filename.ucsf
        shows general information about your .ucsf file, including what
        nucleus is assigned to each axis (w1, w2, w3).

        > ucsfdata
        by itself shows general usage of the command, including the -aN
        modifier which can change the nucleus assigned to the N axis, e.g.:

        > ucsfdata -a1 15N filename.ucsf
        changes the w1 axis to 15N
      • sette@uniroma2.it
        Hi, you can shift the ppm axis (st command) but if something is wrong in the conversion may be you don t have the right frequencies on your axis and the
        Message 3 of 3 , Jul 1, 2008
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          Hi,

          you can shift the ppm axis (st command) but if something is wrong in
          the conversion may be you don't have the right frequencies on your
          axis and the problems are not solved shifting the ppm values. I
          suggest to run the conversion script again.
          Bye,
          Marco


          Citando ivaflower <ivaflower@...>:

          > Hello,
          > I was trying to convert files from bruker to pipe and then to sparky.
          > The spectra are H-H-N15 (3D) but the final sparky file recognizes all
          > three axis as H1 and none of them as nitrogen.
          > My guess is that something went wrong in the conversion form bruker to
          > pipe (in the fid.com file), but I don't know how to fix it.
          > Is there a way that I can fix this in sparky without starting the
          > conversion process all over again.
          > Thanks!
          >
          >



          Dr.Marco Sette, Ph.D.

          Department of Chemical Sciences and Technology
          University of Rome, "Tor Vergata"
          via della Ricerca Scientifica, 00133, Rome, Italy
          e-mail: sette@...
          e-mail: m77it@...
          Tel.: +39-0672594424
          Fax: +39-0672594328
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