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Re: {Disarmed} Re: [nmrpipe] Re: Bruk2pipe with NUS data

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  • sette@...
    Hi Matthew, thanks for your explanation. I used my own script to convert the 2D conversion file in a 3D conversion file but now is much more clear to me what
    Message 1 of 6 , Mar 6 11:14 PM
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      Hi Matthew,

      thanks for your explanation.
      I used my own script to convert the 2D conversion file in a 3D
      conversion file but now is much more clear to me what happens,
      especially the stranges 1024 points in F1.
      Thanks a lot !!!

      Frank, one question, everything on NUS is into the nusdemo2d and
      nusdemo3d directories or there are extra files, readme, tutorial on
      the web site?

      Cheers,
      Marco


      delaglio@... ha scritto:

      >
      > Hi All,
      >
      > Just as an added note, the latest NMRPipe schemes for 3D NUS data start
      > by converting the FID as a 2D file, but with parameters filled in for
      > all three dimensions. Then, a subsequent expansion script converts that
      > result into a full 3D FID, with zeros for all the "missing" values.
      >
      > Cheerful Regards,
      >
      > f
      >
      > Quoting "Matthew J. Whitley" <matthew.j.whitley@...>:
      >
      >> Hi Marco,
      >>
      >> I too was confused at first that the bruker-->pipe conversion macro
      >> wasn't getting the details of the acquired data correct when the
      >> data is acquired in NUS mode in TopSpin 3.1.
      >>
      >> I believe this is happening because Bruker has changed the name of
      >> certain parameters in the newest version of TopSpin and in the
      >> newest versions of its standard pulse programs, and so NMRPipe
      >> doesn't know the correct parameters to look for.
      >>
      >> Whatever the cause, I have found that everything works fine when I
      >> manually changing the bruker-->pipe conversion script to correspond
      >> to what I know to be correct about the acquired data.
      >> For example, even though bruk2pipe thinks your data is 2D, you can
      >> change it manually to 3D processing by changing the "Dimension
      >> Count" (upper right column in the NMRPipe Conversion Utility window)
      >> to 3D and then updating the spectral widths, observed frequencies,
      >> centers, etc. to the proper values.
      >>
      >> Your particular results occurred because you have a grid of 64 x 64
      >> = 4096 total pairs of indirect points, 25% of which makes 1024.
      >>
      >> Hope this helps, and good luck!
      >>
      >> Matthew
      >>
      >>
      >>
      >
      >
      >
      >



      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

      www.rete29aprile.it


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