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Re: [nmrpipe] Error using "nlinLS" function to fit lineshape and extract intensities [1 Attachment]

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  • Frank Delaglio
    SORRY!!! This problem has been discussed in earlier posts. Just get a new version of the software. Uncharacteristically for NMRPipe, nlinLS has a hard-wired
    Message 1 of 1 , Nov 6, 2009
      SORRY!!!

      This problem has been discussed in earlier posts.
      Just get a new version of the software.

      Uncharacteristically for NMRPipe, "nlinLS" has a hard-wired upper
      limit in the number of parameters that can be modeled in the
      evolution dimension. I didn't remove the limit, but I increased
      it to 524.

      Also, in case you haven't used it: these days, "nlinLS" is usually
      operated indirectly via "autoFit.tcl".

      Also also, current versions of NMRPipe have an interactive viewer
      for displaying evolution curves (showEvolve.tcl) which includes
      an option to send them to a fitting application (fitXY.tcl).

      Examples are at the NMRPipe download site, files "relax.tar.Z" and
      "jmod.tar.Z" ...

      Cheerful Regards,

      big fd


      Quoting Sujoy Mukherjee <sujoyiit@...>:

      > Hello,
      >
      > I'm having some problem with lineshape fitting usling the 'nlinLS'
      > function. It gives some strange "memory allocation failure" error
      > that I've not seen before. I've used this to fit lineshapes and
      > extract intensities in pseudo3D datasets, consisting of multiple
      > 1H-15N HSQC type experiments quite regularly for several datasets
      > and worked fine. Its just that one particular dataset is having this
      > problem. Each of my spectra has ~90 peaks with ~20 peaks that are
      > overlapped to some extent - and has been denoted properly using
      > CLUSTID. There are 25 points (Z_A0 to Z_A25) that vary with a
      > relaxation time. All of my spectra have been processed by nmrPipe
      > with ~10Hz of GM linebroadening to give a gaussian lineshape to the
      > peaks.
      > I'm attaching a screenshot of the window that shows up while
      > executing the nlinLS script.
      > If someone has seen this kind of error or can provide some
      > suggestion as to what could cause this, I would highly appreciate it.
      > Many thanks in advance,
      > Sujoy.
      >
      >
      >
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