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Re: [nmrpipe] Problems using ACME

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  • delaglio@nmrscience.com
    All praise PER EUGEN for this clever bit of detective work. You can also throw stuff at me for making this mistake. I ll have a look myself and fix it soon. As
    Message 1 of 6 , Jun 20, 2007
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      All praise PER EUGEN for this clever bit of detective work.
      You can also throw stuff at me for making this mistake.
      I'll have a look myself and fix it soon.

      As my hero Sir Dinadan says:

      "Lo, said Sir Dinadan, here may a man prove, be a man never so good
      yet may he have a fall, and he was never so wise but he might be
      overseen, and he rideth well that never fell."


      cheerful regards from OSAKA JAPAN
      -big fd

      Quoting Per Eugen Kristiansen <eugen@...>:

      > Hi
      >
      > I finally got everything to work fine with ACME after observing that the
      > error was connected the size of an array....
      >
      > It seems as ACME may have an error depending on the size used on the
      > zero fill option prior to fourier transform (works with -auto!).
      > Changing the zero fill option I was able to fit the COSY with
      > ACME.(Error message went away!) Im not sure why I had the problem, all
      > spectra looked good in nmrDraw and sparky....
      >
      > Best regards
      >
      > per eugen
      >
      > On 18.06.2007 18:29, Tom Anderson wrote:
      >>
      >>
      >> I have been using ACME extensively over the last several months. Can you
      >> be more descriptive about what you mean when you say "nothing happens."
      >> You don't have to alter the starting values to get results from a fit
      >> (sometimes it's better if you do, but it's not essential).
      >>
      >> It sounds like you have everything processed properly, so I'm not sure
      >> why you aren't at least getting some sort of peak simulation.
      >>
      >> Tom Anderson
      >>
      >> On 6/18/07, * Per Eugen Kristiansen* <eugen@kjemi. uio.no
      >> <mailto:eugen@...>> wrote:
      >>
      >> Hi
      >>
      >> I am trying to use ACME to extract J couplings from a data set. I have
      >> succeeded in obtaining a spectra with and without the diagonal as
      >> described in the manual.
      >>
      >> When I use ACME on the test data set everything seems to work fine,
      >> peaks are fitted and they show up in the fitting widow.......
      >>
      >> However, when i try to fit my experimental data nothing seems to
      >> happen.
      >> It does not matter if I try to fit the diagonal or the cosy-cross peaks
      >> i don't get a result in either fitting routine. I believe that the I
      >> have problems with the starting values of the fitting, but since no
      >> error messages or other kinds of messages are printed I'm don't know
      >> what to do.
      >>
      >> I hope that someone out there can help me.
      >>
      >> best regards
      >>
      >> per eugen
      >>
      >>
      >>
      >>
      >> --
      >> Tom Anderson
      >> Graduate Student
      >> Department of Chemistry
      >> University of Illinois at Urbana-Champaign
      >> 450 Roger Adams Laboratory
      >> 600 S. Matthews Ave.
      >> Urbana, IL 61801
      >> (217) 333 6459
      >> tander21@uiuc. edu <mailto:tander21@...>
      >>
      >
      >
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