Re: [sr #2336] xpk files -- May 25, 2009 - 18:57

Thanks for the help. It now works! However, I am having trouble with the error values. The SDev for the noise in the spectra from nmrview is 0.0. However, if I use the RMSD function in sparky to get noise values, the errors on the plotted figures from relax are 4 orders of magnitude bigger than the actual data. I know that the data is of fairly high quality. What is the best method for estimating errors for relax? Thanks. 
  
  ----- Original Message -----
  From: Sébastien Morin <sebastien.morin.1@xxxxxxxxx>
  Date: Monday, May 25, 2009 12:30 pm
  Subject: Re: [sr #2336] xpk files
  To: anonymous <NO-REPLY.INVALID-ADDRESS@xxxxxxx>
  Cc: ecino@xxxxxx, relax-devel@xxxxxxx
  
  > Hi,
  > 
  > 1.
  > The function "spectrum.read_intensities()" is not available in 
  > relax-1.3.3. It is, however, available in the subversion 
  > repository 
  > where most up-to-date changes are located.
  > 
  > 2.
  > If you use relax-1.3.3, you will have to manually set the peak 
  > list 
  > format in the function "relax_fit.read()". For example:
  >     relax_fit.read(file='T2_ncyc1.list', 
  > format='nmrview', 
  > relax_time=0.0176)
  > 
  > Let me know if things now work properly.
  > 
  > Regards,
  > 
  > 
  > Séb  :)
  > 
  > 
  > 
  > anonymous wrote:
  > > Follow-up Comment #3, sr #2336 (project relax):
  > >
  > > I am using 1.3.3. I still have no clue how to get it to expect 
  > nmrview> opposed to sparky. 
  > >
  > >     
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  > >
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  > >
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  > 
  > 
  > -- 
  > Sébastien Morin
  > PhD Student
  > S. Gagné NMR Laboratory
  > Université Laval & PROTEO
  > Québec, Canada
  > 
  
   Elio Cino