mail[sr #2336] xpk files


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Posted by Sébastien Morin on May 06, 2009 - 14:06:

Update of sr #2336 (project relax):

             Assigned to:                    None => semor                  

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Follow-up Comment #1:

Hi,

Welcome to relax.

Here are a few tips that should help you solve your problem. But first, what
relax version do you use (1.2, 1.3 ; release, repository) ?


1.
The function 'relax_fit.read()' doesn't exist.

2.
If you want to read in a NMRView peak list, of course you would like to avoid
an argument such as 'format=sparky'. However, since the function you used is
incorrect, this is not important now.

3.
If you would like to read peak intensities in the purpose of fitting R1 or
R2, I would propose you look at the following sample script:
'sample_scripts/relax_fit.py'. It contains an example on how to use the
function 'spectrum.read_intensities()' to read in intensities from peak
lists.

4.
Finally, for further details on the functions in that sample script, I would
suggest you look in relax manual, which can either be obtained on relax
website (http://www.nmr-relax.com) or by compiling it directly on your system
using: 'scons user_manual_pdf'.

Good luck !


Séb

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