[bug #17457] Curve fitting - 'volume' is not yet recognised by program. -- January 10, 2011 - 15:22

URL:
  <http://gna.org/bugs/?17457>

                 Summary: Curve fitting - 'volume' is not yet recognised by
program.
                 Project: relax
            Submitted by: None
            Submitted on: Mon 10 Jan 2011 02:22:12 PM UTC
                Category: relax's source code
                Severity: 3 - Normal
                Priority: 5 - Normal
                  Status: None
                 Privacy: Public
             Assigned to: None
         Originator Name: Madeleine Strickland
        Originator Email: M.Strickland@xxxxxxxxxxxxx
             Open/Closed: Open
         Discussion Lock: Any
                 Release: 1.3.6
        Operating System: GNU/Linux

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Details:

I think in previous releases, when choosing 'int_method' ie peak
heights/volumes, you chose between 'height', 'point sum' and 'other'.  Relax
1.3.6 is not recognising 'point sum' and the program asks for
'height'/'volume'/other'.  'Height' and 'other' work, but with 'volume' the
following error message comes up...

 -----------------------------
...
relax> spectrum.replicated(spectrum_ids=['T2_ncyc1_ave', 'T2_ncyc1b_ave'])

relax> spectrum.replicated(spectrum_ids=['T2_ncyc4_ave', 'T2_ncyc4b_ave'])

relax> spectrum.replicated(spectrum_ids=['T2_ncyc9_ave', 'T2_ncyc9b_ave'])

relax> spectrum.replicated(spectrum_ids=['T2_ncyc11_ave', 'T2_ncyc11b_ave'])

relax> spectrum.error_analysis()
Intensity measure:  Peak volumes.
Replicated spectra:  Yes.
RelaxError: This function has not yet been implemented.

-----------------------------

This happens when using the test suite.




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