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: [email protected]
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.
_______________________________________________________
Reply to this item at:
<http://gna.org/bugs/?17457>
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