URL:
<http://gna.org/bugs/?24601>
Summary: missing data problem
Project: relax
Submitted by: padrta
Submitted on: Fri 22 Apr 2016 06:24:47 PM UTC
Category: relax's source code
Specific analysis category: Relaxation dispersion
Priority: 5 - Normal
Severity: 4 - Important
Status: None
Assigned to: None
Originator Name:
Originator Email:
Open/Closed: Open
Release: 4.0.1
Discussion Lock: Any
Operating System: *BSD
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Details:
I'm analyzing some CPMG data with the auto-analysis script
(sample_scripts/relax_disp/cpmg_analysis.py). Problem is that I don't have the
same set of spectra for all my residues, i.e. there are missing residues in
some of the peak lists and relax doesn't like that. Minimal example is
attached. The error occurs during initial grid search when relax cannot find
some intensities for r133:
Fitting to spin #CKIRD:133@N, frequency 600120673.6 and dispersion point
111.11
-------------------------------------------------------------------------------
Unconstrained grid search size: 121 (constraints may decrease this size).
RelaxError: The peak intensity data is missing the key '60_111.11_0_1.in'.
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File Attachments:
-------------------------------------------------------
Date: Fri 22 Apr 2016 06:24:47 PM UTC Name: relax_test.zip Size: 18kB By:
padrta
<http://gna.org/bugs/download.php?file_id=27166>
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