URL:
<http://gna.org/bugs/?22024>
Summary: Minimisation space for CR72 is catastrophic. The
chi2 surface over dw and pA is bounded.
Project: relax
Submitted by: tlinnet
Submitted on: Wed 07 May 2014 10:27:39 PM UTC
Category: relax's source code
Specific analysis category: Relaxation dispersion
Priority: 7 - High
Severity: 4 - Important
Status: None
Assigned to: tlinnet
Originator Name:
Originator Email:
Open/Closed: Open
Release: Repository: trunk
Discussion Lock: Any
Operating System: All systems
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Details:
A chi2 hypersurface was constructed over a map of 'dw', 'pA', 'kex'.
It is exemplified at.
http://wiki.nmr-relax.com/Dx_map
Data was created with:
model_create = MODEL_NS_CPMG_2SITE_EXPANDED
And minimised with:
model_analyse = MODEL_CR72
sfrq_1 = 599.8908617*1E6
time_T2_1 = 0.06
ncycs_1 = [28, 4, 32, 60, 2, 10, 16, 8, 20, 50, 18, 40, 6, 12, 24]
sfrq_2 = 499.8908617*1E6
time_T2_2 = 0.04
ncycs_2 = [20, 16, 10, 36, 2, 12, 4, 22, 18, 40, 14, 26, 8, 32, 24, 6, 28 ]
With spin dynamics created with:
'r2' = 20 rad /s.
'kex' = 2200.0
'dw' = 1.5.
The chi2 surface mapped on the 3 dimensions. shows a highly alarming profile.
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File Attachments:
-------------------------------------------------------
Date: Wed 07 May 2014 10:27:39 PM UTC Name: dw_kex.png Size: 36kB By:
tlinnet
<http://gna.org/bugs/download.php?file_id=20675>
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Date: Wed 07 May 2014 10:27:39 PM UTC Name: dw_pA.png Size: 54kB By:
tlinnet
<http://gna.org/bugs/download.php?file_id=20676>
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Date: Wed 07 May 2014 10:27:39 PM UTC Name: dw_kex_pA.png Size: 78kB By:
tlinnet
<http://gna.org/bugs/download.php?file_id=20677>
-------------------------------------------------------
Date: Wed 07 May 2014 10:27:39 PM UTC Name: kex_pA.png Size: 38kB By:
tlinnet
<http://gna.org/bugs/download.php?file_id=20678>
_______________________________________________________
Reply to this item at:
<http://gna.org/bugs/?22024>
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[bug #22024] Minimisation space for CR72 is catastrophic. The chi2 surface over dw and pA is bounded.