mail[bug #22021] Model B14 shows bad fitting to data.


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Posted by Troels E. Linnet on May 08, 2014 - 00:51:
Follow-up Comment #1, bug #22021 (project relax):

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_B14

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. 

(file #20681, file #20682, file #20683, file #20684)
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Additional Item Attachment:

File name: pA_kex.png                     Size:64 KB
File name: kex_pA_dw.png                  Size:114 KB
File name: pA_dw.png                      Size:38 KB
File name: dw_kex.png                     Size:68 KB


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