Follow-up Comment #5, bug #22021 (project relax):
In this map, we can see that the chi2 surface is exceeding the original
point.
The B14 model will newer be able to find the right solution.
'kex': 2200.0, 'pA': 0.993, 'dw': 3.0
Params for dx map is
['dw', 'pA', 'kex']
Point creating dx map is
[3.0, 0.99299999999999999, 2200.0]
Minimises point in dx map is
[0.50535022171617983, 0.57037090980347982, 2661.6589733379942]
########################
Generated data with MODEL:NS CPMG 2-site expanded
Analysing with MODEL:B14.
########################
For spin: ':1@N'
B14 Ala :1@N r2 599.9 GRID=25.368 MIN=24.892 CLUST=24.892 SET=25.000
RELC=0.004
B14 Ala :1@N r2 499.9 GRID=24.255 MIN=23.955 CLUST=23.955 SET=24.000
RELC=0.002
B14 Ala :1@N pA GRID=0.800 MIN=0.570 CLUST=0.570 SET=0.993 RELC=0.741
###################################
WARNING: pA Have relative change above 0.05, and is 0.7410.
###################################
B14 Ala :1@N dw GRID=0.500 MIN=0.505 CLUST=0.505 SET=3.000 RELC=4.936
###################################
WARNING: dw Have relative change above 0.05, and is 4.9365.
###################################
B14 Ala :1@N kex GRID=2000.800 MIN=2661.659 CLUST=2661.659 SET=2200.000
RELC=0.173
###################################
WARNING: kex Have relative change above 0.05, and is 0.1734.
###################################
(file #20707, file #20708, file #20709)
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Additional Item Attachment:
File name: B14_fail_numeric_cpmg_synthetic_map.png Size:353 KB
File name: B14_fail_numeric_cpmg_synthetic.py Size:24 KB
File name: B14_fail_numeric_cpmg_synthetic_disp.png Size:7 KB
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[bug #22021] Model B14 shows bad fitting to data.