mail[bug #22024] Minimisation space for CR72 is catastrophic. The chi2 surface over dw and pA is bounded.


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Posted by Troels E. Linnet on May 10, 2014 - 18:29:
Follow-up Comment #8, bug #22024 (project relax):

And for this setup, where you have only 1 field, and dw=1.2

Why is it finding a solution under the chi2 surface sheet???



Params for dx map is
['dw', 'pA', 'kex']
Point creating dx map is
[1.2, 0.99299999999999999, 2200.0]
Minimises point in dx map is
[5.5418405143389711, 0.50000101059958624, 0.96403927774135734]

########################
Generated data with MODEL:NS CPMG 2-site expanded
Analysing with MODEL:CR72.
########################

For spin: ':1@N'
CR72 Ala :1@N r2 599.9 GRID=25.031 MIN=25.081 CLUST=25.081 SET=25.000
RELC=0.003
CR72 Ala :1@N pA GRID=0.500 MIN=0.500 CLUST=0.500 SET=0.993 RELC=0.986
###################################
WARNING: pA Have relative change above 0.05, and is 0.9860.
###################################

CR72 Ala :1@N dw GRID=6.500 MIN=5.542 CLUST=5.542 SET=1.200 RELC=0.783
###################################
WARNING: dw Have relative change above 0.05, and is 0.7835.
###################################

CR72 Ala :1@N kex GRID=1.000 MIN=0.964 CLUST=0.964 SET=2200.000 RELC=2281.065
###################################
WARNING: kex Have relative change above 0.05, and is 2281.0647.
###################################

(file #20704, file #20705, file #20706)
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Additional Item Attachment:

File name: CR72_one_field_dw_1.2_map_1_N.png Size:191 KB
File name: CR72_fail_one_field.py         Size:24 KB
File name: CR72_one_field_dw_1.2_disp_1_N.png Size:6 KB


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