[bug #22024] Minimisation space for CR72 is catastrophic. The chi2 surface over dw and pA is bounded. -- May 10, 2014 - 18:27

Follow-up Comment #7, bug #22024 (project relax):

And here, where dw=3, but same setup.

It is "close" to a solution, but cannot find the right one.

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
[2.8238965140976906, 0.99225169978541328, 2257.7073304627365]

########################
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=25.368 MIN=24.998 CLUST=24.998 SET=25.000
RELC=0.000
CR72 Ala :1@N r2 499.9 GRID=24.255 MIN=23.996 CLUST=23.996 SET=24.000
RELC=0.000
CR72 Ala :1@N pA GRID=0.775 MIN=0.992 CLUST=0.992 SET=0.993 RELC=0.001
CR72 Ala :1@N dw GRID=0.500 MIN=2.824 CLUST=2.824 SET=3.000 RELC=0.062
###################################
WARNING: dw Have relative change above 0.05, and is 0.0624.
###################################

CR72 Ala :1@N kex GRID=2000.800 MIN=2257.707 CLUST=2257.707 SET=2200.000
RELC=0.026


(file #20701, file #20702, file #20703)
    _______________________________________________________

Additional Item Attachment:

File name: CR72_small_dw_error_map.png    Size:173 KB
File name: CR72_small_dw_error_disp.png   Size:7 KB
File name: CR72_small_dw_error.py         Size:24 KB


    _______________________________________________________

Reply to this item at:

  <http://gna.org/bugs/?22024>

_______________________________________________
  Message sent via/by Gna!
  http://gna.org/