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


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Posted by Troels E. Linnet on May 08, 2014 - 01:11:
Follow-up Comment #3, bug #22021 (project relax):

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Generated data with MODEL:NS CPMG 2-site expanded
Analysing with MODEL:B14.
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For spin: ':1@N'
B14 Ala :1@N r2 599.9 GRID=20.093 MIN=19.994 CLUST=19.994 SET=20.000
RELC=0.000
B14 Ala :1@N pA GRID=0.950 MIN=0.556 CLUST=0.556 SET=0.993 RELC=0.787
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WARNING: pA Have relative change above 0.05, and is 0.7871.
###################################

B14 Ala :1@N dw GRID=0.500 MIN=0.251 CLUST=0.251 SET=1.500 RELC=4.986
###################################
WARNING: dw Have relative change above 0.05, and is 4.9858.
###################################

B14 Ala :1@N kex GRID=2500.750 MIN=2326.717 CLUST=2326.717 SET=2200.000
RELC=0.054
###################################
WARNING: kex Have relative change abo

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