Category refine_funct_minimized

Category Description

              Data items in the REFINE_FUNCT_MINIMIZED category record
               details about the individual terms of the function minimized
               during refinement.




Category Examples




Example 1:

    Example 1 - based on RESTRAIN refinement for the CCP4 text data set
                toxd.




     loop_
    _refine_funct_minimized.type
    _refine_funct_minimized.number_terms
    _refine_funct_minimized.residual
    'sum(W*Delta(Amplitude)^2'               3009      1621.3
    'sum(W*Delta(Plane+Rigid)^2'               85       56.68
    'sum(W*Delta(Distance)^2'                1219      163.59
    'sum(W*Delta(U-tempfactors)^2'           1192      69.338




Key Category Items

• _refine_funct_minimized.type



Items in Category refine_funct_minimized

Item Name	Mandatory Code
_refine_funct_minimized.number_terms	no
_refine_funct_minimized.residual	no
_refine_funct_minimized.type	yes
_refine_funct_minimized.weight	no


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This HTML dictionary was created using the
CIFLIB C Language Application Program Interface
at the
Nucleic Acid Database Project
Rutgers University, Department of Chemistry
New Brunswick, New Jersey
ndbadmin@ndbserver.rutgers.edu