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Index

Macromolecular dictionary (mmCIF) version 2.0.09

Category REFINE_FUNCT_MINIMIZED

Name:
'refine_funct_minimized'

Description:

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

Example:

Example 1 - based on RESTRAIN refinement for the CCP4 test 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



Category groups:
    inclusive_group
    refine_group
Category key:
    _refine_funct_minimized.type

Mandatory category: no