PDBx/mmCIF
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Data Category refine_funct_minimized

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General

Category name
refine_funct_minimized
Required in PDB entries
no
Category group membership
refine_group
Used in current PDB entries
Yes, in about 0.01 % of entries

Category Relationship Diagrams

70
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70
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Category Description 

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

Category Example

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

Key Data Items

Category Data Items

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