PDBx/mmCIF
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Data Category refine_ls_restr

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General

Category name
refine_ls_restr
Required in PDB entries
no
Category group membership
refine_group
Used in current PDB entries
Yes, in about 82.1 % of entries

Category Relationship Diagrams

70
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70
View abbreviated category relationship diagram including only those categories used in current PDB entries.

Category Description 

               Data items in the REFINE_LS_RESTR category record details about
               the restraints applied to various classes of parameters during
               the least-squares refinement.

Category Example

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    loop_
    _refine_ls_restr.pdbx_refine_id
    _refine_ls_restr.type
    _refine_ls_restr.dev_ideal_target
    _refine_ls_restr.dev_ideal
    _refine_ls_restr.number
    _refine_ls_restr.criterion
    _refine_ls_restr.rejects
     'X-RAY DIFFRACTION'  'bond_d'           0.020  0.018  1654  '> 2\s'  22
     'X-RAY DIFFRACTION'  'angle_d'          0.030  0.038  2246  '> 2\s'  139
     'X-RAY DIFFRACTION'  'planar_d'         0.040  0.043  498   '> 2\s'  21
     'X-RAY DIFFRACTION'  'planar'           0.020  0.015  270   '> 2\s'  1
     'X-RAY DIFFRACTION'  'chiral'           0.150  0.177  278   '> 2\s'  2
     'X-RAY DIFFRACTION'  'singtor_nbd'      0.500  0.216  582   '> 2\s'  0
     'X-RAY DIFFRACTION'  'multtor_nbd'      0.500  0.207  419   '> 2\s'  0
     'X-RAY DIFFRACTION'  'xyhbond_nbd'      0.500  0.245  149   '> 2\s'  0
     'X-RAY DIFFRACTION'  'planar_tor'       3.0    2.6    203   '> 2\s'  9
     'X-RAY DIFFRACTION'  'staggered_tor'    15.0   17.4   298   '> 2\s'  31
     'X-RAY DIFFRACTION'  'orthonormal_tor'  20.0   18.1   12    '> 2\s'  1

Key Data Items

Category Data Items

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