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
View full category relationship diagram including all dictionary data categories
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'  'bond_d'           0.020  0.018  1654  '> 2\s'  22
     'X-ray'  'angle_d'          0.030  0.038  2246  '> 2\s'  139
     'X-ray'  'planar_d'         0.040  0.043  498   '> 2\s'  21
     'X-ray'  'planar'           0.020  0.015  270   '> 2\s'  1
     'X-ray'  'chiral'           0.150  0.177  278   '> 2\s'  2
     'X-ray'  'singtor_nbd'      0.500  0.216  582   '> 2\s'  0
     'X-ray'  'multtor_nbd'      0.500  0.207  419   '> 2\s'  0
     'X-ray'  'xyhbond_nbd'      0.500  0.245  149   '> 2\s'  0
     'X-ray'  'planar_tor'       3.0    2.6    203   '> 2\s'  9
     'X-ray'  'staggered_tor'    15.0   17.4   298   '> 2\s'  31
     'X-ray'  'orthonormal_tor'  20.0   18.1   12    '> 2\s'  1

Key Data Items

Category Data Items

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