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 
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View abbreviated category relationship diagram including only those categories used in current PDB entries.
Category Description
Additional Descriptive Information for Depositors
For the given parameter type, the root-mean-square deviation between the ideal values used as restraints in the least-squares refinement and the values obtained by refinement. For instance, bond distances may deviate by 0.018 Angstroms from ideal values in the current model.The parameter type names include program prefixes. Enter the parameters corresponding to your refinement program.
X-PLOR: x_, CNS: c_, NUCLSQ: n_, PROLSQ: p_, SHELX: s_, TNT: t_, OTHER PROGRAMS: o_
Category Example
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
Additional Category Example for Depositors
loop_
_refine_ls_restr.type
_refine_ls_restr.dev_ideal
x_bond_d 0.015
x_angle_d 0.30
x_angle_deg 2.8
