Category refine_ls_restr
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 Examples
Example 1:
Example 1 - based on PDB entry 5HVP and laboratory records for the
structure corresponding to PDB entry 5HVP.
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 Category Items
Items in Category refine_ls_restr
