Data Item _refine.ls_number_parameters

General

Item name
_refine.ls_number_parameters
Category name
refine
Attribute name
ls_number_parameters
Required in PDB entries
Used in current PDB entries
Yes, in about 0.9 % of entries

Item Description

The number of parameters refined in the least-squares process. If possible this number should include some contribution from the restrained parameters. The restrained parameters are distinct from the constrained parameters (where one or more parameters are linearly dependent on the refined value of another). Least-squares restraints often depend on geometry or energy considerations and this makes their direct contribution to this number, and to the goodness-of-fit calculation, difficult to assess.

Additional Descriptive Information for Depositors

 
               The number of parameters refined in the least-squares 
               process. If possible this number should include 
               some contribution from the restrained parameters. 
               The restrained parameters are distinct from the 
               constrained parameters (where one or more parameters 
               is linearly dependent on the refined value of 
               another). Least-squares restraints often depend 
               on geometry or energy considerations and this 
               makes their direct contribution to this number, 
               and to the goodness-of-fit calculation, difficult 
               to assess.

Additional Item Example for Depositors

 714

Data Type

Data type code
int
Data type detail
int item types are the subset of numbers that are the negative or positive integers.
Primitive data type code
numb
Regular expression
-?[0-9]+

Allowed Boundary Conditions

Minimum Value Maximum Value
0

+∞

Aliases

Alias Item Name Dictionary Name Dictionary Version
_refine_ls_number_parameters cif_core.dic 2.0.1