Data Item _reflns_class.wR_factor_all

General

Item name
_reflns_class.wR_factor_all
Category name
reflns_class
Attribute name
wR_factor_all
Required in PDB entries
no
Used in currrent PDB entries
No

Item Description

For each reflection class, the weighted residual factors for all reflections included in the refinement. The reflections also satisfy the resolution limits established by _reflns_class.d_res_high and _reflns_class.d_res_low. See also _reflns_class.R_factor_ definitions. ( sum w [ Y(obs) - Y(calc) ]2 )1/2 wR = ( ------------------------------ ) ( sum w Y(obs)2 ) Y(obs) = the observed amplitude specified by _refine.ls_structure_factor_coef Y(calc) = the calculated amplitude specified by _refine.ls_structure_factor_coef w = the least-squares weight and the sum is taken over the reflections of this class.

Data Type

Data type code
float
Data type detail
float item types are the subset of numbers that are the floating numbers.
Primitive data type code
numb
Regular expression
-?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)?

Allowed Boundary Conditions

Minimum Value Maximum Value
0.0

+∞

Aliases

Alias Item Name Dictionary Name Dictionary Version
_reflns_class_wR_factor_all cif_core.dic 2.3