Data Item _reflns_class.R_Fsqd_factor

General

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

Item Description

For each reflection class, the residual factor R(F2) calculated on the squared amplitudes of the observed and calculated structure factors for the reflections judged significantly intense (i.e. satisfying the threshold specified by _reflns.threshold_expression) and included in the refinement. The reflections also satisfy the resolution limits established by _reflns_class.d_res_high and _reflns_class.d_res_low. sum | F(obs)2 - F(calc)2 | R(Fsqd) = ------------------------------- sum F(obs)2 F(obs)2 = squares of the observed structure-factor amplitudes F(calc)2 = squares of the calculated structure-factor amplitudes 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_R_Fsqd_factor cif_core.dic 2.3