Data Item _refine.ls_R_I_factor_obs

General

Item name
_refine.ls_R_I_factor_obs
Category name
refine
Attribute name
ls_R_I_factor_obs
Required in PDB entries
no
Used in currrent PDB entries
No

Item Description

Residual factor R(I) for reflections that satisfy the resolution limits established by _refine.ls_d_res_high and _refine.ls_d_res_low and the observation limit established by _reflns.observed_criterion, calculated on the estimated reflection intensities. This is most often calculated in Rietveld refinements against powder data, where it is referred to as RB or RBragg. sum|Iobs - Icalc| R(I) = --------------------- sum|Iobs| Iobs = the net observed intensities Icalc = the net calculated intensities sum is taken over the specified reflections

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
_refine_ls_R_I_factor cif_core.dic 2.0.1