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Item _refine_hist.R_factor_R_free
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Description
Residual factor R for reflections that satisfy the resolution
limits established by _refine_hist.d_res_high and
_refine_hist.d_res_low and the observation limit
established by _reflns.observed_criterion, and that were used
as the test (i.e., excluded from refinement) reflections when
refinement included calculation of a "free" R factor. Details
of how reflections were assigned to the working and test sets
are given in _reflns.R_free_details.
sum|F~obs~ - F~calc~|
R = ---------------------
sum|F~obs~|
F~obs~ = the observed structure factor amplitudes
F~calc~ = the calculated structure factor amplitudes
sum is taken over the specified reflections
Category
refine_hist
Mandatory Code
no
Data Type Code
float
Enumeration Range
Minimum Value |
Maximum Value |
0.0 |
n.a. |
0.0 |
0.0 |
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