Item _refine.ls_wR_factor_all
| Top | Dictionary | Category Groups | Categories | Items | Data |
Description
Weighted residual factor wR for all reflections that satisfy the
resolution limits established by _refine.ls_d_res_high and
_refine.ls_d_res_low.
( 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
sum is taken over the specified reflections
Category
refine
Mandatory Code
no
Data Type Code
float
Enumeration Range
| Minimum Value |
Maximum Value |
| 0.0 |
n.a. |
| 0.0 |
0.0 |
Alias Names
| Alias Name |
Dictionary |
Version |
| _refine_ls_wR_factor_all |
cif_core.dic |
2.0.1 |
Related Items
| Top | Dictionary | Category Groups | Categories | Items | Data |
This HTML dictionary was created using the
CIFLIB C Language Application Program Interface
at the
Nucleic Acid Database Project
Rutgers University, Department of Chemistry
New Brunswick, New Jersey
ndbadmin@ndbserver.rutgers.edu