Index

Macromolecular dictionary (mmCIF) version 2.0.09

_refine.ls_R_factor_gt

Name:
'_refine.ls_R_factor_gt'

Definition:

   Residual factor for the reflections (with number given by
   _reflns.number_gt) 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 _refine.ls_d_res_high and
   _refine.ls_d_res_low. This is the conventional R
   factor. See also _refine.ls_wR_factor_ definitions.

       sum | F(obs) - F(calc) |
   R = ------------------------
             sum | F(obs) |

   F(obs)  = the observed structure-factor amplitudes
   F(calc) = the calculated structure-factor amplitudes

   and the sum is taken over the specified reflections

Type: float

Mandatory item: no

Alias:
_refine_ls_R_factor_gt (cif_core.dic version 2.3)
The permitted range is [0.0, infinity)

Related item: _refine.ls_R_factor_obs (alternate)

Category: refine