R factors
- all reflections
- _reflns_number_all,
_refine_ls_R_factor_all,
_refine_ls_wR_factor_all
- observer reflections
- _reflns_number_observed,
_refine_ls_R_factor_obs,
_refine_ls_wR_factor_obs
For the modulated structure there is a table where the data for each one of the additional reflections have to be given. The corresponding items are:
- code
- _diffrn_reflns_class_code --
an identifier for the current reflection. Its value can not be changed.
- description
- _diffrn_reflns_class_description -- a brief description of the reflections
in the current class.
- number (all)
- _reflns_class_number_of_reflns_total -- >the total number of reflections
- number (intense)
- _reflns_class_number_of_reflns_gt -- the number of significantly intense reflections
- R (all)
- _refine_ls_class_R_factor_all -- the residual factor for all reflections
- R (intense)
- _refine_ls_class_R_factor_gt -- the residual factor for significantly intense reflections
- wR
- _refine_ls_class_wR_factor_all -- the weighted residual factor for all reflections
[Help on adding a new structure]