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- Irefine.solvent_model_param_bsol.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine.solvent_model_param_bsolName:'_refine.solvent_model_param_bsol' Definition: The value of the BSOL solvent-model parameter describing the average isotropic displacement parameter of disordered solvent atoms. This is one of the two parameters (the other is _refine.solvent_model_param_ksol) in Tronrud's method ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine.solvent_model_param_bsol.html
- Irefine.solvent_model_details.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine.solvent_model_detailsName:'_refine.solvent_model_details' Definition: Special aspects of the solvent model used during refinement. Type: text Mandatory item: no Category: refine...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine.solvent_model_details.html
- Crefine_ls_restr_ncs.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 Category REFINE_LS_RESTR_NCS Name: 'refine_ls_restr_ncs' Description: Data items in the REFINE_LS_RESTR_NCS category record details about the restraints applied to atom positions in domains related by noncrystallographic symmetry during least-squares refinement, and also about the deviation of ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Crefine_ls_restr_ncs.html
- Ireflns.observed_criterion_sigma_I.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _reflns.observed_criterion_sigma_IName:'_reflns.observed_criterion_sigma_I' Definition: The criterion used to classify a reflection as 'observed' expressed as a multiple of the value of sigma(I). Type: float Mandatory item: no Related items: _reflns.observed_criterion (alternate) _reflns.observed_criterion_sigma_F (convention) Category ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Ireflns.observed_criterion_sigma_I.html
- Ireflns.observed_criterion_sigma_F.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _reflns.observed_criterion_sigma_FName:'_reflns.observed_criterion_sigma_F' Definition: The criterion used to classify a reflection as 'observed' expressed as a multiple of the value of sigma(F). Type: float Mandatory item: no Related items: _reflns.observed_criterion (alternate) _reflns.observed_criterion_sigma_I (convention) Category ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Ireflns.observed_criterion_sigma_F.html
- Irefine.ls_redundancy_reflns_obs.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine.ls_redundancy_reflns_obsName:'_refine.ls_redundancy_reflns_obs' Definition: The ratio of the total number of observations of the 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 to ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine.ls_redundancy_reflns_obs.html
- Irefine.ls_redundancy_reflns_all.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine.ls_redundancy_reflns_allName:'_refine.ls_redundancy_reflns_all' Definition: The ratio of the total number of observations of the reflections that satisfy the resolution limits established by _refine.ls_d_res_high and _refine.ls_d_res_low to the number of crystallographically unique reflections that satisfy ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine.ls_redundancy_reflns_all.html
- Irefine_ls_shell.redundancy_reflns_obs.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_ls_shell.redundancy_reflns_obsName:'_refine_ls_shell.redundancy_reflns_obs' Definition: The ratio of the total number of observations of the reflections that satisfy the resolution limits established by _refine_ls_shell.d_res_high and _refine_ls_shell.d_res_low and the observation criterion established ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_ls_shell.redundancy_reflns_obs.html
- Irefine_ls_shell.redundancy_reflns_all.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_ls_shell.redundancy_reflns_allName:'_refine_ls_shell.redundancy_reflns_all' Definition: The ratio of the total number of observations of the reflections that satisfy the resolution limits established by _refine_ls_shell.d_res_high and _refine_ls_shell.d_res_low to the number of crystallographically ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_ls_shell.redundancy_reflns_all.html
- Irefine_ls_shell.R_factor_R_free_error.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_ls_shell.R_factor_R_free_errorName:'_refine_ls_shell.R_factor_R_free_error' Definition: The estimated error in _refine_ls_shell.R_factor_R_free. The method used to estimate the error is described in the item _refine.ls_R_factor_R_free_error_details. Type ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_ls_shell.R_factor_R_free_error.html
- Irefine_ls_shell.percent_reflns_obs.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_ls_shell.percent_reflns_obsName:'_refine_ls_shell.percent_reflns_obs' Definition: The number of reflections that satisfy the resolution limits established by _refine_ls_shell.d_res_high and _refine_ls_shell.d_res_low and the observation criterion established by _reflns.observed_criterion, expressed as a percentage ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_ls_shell.percent_reflns_obs.html
- Irefine.ls_R_factor_R_free_error_details.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine.ls_R_factor_R_free_error_detailsName:'_refine.ls_R_factor_R_free_error_details' Definition: Special aspects of the method used to estimate the error in _refine.ls_R_factor_R_free. Type: text Mandatory item: no Category: refine...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine.ls_R_factor_R_free_error_details.html
- Irefine.ls_R_factor_R_free_error.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine.ls_R_factor_R_free_errorName:'_refine.ls_R_factor_R_free_error' Definition: The estimated error in _refine.ls_R_factor_R_free. The method used to estimate the error is described in the item _refine.ls_R_factor_R_free_error_details. Type: float Mandatory item ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine.ls_R_factor_R_free_error.html
- Irefine.ls_percent_reflns_obs.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine.ls_percent_reflns_obsName:'_refine.ls_percent_reflns_obs' Definition: The number of 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, expressed as a percentage of the number of ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine.ls_percent_reflns_obs.html
- Irefine.B_iso_mean.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine.B_iso_meanName:'_refine.B_iso_mean' Definition: The mean isotropic displacement parameter (B value) for the coordinate set. Type: float Mandatory item: no Category: refine...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine.B_iso_mean.html
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