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Irefine_occupancy.value.html
Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_occupancy.valueName:'_refine_occupancy.value' Definition: The value of occupancy assigned to a class of atoms defined in _refine_occupancy.class. Meaningful only for atoms with fixed occupancy. Examples: 1.0 0.41 Type: float Mandatory item: no The permitted range is [0.0, 1.0] Category: refine_occupancy...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_occupancy.value.html

Irefine_occupancy.treatment.html
Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_occupancy.treatmentName:'_refine_occupancy.treatment' Definition: The treatment of occupancies for a class of atoms described in _refine_occupancy.class. Type: ucode Mandatory item: no The data value must be one of the following: fix fixed ref refined Category: refine_occupancy...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_occupancy.treatment.html

Irefine_occupancy.details.html
Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_occupancy.detailsName:'_refine_occupancy.details' Definition: A description of special aspects of the occupancy refinement for a class of atoms described in _refine_occupancy.class. Example: ; The inhibitor binds to the enzyme in two alternative conformations. The occupancy of each conformation was adjusted so as to result ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_occupancy.details.html

Irefine_occupancy.class.html
Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_occupancy.className:'_refine_occupancy.class' Definition: The class of atoms treated similarly for occupancy refinement. Examples: all protein solvent 'sugar-phosphate backbone' Type: text Mandatory item: yes Category: refine_occupancy...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_occupancy.class.html

Crefine_occupancy.html
Index Macromolecular dictionary (mmCIF) version 2.0.09 Category REFINE_OCCUPANCY Name: 'refine_occupancy' Description: Data items in the REFINE_OCCUPANCY category record details about the treatment of atom occupancies during refinement. Example: Example 1 - based on PDB entry 5HVP and laboratory records for the structure corresponding to PDB entry 5HVP. loop_ _refine ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Crefine_occupancy.html

Irefine_ls_shell.wR_factor_obs.html
Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_ls_shell.wR_factor_obsName:'_refine_ls_shell.wR_factor_obs' Definition: Weighted residual factor wR for 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. ( sum|w ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_ls_shell.wR_factor_obs.html

Irefine_ls_shell.wR_factor_all.html
Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_ls_shell.wR_factor_allName:'_refine_ls_shell.wR_factor_all' Definition: Weighted residual factor wR for reflections that satisfy the resolution limits established by _refine_ls_shell.d_res_high and _refine_ls_shell.d_res_low. ( sum|w |Y~obs~ - Y~calc~|^2^| )^1/2^ wR ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_ls_shell.wR_factor_all.html

Irefine_ls_shell.wR_factor_R_work.html
Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_ls_shell.wR_factor_R_workName:'_refine_ls_shell.wR_factor_R_work' Definition: Weighted residual factor wR for reflections that satisfy the resolution limits established by _refine_ls_shell.d_res_high and _refine_ls_shell.d_res_low and the observation limit established by _reflns.observed_criterion ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_ls_shell.wR_factor_R_work.html

Irefine_ls_shell.number_reflns_R_work.html
Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_ls_shell.number_reflns_R_workName:'_refine_ls_shell.number_reflns_R_work' 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 limit established by _reflns.observed_criterion, and that ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_ls_shell.number_reflns_R_work.html

Irefine_ls_shell.d_res_low.html
Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_ls_shell.d_res_lowName:'_refine_ls_shell.d_res_low' Definition: The highest value for the interplanar spacings for the reflection data in this shell. This is called the lowest resolution. Type: float Mandatory item: yes The permitted range is [0.0, infinity) Category: refine_ls ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_ls_shell.d_res_low.html

Irefine_ls_shell.R_factor_obs.html
Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_ls_shell.R_factor_obsName:'_refine_ls_shell.R_factor_obs' Definition: Residual factor R for 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. sum|F~obs ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_ls_shell.R_factor_obs.html

Irefine_ls_shell.R_factor_all.html
Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_ls_shell.R_factor_allName:'_refine_ls_shell.R_factor_all' Definition: Residual factor R for reflections that satisfy the resolution limits established by _refine_ls_shell.d_res_high and _refine_ls_shell.d_res_low. sum|F~obs~ - F~calc~| R = --------------------- sum|F~obs~| F~obs ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_ls_shell.R_factor_all.html

Irefine_ls_shell.R_factor_R_work.html
Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_ls_shell.R_factor_R_workName:'_refine_ls_shell.R_factor_R_work' Definition: Residual factor R for reflections that satisfy the resolution limits established by _refine_ls_shell.d_res_high and _refine_ls_shell.d_res_low and the observation limit established by _reflns.observed_criterion, and ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_ls_shell.R_factor_R_work.html

Irefine_ls_restr_type.type.html
Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_ls_restr_type.typeName:'_refine_ls_restr_type.type' Definition: This data item is a pointer to _refine_ls_restr.type in the REFINE_LS_RESTR category. Type: line Mandatory item: yes Category: refine_ls_restr_type...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_ls_restr_type.type.html

Irefine_ls_restr_type.distance_cutoff_low.html
Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_ls_restr_type.distance_cutoff_lowName:'_refine_ls_restr_type.distance_cutoff_low' Definition: The lower limit in angstroms of the distance range applied to the current restraint type. Type: float Mandatory item: no The permitted range is [0.0, infinity) Category: refine_ls_restr_type...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_ls_restr_type.distance_cutoff_low.html


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