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- Irefine_hist.d_res_low.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_hist.d_res_lowName:'_refine_hist.d_res_low' Definition: The highest value for the interplanar spacings for the reflection data for this cycle of refinement. This is called the lowest resolution. Type: float Mandatory item: yes The permitted range is [0.0, infinity) Category: refine_hist...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_hist.d_res_low.html
- Irefine_hist.d_res_high.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_hist.d_res_highName:'_refine_hist.d_res_high' Definition: The lowest value for the interplanar spacings for the reflection data for this cycle of refinement. This is called the highest resolution. Type: float Mandatory item: yes The permitted range is [0.0, infinity) Category: refine_hist...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_hist.d_res_high.html
- Irefine_hist.cycle_id.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_hist.cycle_idName:'_refine_hist.cycle_id' Definition: The value of _refine_hist.cycle_id must uniquely identify a record in the REFINE_HIST list. Note that this item need not be a number; it can be any unique identifier. Type: code Mandatory item: yes Category: refine ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_hist.cycle_id.html
- Irefine_hist.R_factor_obs.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_hist.R_factor_obsName:'_refine_hist.R_factor_obs' Definition: Residual factor R for reflections that satisfy the resolution limits established by _refine_hist.d_res_high and _refine_hist.d_res_low and the observation criterion established by _reflns.observed_criterion. sum|F~obs~ - F~calc~| R = --------------------- sum ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_hist.R_factor_obs.html
- Irefine_hist.R_factor_all.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_hist.R_factor_allName:'_refine_hist.R_factor_all' Definition: Residual factor R for reflections that satisfy the resolution limits established by _refine_hist.d_res_high and _refine_hist.d_res_low. sum|F~obs~ - F~calc~| R = --------------------- sum|F~obs~| F~obs~ = the observed structure-factor ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_hist.R_factor_all.html
- Irefine_hist.R_factor_R_work.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_hist.R_factor_R_workName:'_refine_hist.R_factor_R_work' Definition: Residual factor R for reflections that satisfy the resolution limits established by _refine_hist.d_res_high and _refine_hist.d_res_low and the observation limit established by _reflns.observed_criterion, and that were used as ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_hist.R_factor_R_work.html
- Irefine_hist.R_factor_R_free.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_hist.R_factor_R_freeName:'_refine_hist.R_factor_R_free' Definition: Residual factor R for reflections that satisfy the resolution limits established by _refine_hist.d_res_high and _refine_hist.d_res_low and the observation limit established by _reflns.observed_criterion, and that were used as ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_hist.R_factor_R_free.html
- Irefine_funct_minimized.weight.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_funct_minimized.weightName:'_refine_funct_minimized.weight' Definition: The weight applied to this term of the function that was minimized during the refinement. Type: float Mandatory item: no Alias: _ebi_refine_funct_minimized.weight (ebi_extensions version 1.0) Category: refine_funct_minimized...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_funct_minimized.weight.html
- Irefine_funct_minimized.type.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_funct_minimized.typeName:'_refine_funct_minimized.type' Definition: The type of the function being minimized. Type: line Mandatory item: yes Alias: _ebi_refine_funct_minimized.type (ebi_extensions version 1.0) Category: refine_funct_minimized...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_funct_minimized.type.html
- Irefine_funct_minimized.residual.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_funct_minimized.residualName:'_refine_funct_minimized.residual' Definition: The residual for this term of the function that was minimized during the refinement. Type: float Mandatory item: no Alias: _ebi_refine_funct_minimized.Residual (ebi_extensions version 1.0) The permitted range is [0.0, infinity) Category: refine_funct_minimized...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_funct_minimized.residual.html
- Irefine_funct_minimized.number_terms.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_funct_minimized.number_termsName:'_refine_funct_minimized.number_terms' Definition: The number of observations in this term. For example, if the term is a residual of the X-ray intensities, this item would contain the number of reflections used in the refinement. Type: int Mandatory item ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_funct_minimized.number_terms.html
- Crefine_funct_minimized.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 Category REFINE_FUNCT_MINIMIZED Name: 'refine_funct_minimized' Description: Data items in the REFINE_FUNCT_MINIMIZED category record details about the individual terms of the function minimized during refinement. Example: Example 1 - based on RESTRAIN refinement for the CCP4 test data set toxd. loop_ _refine ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Crefine_funct_minimized.html
- Irefine_analyze.occupancy_sum_non_hydrogen.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_analyze.occupancy_sum_non_hydrogenName:'_refine_analyze.occupancy_sum_non_hydrogen' Definition: The sum of the occupancies of the non-hydrogen atoms in the refined model. Type: float Mandatory item: no Category: refine_analyze...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_analyze.occupancy_sum_non_hydrogen.html
- Irefine_analyze.occupancy_sum_hydrogen.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_analyze.occupancy_sum_hydrogenName:'_refine_analyze.occupancy_sum_hydrogen' Definition: The sum of the occupancies of the hydrogen atoms in the refined model. Type: float Mandatory item: no Category: refine_analyze...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_analyze.occupancy_sum_hydrogen.html
- Irefine_analyze.number_disordered_residues.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_analyze.number_disordered_residuesName:'_refine_analyze.number_disordered_residues' Definition: The number of discretely disordered residues in the refined model. Type: float Mandatory item: no Category: refine_analyze...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_analyze.number_disordered_residues.html
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