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- Irefine_ls_shell.percent_reflns_R_free.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_ls_shell.percent_reflns_R_freeName:'_refine_ls_shell.percent_reflns_R_free' 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.percent_reflns_R_free.html
- Irefine.ls_percent_reflns_R_free.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine.ls_percent_reflns_R_freeName:'_refine.ls_percent_reflns_R_free' 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, and that were used as the ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine.ls_percent_reflns_R_free.html
- Irefine_ls_restr.weight.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_ls_restr.weightName:'_refine_ls_restr.weight' Definition: The weighting value applied to this type of restraint in the least-squares refinement. Type: float Mandatory item: no Category: refine_ls_restr...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_ls_restr.weight.html
- Ireflns.percent_possible_obs.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _reflns.percent_possible_obsName:'_reflns.percent_possible_obs' Definition: The percentage of geometrically possible reflections represented by reflections that satisfy the resolution limits established by _reflns.d_resolution_high and _reflns.d_resolution_low and the observation limit established by _reflns.observed_criterion. Type: float Mandatory item: no The permitted ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Ireflns.percent_possible_obs.html
- Ireflns.B_iso_Wilson_estimate.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _reflns.B_iso_Wilson_estimateName:'_reflns.B_iso_Wilson_estimate' Definition: The value of the overall isotropic displacement parameter estimated from the slope of the Wilson plot. Type: float Mandatory item: no Category: reflns...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Ireflns.B_iso_Wilson_estimate.html
- Ireflns.Rmerge_F_obs.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _reflns.Rmerge_F_obsName:'_reflns.Rmerge_F_obs' Definition: Residual factor Rmerge for reflections that satisfy the resolution limits established by _reflns.d_resolution_high and _reflns.d_resolution_low and the observation limit established by _reflns.observed_criterion. sum~i~(sum~j~|F~j~ - <F|) Rmerge(F) = -------------------------- sum~i ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Ireflns.Rmerge_F_obs.html
- Ireflns.Rmerge_F_all.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _reflns.Rmerge_F_allName:'_reflns.Rmerge_F_all' Definition: Residual factor Rmerge for all reflections that satisfy the resolution limits established by _reflns.d_resolution_high and _reflns.d_resolution_low. sum~i~(sum~j~|F~j~ - <F|) Rmerge(F) = -------------------------- sum~i~(sum~j~<F) F~j~ = the amplitude ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Ireflns.Rmerge_F_all.html
- Iphasing.method.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _phasing.methodName:'_phasing.method' Definition: A listing of the method or methods used to phase this structure. Examples: abinitio phasing by ab initio methods averaging phase improvement by averaging over multiple images of the structure dm phasing by direct methods isas phasing by iterative single-wavelength anomalous ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Iphasing.method.html
- Iexptl_crystal_grow.temp_details.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _exptl_crystal_grow.temp_detailsName:'_exptl_crystal_grow.temp_details' Definition: A description of special aspects of temperature control during crystal growth. Type: text Mandatory item: no Category: exptl_crystal_grow...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Iexptl_crystal_grow.temp_details.html
- Idiffrn.ambient_temp_details.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _diffrn.ambient_temp_detailsName:'_diffrn.ambient_temp_details' Definition: A description of special aspects of temperature control during data collection. Type: text Mandatory item: no Category: diffrn...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Idiffrn.ambient_temp_details.html
- Ichem_comp_chir_atom.comp_id.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _chem_comp_chir_atom.comp_idName:'_chem_comp_chir_atom.comp_id' Definition: This data item is a pointer to _chem_comp.id in the CHEM_COMP category. Mandatory item: yes...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Ichem_comp_chir_atom.comp_id.html
- Cchem_comp_plane_atom.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 Category CHEM_COMP_PLANE_ATOM Name: 'chem_comp_plane_atom' Description: Data items in the CHEM_COMP_PLANE_ATOM category enumerate the atoms in a plane within a chemical component. Example: Example 1 - based on PDB entry 5HVP and laboratory records for the structure corresponding ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Cchem_comp_plane_atom.html
- Ichem_comp_plane_atom.comp_id.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _chem_comp_plane_atom.comp_idName:'_chem_comp_plane_atom.comp_id' Definition: This data item is a pointer to _chem_comp.id in the CHEM_COMP category. Mandatory item: yes...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Ichem_comp_plane_atom.comp_id.html
- Cchem_comp_tor_value.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 Category CHEM_COMP_TOR_VALUE Name: 'chem_comp_tor_value' Description: Data items in the CHEM_COMP_TOR_VALUE category record details about the target values for the torsion angles enumerated in the CHEM_COMP_TOR list. Target values may be specified as angles in ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Cchem_comp_tor_value.html
- Ichem_comp_tor_value.comp_id.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _chem_comp_tor_value.comp_idName:'_chem_comp_tor_value.comp_id' Definition: This data item is a pointer to _chem_comp_atom.comp_id in the CHEM_COMP_ATOM category. Mandatory item: yes...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Ichem_comp_tor_value.comp_id.html
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