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- Ichem_comp_atom.atom_id.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _chem_comp_atom.atom_idName:'_chem_comp_atom.atom_id' Definition: The value of _chem_comp_atom.atom_id must uniquely identify each atom in each monomer in the CHEM_COMP_ATOM list. The atom identifiers need not be unique over all atoms in the data block; they ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Ichem_comp_atom.atom_id.html
- Idatabase_PDB_rev.status.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _database_PDB_rev.statusName:'_database_PDB_rev.status' Definition: The status of this revision. Type: uline Mandatory item: no The data value must be one of the following: 'in preparation' prerelease 'full release' obsolete Category: database_PDB_rev...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Idatabase_PDB_rev.status.html
- Istruct_conn_type.id.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _struct_conn_type.idName:'_struct_conn_type.id' Definition: The chemical or structural type of the interaction. Type: ucode Mandatory item: yes The following item(s) have an equivalent role in their respective categories: _struct_conn.conn_type_id The data value must be one of the following ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Istruct_conn_type.id.html
- Idatabase_PDB_rev.mod_type.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _database_PDB_rev.mod_typeName:'_database_PDB_rev.mod_type' Definition: Taken from the REVDAT record. Refer to the Protein Data Bank format description at http://www.rcsb.org/pdb/docs/format/pdbguide2.2/guide2.2_frame.html for details. Type: int Mandatory item: no The data value must be one of ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Idatabase_PDB_rev.mod_type.html
- Iexptl.method.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _exptl.methodName:'_exptl.method' Definition: The method used in the experiment. Examples: 'single-crystal x-ray diffraction' 'single-crystal neutron diffraction' 'single-crystal electron diffraction' 'fiber x-ray diffraction' 'fiber neutron diffraction' 'fiber electron diffraction' 'single-crystal joint x-ray and neutron diffraction' 'single-crystal joint x ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Iexptl.method.html
- Cphasing_MAD_set.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 Category PHASING_MAD_SET Name: 'phasing_MAD_set' Description: Data items in the PHASING_MAD_SET category record details about the individual data sets used in a MAD phasing experiment. Example: Example 1 - based on a paper by Shapiro et al. [Nature (London) (1995), 374 ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Cphasing_MAD_set.html
- Irefine_ls_restr.type.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_ls_restr.typeName:'_refine_ls_restr.type' Definition: The type of the parameter being restrained. Explicit sets of data values are provided for the programs PROTIN/PROLSQ (beginning with p_) and RESTRAIN (beginning with RESTRAIN_). As computer programs change, these data values are given as ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_ls_restr.type.html
- Crefln_sys_abs.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 Category REFLN_SYS_ABS Name: 'refln_sys_abs' Description: Data items in the REFLN_SYS_ABS category record details about the reflection data that should be systematically absent, given the designated space group. Example: Example 1 - hypothetical example. loop_ _refln_sys_abs.index_h _refln_sys ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Crefln_sys_abs.html
- Irefine_analyze.RG_free_work_ratio.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_analyze.RG_free_work_ratioName:'_refine_analyze.RG_free_work_ratio' Definition: The observed ratio of RGfree to RGwork. The expected RG ratio is the value that should be achievable at the end of a structure refinement when only random uncorrelated errors exist in the data ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_analyze.RG_free_work_ratio.html
- Irefine_analyze.RG_work.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_analyze.RG_workName:'_refine_analyze.RG_work' Definition: The Hamilton generalized R factor for all reflections that satisfy the resolution limits established by _refine_analyze.RG_d_res_high and _refine_analyze.RG_d_res_low and for those reflections included in the working set when a free ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_analyze.RG_work.html
- Irefine_analyze.RG_free.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_analyze.RG_freeName:'_refine_analyze.RG_free' Definition: The Hamilton generalized R factor for all reflections that satisfy the resolution limits established by _refine_analyze.RG_d_res_high and _refine_analyze.RG_d_res_low for the free R set of reflections that were excluded from the ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_analyze.RG_free.html
- Irefine_analyze.RG_d_res_low.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_analyze.RG_d_res_lowName:'_refine_analyze.RG_d_res_low' Definition: The value of the low-resolution cutoff in angstroms used in the calculation of the Hamilton generalized R factor (RG) stored in _refine_analyze.RG_work and _refine_analyze.RG_free. Ref: Hamilton, W. C. (1965 ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_analyze.RG_d_res_low.html
- Irefine_analyze.RG_d_res_high.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine_analyze.RG_d_res_highName:'_refine_analyze.RG_d_res_high' Definition: The value of the high-resolution cutoff in angstroms used in the calculation of the Hamilton generalized R factor (RG) stored in _refine_analyze.RG_work and _refine_analyze.RG_free. Ref: Hamilton, W. C. (1965 ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine_analyze.RG_d_res_high.html
- Irefine.overall_FOM_work_R_set.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine.overall_FOM_work_R_setName:'_refine.overall_FOM_work_R_set' Definition: Average figure of merit of phases of reflections included in the refinement. This value is derived from the likelihood function FOM = I_1(X)/I_0(X) I_0, I_1 = zero- and first ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine.overall_FOM_work_R_set.html
- Irefine.overall_FOM_free_R_set.html
- Index Macromolecular dictionary (mmCIF) version 2.0.09 _refine.overall_FOM_free_R_setName:'_refine.overall_FOM_free_R_set' Definition: Average figure of merit of phases of reflections not included in the refinement. This value is derived from the likelihood function. FOM = I_1(X)/I_0(X) I_0, I_1 = zero- and ... ...
Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/2/cif_mm.dic/Irefine.overall_FOM_free_R_set.html
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