Catalogue of metadata resources for crystallographic and related applications
| Resource | Category | Type* | Language | Schema | Topics |
|---|---|---|---|---|---|
| CIF core dictionary | IUCr standard | ontology; dictionary | CIF | DDL1 ftp://ftp.iucr.org/pub/ddl_core.dic | crystal structure; molecular structure; chemical structure; symmetry; crystal morphology; sample preparation; laboratory apparatus; experimental processed data; single-crystal diffraction; chemical composition; author, principal investigator, experimenter etc. |
| Commission on Aperiodic Crystals; Commission on Crystal Growth and Characterization of Materials; Commission on Crystallographic Computing; Ad Interim Commission on Crystallography of Materials; Commission on Electron Diffraction; Commission on High Pressure; Commission on Inorganic and Mineral Structures; Commission on Magnetic Structures; Commission on Mathematical and Theoretical Crystallography; Commission on Neutron Scattering; Commission on NMR Crystallography and Related Methods; Commission on Powder Diffraction; Commission on Structural Chemistry | |||||
| CIF electron density dictionary | IUCr standard | ontology; dictionary | CIF | DDL1 ftp://ftp.iucr.org/pub/ddl_core.dic | crystal structure; molecular structure; single-crystal diffraction; physical properties; charge density |
| Commission on Charge; Commission on Electron Diffraction; Commission on Structural Chemistry | |||||
| CIF image dictionary | IUCr standard | ontology; dictionary | CIF | DDL2 ftp://ftp.iucr.org/pub/cifdics/mmcif_ddl_2.1.6.dic | laboratory apparatus; experimental raw data |
| Commission on Biological Macromolecules; Commission on Crystallographic Computing; Commission on Powder Diffraction; Commission on Structural Chemistry | |||||
| CIF macromolecular dictionary | IUCr standard | ontology; dictionary | CIF | DDL2 ftp://ftp.iucr.org/pub/cifdics/mmcif_ddl_2.1.6.dic | crystal structure; molecular structure; biological macromolecule secondary structure; symmetry; experimental processed data; single-crystal diffraction; powder diffraction; author, principal investigator, experimenter etc.; publication citation details |
| Commission on Biological Macromolecules | |||||
| CIF magnetic dictionary | IUCr standard | ontology; dictionary | CIF | DDLm ftp://ftp.iucr.org/pub/cifdics/DDLm.dic | crystal structure; physical properties |
| Commission on Magnetic Structures; Commission on Mathematical and Theoretical Crystallography | |||||
| CIF modulated and composite structures dictionary | IUCr standard | ontology; dictionary | CIF | DDL1 ftp://ftp.iucr.org/pub/ddl_core.dic | crystal structure; molecular structure; chemical composition |
| Commission on Aperiodic Crystals; Commission on Structural Chemistry | |||||
| CIF powder dictionary | IUCr standard | ontology; dictionary | CIF | DDL1 ftp://ftp.iucr.org/pub/ddl_core.dic | crystal structure; molecular structure; chemical analysis; experimental processed data; powder diffraction; chemical composition |
| Commission on Crystallographic Computing; Commission on Neutron Scattering; Commission on Powder Diffraction; Commission on Structural Chemistry | |||||
| CIF restraints dictionary | IUCr standard | ontology; dictionary | CIF | DDL1 ftp://ftp.iucr.org/pub/ddl_core.dic | crystal structure; molecular structure; experimental technique |
| Commission on Crystallographic Computing; Commission on Structural Chemistry | |||||
| CIF symmetry dictionary | IUCr standard | ontology; dictionary | CIF | DDL2 ftp://ftp.iucr.org/pub/cifdics/mmcif_ddl_2.1.6.dic | crystal structure; symmetry |
| Commission on Aperiodic Crystals; Commission on Biological Macromolecules; Commission on Magnetic Structures; Commission on Mathematical and Theoretical Crystallography; Commission on Powder Diffraction; Commission on Structural Chemistry | |||||
| CIF topology dictionary | IUCr standard | ontology; dictionary | CIF | DDLm ftp://ftp.iucr.org/pub/cifdics/DDLm.dic | crystal structure; symmetry |
| CIF twinning dictionary | IUCr standard | ontology; dictionary | CIF | DDL1 ftp://ftp.iucr.org/pub/ddl_core.dic | crystal structure; single-crystal diffraction; powder diffraction |
| Commission on Crystal Growth and Characterization of Materials; Commission on Mathematical and Theoretical Crystallography; Commission on Structural Chemistry | |||||
| NXmx | NIAC standard | vocab | experimental raw data; single-crystal diffraction | ||
| Commission on Biological Macromolecules; Commission on Crystallographic Computing | |||||
| Online Dictionary of Crystallography | IUCr standard | lexicon | text | crystal structure; symmetry; crystal morphology; single-crystal diffraction; powder diffraction; physical properties | |
| Commission on Aperiodic Crystals; Commission on Biological Macromolecules; Commission on Charge, Spin and Momentum Density; Commission on Crystal Growth and Characterization of Materials; Commission on Crystallographic Computing; Commission on Crystallographic Nomenclature; Commission on Crystallographic Teaching; Commission on Crystallography in Art and Cultural Heritage; Ad Interim Commission on Crystallography of Materials; Commission on Electron Diffraction; Commission on High Pressure; Commission on Inorganic and Mineral Structures; Commission on International Tables; Commission on Journals; Commission on Magnetic Structures; Commission on Mathematical and Theoretical Crystallography; Commission on Neutron Scattering; Commission on NMR Crystallography and Related Methods; Commission on Powder Diffraction; Commission on Small-Angle Scattering; Commission on Structural Chemistry; Commission on Synchrotron and XFEL Radiation; Commission on XAFS | |||||
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* Definition of types
- ontology
- Machine-readable ontology (relationship between data items)
- dictionary
- Data dictionary containing definitions of the quantity or concept tagged by sepcific data names
- thesaurus
- Vocabulary of terms including synonyms and related terms
- vocab
- Controlled vocabulary: only terms from this are permitted
- keywords
- List of keywords (differs from controlled vocabulary in that additional terms may be inserted by user)
- lexicon
- Lexicographic dictionary of terminology
- other
- Other