| Atom |
The CATEGORY of data items used to describe atomic information
used in crystallographic structure studies.
|
| AtomSite |
The CATEGORY of data items used to describe atom site information
used in crystallographic structure studies.
|
| AtomSiteAniso |
The CATEGORY of data items used to describe the anisotropic
thermal parameters of the atomic sites in a crystal structure.
|
| AtomSiteAnisotrop |
|
| AtomSites |
The CATEGORY of data items used to describe information which applies
to all atom sites in a crystal structure.
|
| AtomSitesCartnTransform |
The CATEGORY of data items used to describe the matrix elements
used to transform Cartesion coordinates into fractional coordinates
of all atom sites in a crystal structure.
|
| AtomSitesFractTransform |
The CATEGORY of data items used to describe the matrix elements
used to transform Cartesion coordinates into fractional coordinates
of all atom sites in a crystal structure.
|
| AtomType |
The CATEGORY of data items used to describe atomic type information
used in crystallographic structure studies.
|
| AtomTypeScat |
The CATEGORY of data items used to describe atomic scattering
information used in crystallographic structure studies.
|
| Audit |
The CATEGORY of data items used to record details about the
creation and subsequent updating of the data block.
|
| AuditAuthor |
The CATEGORY of data items used for author(s) details.
|
| AuditConform |
The CATEGORY of data items used describe dictionary versions
by which data names in the current data block are conformant.
|
| AuditContactAuthor |
The CATEGORY of data items used for contact author(s) details.
|
| AuditLink |
The CATEGORY of data items used to record details about the
relationships between data blocks in the current CIF.
|
| Cell |
The CATEGORY of data items used to describe the parameters of
the crystal unit cell and their measurement.
|
| CellAngle |
|
| CellMeasurement |
The CATEGORY of data items used to describe the angles between
the axes in the crystal unit cell.
|
| CellMeasurementRefln |
The CATEGORY of data items used to describe the reflection data
used in the measurement of the crystal unit cell.
|
| ChemCompBond |
|
| Chemical |
The CATEGORY of data items which describe the composition and
chemical properties of the compound under study.
|
| ChemicalConnAtom |
The CATEGORY of data items which describe the 2D chemical structure of
the molecular species.
|
| ChemicalConnBond |
The CATEGORY of data items which specify the connections between
the atoms sites in the chemical_conn_atom list and the nature
of the chemical bond between these atoms.
|
| ChemicalFormula |
The CATEGORY of data items which specify the composition and chemical
properties of the compound.
|
| CifCore |
The CIF_CORE group contains the definitions of data items that
are common to all domains of crystallographic studies.
|
| CifCoreBlock |
|
| CifCoreBlockBuilder |
|
| CifCoreCategoryBuilder |
|
| CifCoreCategoryBuilder.AtomBuilder |
|
| CifCoreCategoryBuilder.AtomSiteAnisoBuilder |
|
| CifCoreCategoryBuilder.AtomSiteAnisotropBuilder |
|
| CifCoreCategoryBuilder.AtomSiteBuilder |
|
| CifCoreCategoryBuilder.AtomSitesBuilder |
|
| CifCoreCategoryBuilder.AtomSitesCartnTransformBuilder |
|
| CifCoreCategoryBuilder.AtomSitesFractTransformBuilder |
|
| CifCoreCategoryBuilder.AtomTypeBuilder |
|
| CifCoreCategoryBuilder.AtomTypeScatBuilder |
|
| CifCoreCategoryBuilder.AuditAuthorBuilder |
|
| CifCoreCategoryBuilder.AuditBuilder |
|
| CifCoreCategoryBuilder.AuditConformBuilder |
|
| CifCoreCategoryBuilder.AuditContactAuthorBuilder |
|
| CifCoreCategoryBuilder.AuditLinkBuilder |
|
| CifCoreCategoryBuilder.CellAngleBuilder |
|
| CifCoreCategoryBuilder.CellBuilder |
|
| CifCoreCategoryBuilder.CellMeasurementBuilder |
|
| CifCoreCategoryBuilder.CellMeasurementReflnBuilder |
|
| CifCoreCategoryBuilder.ChemCompBondBuilder |
|
| CifCoreCategoryBuilder.ChemicalBuilder |
|
| CifCoreCategoryBuilder.ChemicalConnAtomBuilder |
|
| CifCoreCategoryBuilder.ChemicalConnBondBuilder |
|
| CifCoreCategoryBuilder.ChemicalFormulaBuilder |
|
| CifCoreCategoryBuilder.CifCoreBuilder |
|
| CifCoreCategoryBuilder.CitationAuthorBuilder |
|
| CifCoreCategoryBuilder.CitationBuilder |
|
| CifCoreCategoryBuilder.CitationEditorBuilder |
|
| CifCoreCategoryBuilder.ComputingBuilder |
|
| CifCoreCategoryBuilder.DatabaseBuilder |
|
| CifCoreCategoryBuilder.DatabaseCodeBuilder |
|
| CifCoreCategoryBuilder.DatabaseRelatedBuilder |
|
| CifCoreCategoryBuilder.DiffractionBuilder |
|
| CifCoreCategoryBuilder.DiffrnAttenuatorBuilder |
|
| CifCoreCategoryBuilder.DiffrnBuilder |
|
| CifCoreCategoryBuilder.DiffrnDetectorBuilder |
|
| CifCoreCategoryBuilder.DiffrnMeasurementBuilder |
|
| CifCoreCategoryBuilder.DiffrnOrientBuilder |
|
| CifCoreCategoryBuilder.DiffrnOrientMatrixBuilder |
|
| CifCoreCategoryBuilder.DiffrnOrientReflnBuilder |
|
| CifCoreCategoryBuilder.DiffrnRadiationBuilder |
|
| CifCoreCategoryBuilder.DiffrnRadiationWavelengthBuilder |
|
| CifCoreCategoryBuilder.DiffrnReflnBuilder |
|
| CifCoreCategoryBuilder.DiffrnReflnsBuilder |
|
| CifCoreCategoryBuilder.DiffrnReflnsClassBuilder |
|
| CifCoreCategoryBuilder.DiffrnReflnsTransfMatrixBuilder |
|
| CifCoreCategoryBuilder.DiffrnScaleGroupBuilder |
|
| CifCoreCategoryBuilder.DiffrnSourceBuilder |
|
| CifCoreCategoryBuilder.DiffrnStandardBuilder |
|
| CifCoreCategoryBuilder.DiffrnStandardReflnBuilder |
|
| CifCoreCategoryBuilder.DiffrnStandardsBuilder |
|
| CifCoreCategoryBuilder.DisplayBuilder |
|
| CifCoreCategoryBuilder.DisplayColourBuilder |
|
| CifCoreCategoryBuilder.ExptlAbsorptBuilder |
|
| CifCoreCategoryBuilder.ExptlBuilder |
|
| CifCoreCategoryBuilder.ExptlCrystalAppearanceBuilder |
|
| CifCoreCategoryBuilder.ExptlCrystalBuilder |
|
| CifCoreCategoryBuilder.ExptlCrystalFaceBuilder |
|
| CifCoreCategoryBuilder.FunctionBuilder |
|
| CifCoreCategoryBuilder.GeomAngleBuilder |
|
| CifCoreCategoryBuilder.GeomBondBuilder |
|
| CifCoreCategoryBuilder.GeomBuilder |
|
| CifCoreCategoryBuilder.GeomContactBuilder |
|
| CifCoreCategoryBuilder.GeomHbondBuilder |
|
| CifCoreCategoryBuilder.GeomTorsionBuilder |
|
| CifCoreCategoryBuilder.JournalBuilder |
|
| CifCoreCategoryBuilder.JournalCoeditorBuilder |
|
| CifCoreCategoryBuilder.JournalDateBuilder |
|
| CifCoreCategoryBuilder.JournalIndexBuilder |
|
| CifCoreCategoryBuilder.JournalTecheditorBuilder |
|
| CifCoreCategoryBuilder.ModelBuilder |
|
| CifCoreCategoryBuilder.ModelSiteBuilder |
|
| CifCoreCategoryBuilder.PublAuthorBuilder |
|
| CifCoreCategoryBuilder.PublBodyBuilder |
|
| CifCoreCategoryBuilder.PublBuilder |
|
| CifCoreCategoryBuilder.PublContactAuthorBuilder |
|
| CifCoreCategoryBuilder.PublicationBuilder |
|
| CifCoreCategoryBuilder.PublManuscriptBuilder |
|
| CifCoreCategoryBuilder.PublManuscriptInclBuilder |
|
| CifCoreCategoryBuilder.PublManuscriptInclExtraBuilder |
|
| CifCoreCategoryBuilder.PublRequestedBuilder |
|
| CifCoreCategoryBuilder.PublSectionBuilder |
|
| CifCoreCategoryBuilder.RefineBuilder |
|
| CifCoreCategoryBuilder.RefineDiffBuilder |
|
| CifCoreCategoryBuilder.RefineLsBuilder |
|
| CifCoreCategoryBuilder.RefineLsClassBuilder |
|
| CifCoreCategoryBuilder.ReflnBuilder |
|
| CifCoreCategoryBuilder.ReflnsBuilder |
|
| CifCoreCategoryBuilder.ReflnsClassBuilder |
|
| CifCoreCategoryBuilder.ReflnsScaleBuilder |
|
| CifCoreCategoryBuilder.ReflnsShellBuilder |
|
| CifCoreCategoryBuilder.SpaceGroupBuilder |
|
| CifCoreCategoryBuilder.SpaceGroupGeneratorBuilder |
|
| CifCoreCategoryBuilder.SpaceGroupSymopBuilder |
|
| CifCoreCategoryBuilder.SpaceGroupWyckoffBuilder |
|
| CifCoreCategoryBuilder.StructureBuilder |
|
| CifCoreCategoryBuilder.SymmetryBuilder |
|
| CifCoreCategoryBuilder.SymmetryEquivBuilder |
|
| CifCoreCategoryBuilder.ValenceBuilder |
|
| CifCoreCategoryBuilder.ValenceParamBuilder |
|
| CifCoreCategoryBuilder.ValenceRefBuilder |
|
| CifCoreFile |
|
| CifCoreFileBuilder |
|
| Citation |
Data items in the CITATION category record details about the
literature cited as being relevant to the contents of the data
block.
|
| CitationAuthor |
Category of items describing citation author(s) details.
|
| CitationEditor |
Category of items describing citation editor(s) details.
|
| Computing |
The CATEGORY of data items used to record details of the
computer programs used in the crystal structure analysis.
|
| Database |
The CATEGORY of data items recording database deposition.
|
| DatabaseCode |
The CATEGORY of data items recording database deposition.
|
| DatabaseRelated |
A category of items recording entries in databases that describe
the same or related data.
|
| Diffraction |
The DICTIONARY group encompassing the CORE DIFFRACTION data items defined
and used with in the Crystallographic Information Framework (CIF).
|
| Diffrn |
The CATEGORY of data items used to describe the diffraction experiment.
|
| DiffrnAttenuator |
The CATEGORY of data items which specify the attenuators used in the
diffraction source.
|
| DiffrnDetector |
The CATEGORY of data items which specify the detectors used in the
in the measurement of diffraction intensities.
|
| DiffrnMeasurement |
The CATEGORY of data items which specify the details of the
diffraction measurement.
|
| DiffrnOrient |
The CATEGORY of data items which specify the orientation of the crystal
axes to the diffractometer goniometer.
|
| DiffrnOrientMatrix |
The CATEGORY of data items which specify the matrix specifying the
orientation of the crystal axes to the diffractometer goniometer.
|
| DiffrnOrientRefln |
The CATEGORY of data items which specify the reflections used to
calculate the matrix which gives the orientation of the crystal
axes to the diffractometer goniometer.
|
| DiffrnRadiation |
The CATEGORY of data items which specify the wavelength of the
radiation used in measuring diffraction intensities.
|
| DiffrnRadiationWavelength |
The CATEGORY of data items which specify the wavelength of the
radiation used in measuring diffraction intensities.
|
| DiffrnRefln |
The CATEGORY of data items which specify the reflection measurements,
prior to data reduction and merging.
|
| DiffrnReflns |
The CATEGORY of data items which specify the overall reflection
measurement information.
|
| DiffrnReflnsClass |
The CATEGORY of data items which specify different classes of
reflections in the raw measured diffraction data.
|
| DiffrnReflnsTransfMatrix |
The CATEGORY of data items which specify the elements of the matrix
used to transform the reflection indices _diffrn_refln.hkl
into _refln.hkl.
|
| DiffrnScaleGroup |
The CATEGORY of data items which specify the groups of reflections in
the raw measured diffraction data with different relative scales.
|
| DiffrnSource |
The CATEGORY of data items which specify information about the
radiation source.
|
| DiffrnStandard |
The CATEGORY of data items which specify information about the
standard reflections used in the diffraction measurement process.
|
| DiffrnStandardRefln |
The CATEGORY of data items which specify the "standard" reflections
measured repeatedly to monitor variations in intensity due to source
flux, environment conditions or crystal quality.
|
| DiffrnStandards |
|
| Display |
The CATEGORY of data items used to enumerate the display
parameters used in the discipline.
|
| DisplayColour |
The CATEGORY of data items used to enumerate the display
colour codes used in the discipline.
|
| Exptl |
The CATEGORY of data items used to specify the experimental work
prior to diffraction measurements.
|
| ExptlAbsorpt |
The CATEGORY of data items used to specify the experimental details
of the absorption measurements and corrections to the diffraction
data.
|
| ExptlCrystal |
The CATEGORY of data items used to specify information about
crystals used in the diffraction measurements.
|
| ExptlCrystalAppearance |
The CATEGORY of ENUMERATION items used to specify information about the
crystal colour and appearance.
|
| ExptlCrystalFace |
The CATEGORY of data items which specify the dimensions of the
crystal used in the diffraction measurements.
|
| Function |
The crystallographic functions the invoked in the definition
methods of CORE STRUCTURE data items defined and used with in
the Crystallographic Information Framework (CIF).
|
| Geom |
The CATEGORY of data items used to specify the geometry
of the structural model as derived from the atomic sites.
|
| GeomAngle |
The CATEGORY of data items used to specify the geometry angles in the
structural model as derived from the atomic sites.
|
| GeomBond |
The CATEGORY of data items used to specify the geometry bonds in the
structural model as derived from the atomic sites.
|
| GeomContact |
The CATEGORY of data items used to specify the interatomic
contact distances in the structural model.
|
| GeomHbond |
The CATEGORY of data items used to specify the hydrogen bond
distances in the structural model as derived from atomic sites.
|
| GeomTorsion |
The CATEGORY of data items used to specify the torsion angles in the
structural model as derived from the atomic sites.
|
| Journal |
Category of items recording details about the book-keeping
by the journal staff when processing a CIF submitted for
publication.
|
| JournalCoeditor |
Category of items recording co-editor details.
|
| JournalDate |
Category of items recording dates of publication processing.
|
| JournalIndex |
Category of items describing publication indices.
|
| JournalTecheditor |
Category of items recording details of the technical editor
processing this publication.
|
| Model |
Items in the MODEL Category specify data for the crystal structure
postulated and modelled from the atomic coordinates derived and
refined from the diffraction information.
|
| ModelSite |
The CATEGORY of data items used to describe atomic sites and
connections in the proposed atomic model.
|
| Publ |
Data items in the PUBL category are used when submitting a
manuscript for publication.
|
| PublAuthor |
Category of data items recording the author information.
|
| PublBody |
Data items in the PUBL_BODY category permit labelling of
different text sections within the body of a submitted paper.
|
| PublContactAuthor |
Category of items describing contact author(s) details.
|
| Publication |
The DICTIONARY group encompassing the CORE PUBLICATION data items defined
and used with in the Crystallographic Information Framework (CIF).
|
| PublManuscript |
Category of items describing the publication manuscript.
|
| PublManuscriptIncl |
|
| PublManuscriptInclExtra |
Category of data items that allow the authors of a manuscript to
submit for publication data names that should be added to the
standard request list employed by journal printing software.
|
| PublRequested |
CATEGORY of data items that enable the author to make
specific requests to the journal office for processing.
|
| PublSection |
Manuscript section data if submitted in parts.
|
| Refine |
The CATEGORY of data items used to specify information about the
refinement of the structural model.
|
| RefineDiff |
The CATEGORY of data items which specify the electron density limits
in a difference Fourier map after the structure has been refined.
|
| RefineLs |
The CATEGORY of data items used to specify information about the
refinement of the structural model.
|
| RefineLsClass |
The CATEGORY of data items used to specify information about the
refinement of the structural model.
|
| Refln |
The CATEGORY of data items used to describe the reflection data
used in the refinement of a crystallographic structure model.
|
| Reflns |
The CATEGORY of data items used to specify parameters for the complete
set of reflections used in the structure refinement process.
|
| ReflnsClass |
The CATEGORY of data items which specify the properties of reflections
in specific classes of reflections.
|
| ReflnsScale |
The CATEGORY of data items which specify the scales needed to place
measured structure factor coefficients on the same absolute scale.
|
| ReflnsShell |
The CATEGORY of data items which specify the information about
reflections divided into shells bounded by d resolution limits.
|
| SpaceGroup |
The CATEGORY of data items used to specify space group
information about the crystal used in the diffraction measurements.
|
| SpaceGroupGenerator |
The CATEGORY of data items used to list generators for
the space group
|
| SpaceGroupSymop |
The CATEGORY of data items used to describe symmetry equivalent sites
in the crystal unit cell.
|
| SpaceGroupWyckoff |
Contains information about Wyckoff positions of a space group.
|
| Structure |
The DICTIONARY group encompassing the CORE STRUCTURE data items defined
and used with in the Crystallographic Information Framework (CIF).
|
| Symmetry |
|
| SymmetryEquiv |
|
| Valence |
The CATEGORY of items used to specify bond valence parameters
used to calculate bond valences from bond lengths.
|
| ValenceParam |
The CATEGORY of items for listing bond valences.
|
| ValenceRef |
The CATEGORY of items for listing valence references.
|