class |
Atom |
The CATEGORY of data items used to describe atomic information
used in crystallographic structure studies.
|
class |
AtomSite |
The CATEGORY of data items used to describe atom site information
used in crystallographic structure studies.
|
class |
AtomSiteAniso |
The CATEGORY of data items used to describe the anisotropic
thermal parameters of the atomic sites in a crystal structure.
|
class |
AtomSiteAnisotrop |
|
class |
AtomSites |
The CATEGORY of data items used to describe information which applies
to all atom sites in a crystal structure.
|
class |
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.
|
class |
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.
|
class |
AtomType |
The CATEGORY of data items used to describe atomic type information
used in crystallographic structure studies.
|
class |
AtomTypeScat |
The CATEGORY of data items used to describe atomic scattering
information used in crystallographic structure studies.
|
class |
Audit |
The CATEGORY of data items used to record details about the
creation and subsequent updating of the data block.
|
class |
AuditAuthor |
The CATEGORY of data items used for author(s) details.
|
class |
AuditConform |
The CATEGORY of data items used describe dictionary versions
by which data names in the current data block are conformant.
|
class |
AuditContactAuthor |
The CATEGORY of data items used for contact author(s) details.
|
class |
AuditLink |
The CATEGORY of data items used to record details about the
relationships between data blocks in the current CIF.
|
class |
Cell |
The CATEGORY of data items used to describe the parameters of
the crystal unit cell and their measurement.
|
class |
CellAngle |
|
class |
CellMeasurement |
The CATEGORY of data items used to describe the angles between
the axes in the crystal unit cell.
|
class |
CellMeasurementRefln |
The CATEGORY of data items used to describe the reflection data
used in the measurement of the crystal unit cell.
|
class |
ChemCompBond |
|
class |
Chemical |
The CATEGORY of data items which describe the composition and
chemical properties of the compound under study.
|
class |
ChemicalConnAtom |
The CATEGORY of data items which describe the 2D chemical structure of
the molecular species.
|
class |
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.
|
class |
ChemicalFormula |
The CATEGORY of data items which specify the composition and chemical
properties of the compound.
|
class |
CifCore |
The CIF_CORE group contains the definitions of data items that
are common to all domains of crystallographic studies.
|
class |
Citation |
Data items in the CITATION category record details about the
literature cited as being relevant to the contents of the data
block.
|
class |
CitationAuthor |
Category of items describing citation author(s) details.
|
class |
CitationEditor |
Category of items describing citation editor(s) details.
|
class |
Computing |
The CATEGORY of data items used to record details of the
computer programs used in the crystal structure analysis.
|
class |
Database |
The CATEGORY of data items recording database deposition.
|
class |
DatabaseCode |
The CATEGORY of data items recording database deposition.
|
class |
DatabaseRelated |
A category of items recording entries in databases that describe
the same or related data.
|
class |
Diffraction |
The DICTIONARY group encompassing the CORE DIFFRACTION data items defined
and used with in the Crystallographic Information Framework (CIF).
|
class |
Diffrn |
The CATEGORY of data items used to describe the diffraction experiment.
|
class |
DiffrnAttenuator |
The CATEGORY of data items which specify the attenuators used in the
diffraction source.
|
class |
DiffrnDetector |
The CATEGORY of data items which specify the detectors used in the
in the measurement of diffraction intensities.
|
class |
DiffrnMeasurement |
The CATEGORY of data items which specify the details of the
diffraction measurement.
|
class |
DiffrnOrient |
The CATEGORY of data items which specify the orientation of the crystal
axes to the diffractometer goniometer.
|
class |
DiffrnOrientMatrix |
The CATEGORY of data items which specify the matrix specifying the
orientation of the crystal axes to the diffractometer goniometer.
|
class |
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.
|
class |
DiffrnRadiation |
The CATEGORY of data items which specify the wavelength of the
radiation used in measuring diffraction intensities.
|
class |
DiffrnRadiationWavelength |
The CATEGORY of data items which specify the wavelength of the
radiation used in measuring diffraction intensities.
|
class |
DiffrnRefln |
The CATEGORY of data items which specify the reflection measurements,
prior to data reduction and merging.
|
class |
DiffrnReflns |
The CATEGORY of data items which specify the overall reflection
measurement information.
|
class |
DiffrnReflnsClass |
The CATEGORY of data items which specify different classes of
reflections in the raw measured diffraction data.
|
class |
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.
|
class |
DiffrnScaleGroup |
The CATEGORY of data items which specify the groups of reflections in
the raw measured diffraction data with different relative scales.
|
class |
DiffrnSource |
The CATEGORY of data items which specify information about the
radiation source.
|
class |
DiffrnStandard |
The CATEGORY of data items which specify information about the
standard reflections used in the diffraction measurement process.
|
class |
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.
|
class |
DiffrnStandards |
|
class |
Display |
The CATEGORY of data items used to enumerate the display
parameters used in the discipline.
|
class |
DisplayColour |
The CATEGORY of data items used to enumerate the display
colour codes used in the discipline.
|
class |
Exptl |
The CATEGORY of data items used to specify the experimental work
prior to diffraction measurements.
|
class |
ExptlAbsorpt |
The CATEGORY of data items used to specify the experimental details
of the absorption measurements and corrections to the diffraction
data.
|
class |
ExptlCrystal |
The CATEGORY of data items used to specify information about
crystals used in the diffraction measurements.
|
class |
ExptlCrystalAppearance |
The CATEGORY of ENUMERATION items used to specify information about the
crystal colour and appearance.
|
class |
ExptlCrystalFace |
The CATEGORY of data items which specify the dimensions of the
crystal used in the diffraction measurements.
|
class |
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).
|
class |
Geom |
The CATEGORY of data items used to specify the geometry
of the structural model as derived from the atomic sites.
|
class |
GeomAngle |
The CATEGORY of data items used to specify the geometry angles in the
structural model as derived from the atomic sites.
|
class |
GeomBond |
The CATEGORY of data items used to specify the geometry bonds in the
structural model as derived from the atomic sites.
|
class |
GeomContact |
The CATEGORY of data items used to specify the interatomic
contact distances in the structural model.
|
class |
GeomHbond |
The CATEGORY of data items used to specify the hydrogen bond
distances in the structural model as derived from atomic sites.
|
class |
GeomTorsion |
The CATEGORY of data items used to specify the torsion angles in the
structural model as derived from the atomic sites.
|
class |
Journal |
Category of items recording details about the book-keeping
by the journal staff when processing a CIF submitted for
publication.
|
class |
JournalCoeditor |
Category of items recording co-editor details.
|
class |
JournalDate |
Category of items recording dates of publication processing.
|
class |
JournalIndex |
Category of items describing publication indices.
|
class |
JournalTecheditor |
Category of items recording details of the technical editor
processing this publication.
|
class |
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.
|
class |
ModelSite |
The CATEGORY of data items used to describe atomic sites and
connections in the proposed atomic model.
|
class |
Publ |
Data items in the PUBL category are used when submitting a
manuscript for publication.
|
class |
PublAuthor |
Category of data items recording the author information.
|
class |
PublBody |
Data items in the PUBL_BODY category permit labelling of
different text sections within the body of a submitted paper.
|
class |
PublContactAuthor |
Category of items describing contact author(s) details.
|
class |
Publication |
The DICTIONARY group encompassing the CORE PUBLICATION data items defined
and used with in the Crystallographic Information Framework (CIF).
|
class |
PublManuscript |
Category of items describing the publication manuscript.
|
class |
PublManuscriptIncl |
|
class |
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.
|
class |
PublRequested |
CATEGORY of data items that enable the author to make
specific requests to the journal office for processing.
|
class |
PublSection |
Manuscript section data if submitted in parts.
|
class |
Refine |
The CATEGORY of data items used to specify information about the
refinement of the structural model.
|
class |
RefineDiff |
The CATEGORY of data items which specify the electron density limits
in a difference Fourier map after the structure has been refined.
|
class |
RefineLs |
The CATEGORY of data items used to specify information about the
refinement of the structural model.
|
class |
RefineLsClass |
The CATEGORY of data items used to specify information about the
refinement of the structural model.
|
class |
Refln |
The CATEGORY of data items used to describe the reflection data
used in the refinement of a crystallographic structure model.
|
class |
Reflns |
The CATEGORY of data items used to specify parameters for the complete
set of reflections used in the structure refinement process.
|
class |
ReflnsClass |
The CATEGORY of data items which specify the properties of reflections
in specific classes of reflections.
|
class |
ReflnsScale |
The CATEGORY of data items which specify the scales needed to place
measured structure factor coefficients on the same absolute scale.
|
class |
ReflnsShell |
The CATEGORY of data items which specify the information about
reflections divided into shells bounded by d resolution limits.
|
class |
SpaceGroup |
The CATEGORY of data items used to specify space group
information about the crystal used in the diffraction measurements.
|
class |
SpaceGroupGenerator |
The CATEGORY of data items used to list generators for
the space group
|
class |
SpaceGroupSymop |
The CATEGORY of data items used to describe symmetry equivalent sites
in the crystal unit cell.
|
class |
SpaceGroupWyckoff |
Contains information about Wyckoff positions of a space group.
|
class |
Structure |
The DICTIONARY group encompassing the CORE STRUCTURE data items defined
and used with in the Crystallographic Information Framework (CIF).
|
class |
Symmetry |
|
class |
SymmetryEquiv |
|
class |
Valence |
The CATEGORY of items used to specify bond valence parameters
used to calculate bond valences from bond lengths.
|
class |
ValenceParam |
The CATEGORY of items for listing bond valences.
|
class |
ValenceRef |
The CATEGORY of items for listing valence references.
|