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The following strings (in bold type) are identifiers for local CIF data names,
reserved for the purpose and by the person stated.
- B+S
- This prefix is for use in creating various tags used by the author in projects on CIF, mmCIF, imageCIF, etc. to avoid conflict with the standard dictionaries.
- BplusS
- Alternative to B+S for use with DDLm
- CCP4
- http://www.dl.ac.uk/CCP/CCP4/main.html
- H5
- HDF5 related tags for CIF support of HDF5 and NeXus
- ISO
- Tags used by the ISOTROPY Software Suite
- LANL
- For internal use of the XRD service at Los Alamos National Lab
- NIEHS
- general-use local prefix for NIEHS (National Institute of Environmental Health Sciences)
- NX
- Nexus-related tags for CIF HDF5/NeXus integration
- SSAD
- Prefix for Sulfur SAD Database CIFS
- TOPOS
- Prefix names for the data items generated by the ToposPro software
- acihd
- local names used by ACI Heidelberg
- aflow
- Tags for AFLOW high-throughput Density Functional Calculations
- amcsd
- Identifier for file created as an entry in the American MIneralogist Crystal Structure Database (http://rruff.geo.arizona.edu/AMS/amcsd.php)
- anbf
- Australian National Beamline Facility
- asd
- Active Site Database
- bruker
- Used by Bruker AXS software for items not covered in core and mmCif dictionaries
- ccdc
- Cambridge Crystallographic Data Centre
- cgraph
- Oxford Cryosystems Crystallographica package
- chimerax
- Prefix for UCSF ChimeraX
- cod
- Prefix used for data items added by COD maintainers and depositors.
- crystmol
- Used by CrystMol software for items not covered in core and mmCif dictionaries
- csd
- Cambridge Structural Database
- dft
- A prefix for data pertaining to density functional theory calculations, such as convergence criteria, precise method used etc.
- ebi
- macromolecular harvest deposition files
- edchem
- Our locally-invented cif names
- gsas
- GSAS powder refinement system
- gsk
- In house GlaxoSmithKline data entries
- iims
- Integration of Information about Macromolecular Structure. Integration of the results of 3D Electron Microscopy with existing data models from X-ray and NMR methods.
- itqb
- Local names of Instituto de Tecnologia Quimica e Biologica da Universidade Nova de Lisboa, Oeiras, Portugal, especially for molecular modelling extensions
- iucr
- IUCr journal use
- manchester
- For internal use of the XRD service at The University of Manchester
- mdb
- Model Database, database of model structures of biological molecules
- montpellier
- Prefix for University of Montpellier internal CIF items
- mp
- Information specific to the Materials Project (MP) database and its related software tools. See materialsproject.org and github.com/materialsproject for more information.
- mpod
- prefix used in the MPOD database: www.materialproperties.org
- msd
- data items for the European Bioinformatics Institute Molecular Structure Database Group
- naned
- Prefix for CIF entries created within the project NanED for 3DED data. Proposals for expanding CIF dictionary to fully accomodate 3DED data.
- ndb
- Nucleic Acids Database Project, Rutgers University
- nomad
- Data names defined by the NOMAD Center of Excellence for theoretical material science calculations and structures.
- nottingham
- Prefix for University of Nottingham internal CIF items
- oxford
- Used in conjunction with the Oxford CRYSTALS program
- parvati
- validation and statistical summaries from PARVATI validation server http://www.bmsc.washington.edu/parvati
- pdb2cif
- Dictionary of additions to mmCIF used by the program pdb2cif by P. E. Bourne, F. C. Bernstein and H. J. Bernstein
- pdb
- Protein Data Bank
- pdbx
- Protein Data Bank - exchange dictionary prefix
- phenix
- PHENIX is a software suite for the automated determination of macromolecular structures using X-ray crystallography and other methods.
- prop
- prefix for properties as used in the MPOD database: www.materialproperties.org
- publcif
- Local items used by the publCIF editor
- raman
- Data items for recording spectra obtained by Raman spectroscopy technique.
- rayonix
- Information specific to Rayonix (Mar USA) instruments
- rcsb
- Research Collaboratory for Structural Bioinformatics
- rotag
- Prefix used for the data items generated by rotag software.
- shelx
- SHELXL solution and refinement programs
- solsa
- SOLSA H2020 project Sonic Drilling coupled with Automated Mineralogy and chemistry On-Line-On-Mine-Real-Time)
- sydney
- Prefix for University of Sydney internal CIF items
- tcod
- Data names specific to the Theoretical Crystallography Open Database, http://www.crystallography.net/tcod
- vrf
- Validation Reply Form (IUCr/Acta C use)
- wdc
- Entries in the World Directory of Crystallographers
- xtal
- Xtal program system
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International Tables for Crystallography
Volume G: Definition and exchange of crystallographic data
Edited by S. R. Hall and B. McMahon
![[International Tables Vol. G]](https://www.iucr.org/__data/assets/image/0014/11156/g.gif) |
contents | |
| indexes | ||
| sample pages | ||
| purchase | ||
| CIF dictionaries |
An essential guide and reference to CIF for programmers, data managers handling crystal-structure information and practising crystallographers.
