• PART 1: HISTORICAL INTRODUCTION
  • 1.1. Genesis of the Crystallographic Information File (S. R. Hall and B. McMahon)

• PART 2: CONCEPTS AND SPECIFICATIONS
  • 2.1. Specification of the STAR File (S. R. Hall and N. Spadaccini)
  • 2.2. Specification of the Crystallographic Information File (CIF) (S. R. Hall and J. D. Westbrook; Appendix 2.2.7 by S. R. Hall, N. Spadaccini, I. D. Brown, H. J. Bernstein, J. D. Westbrook and B. McMahon)
  • 2.3. Specification of the Crystallographic Binary File (CBF/imgCIF) (H. J. Bernstein and A. P. Hammersley)
  • 2.4. Specification of the Molecular Information File (MIF) (F. H. Allen, J. M. Barnard, A. P. F. Cook and S. R. Hall)
  • 2.5. Specification of the core CIF dictionary definition language (DDL1) (S. R. Hall and A. P. F. Cook)
  • 2.6. Specification of a relational dictionary definition language (DDL2) (J. D. Westbrook, H. M. Berman and S. R. Hall)

• PART 3: CIF DATA DEFINITION AND CLASSIFICATION
  • 3.1. General considerations when defining a CIF data item (B. McMahon)
  • 3.2. Classification and use of core data (S. R. Hall, P. M. D. Fitzgerald and B. McMahon)
  • 3.3. Classification and use of powder diffraction data (B. H. Toby)
  • 3.4. Classification and use of modulated and composite structures data (G. Madariaga)
  • 3.5. Classification and use of electron density data (P. R. Mallinson and I. D. Brown)
  • 3.6. Classification and use of macromolecular data (P. M. D. Fitzgerald, J. D. Westbrook, P. E. Bourne, B. McMahon, K. D. Watenpaugh and H. M. Berman; Appendix 3.6.2 by J. D. Westbrook, K. Henrick, E. L. Ulrich and H. M. Berman)
  • 3.7. Classification and use of image data (H. J. Bernstein)
  • 3.8. Classification and use of symmetry data (I. D. Brown)

• PART 4: DATA DICTIONARIES
  • 4.1. Core dictionary (coreCIF) (S. R. Hall, F. H. Allen and I. D. Brown)
  • 4.2. Powder dictionary (pdCIF) (B. H. Toby)
  • 4.3. Modulated and composite structures dictionary (msCIF) (G. Madariaga)
  • 4.4. Electron density dictionary (rhoCIF) (P. R. Mallinson)
  • 4.5. Macromolecular dictionary (mmCIF) (P. M. D. Fitzgerald, J. D. Westbrook, P. E. Bourne, B. McMahon, K. D. Watenpaugh and H. M. Berman)
  • 4.6. Image dictionary (imgCIF) (A. P. Hammersley, H. J. Bernstein and J. D. Westbrook)
  • 4.7. Symmetry dictionary (symCIF) (I. D. Brown)
  • 4.8. Molecular Information File dictionary (MIF) (F. H. Allen, J. M. Barnard, A. P. F. Cook and S. R. Hall)
  • 4.9. DDL1 dictionary (S. R. Hall)
  • 4.10. DDL2 dictionary (J. D. Westbrook and S. R. Hall)

• PART 5: APPLICATIONS
  • 5.1. General considerations in programming CIF applications (H. J. Bernstein)
  • 5.2. STAR File utilities (N. Spadaccini, S. R. Hall and B. McMahon)
  • 5.3. Syntactic utilities for CIF (B. McMahon)
  • 5.4. CIFtbx: Fortran tools for manipulating CIFs (H. J. Bernstein and S. R. Hall)
  • 5.5. The use of mmCIF architecture for PDB data management (J. D. Westbrook, H. Yang, Z. Feng and H. M. Berman)
  • 5.6. CBFlib: an ANSI C library for manipulating image data (P. J. Ellis and H. J. Bernstein)
  • 5.7. Small-molecule crystal structure publication using CIF (P. R. Strickland, M. A. Hoyland and B. McMahon)

• Subject index

• Index of categories and data names

• CD-ROM of electronic resources

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