Chemical Information Files (CIFs) in the Chester Office

Since 1987 the Chester office has been developing software for routine centralized checking of numerical information contained in structural papers. Initially this involved the input of relevant data (cell parameters, atomic coordinates, etc.) and use of these data to check the derived geometric data and to prepare camera-ready tables for publication. As the number of programs run on the data increased there was a need for a standard input file from which data appropriate for each checking program could be conveniently extracted and suitably formatted. A standard Chemical Information File (CIF) was first proposed in 1988.

Since Jan. 1992 all papers submitted to Section C of Acta have had an associated CIF either provided electronically by the author or created in Chester. This CIF is used as input into the checking programs and to generate a suitably formatted "manuscript." Following acceptance, the CIF is used to generate proofs as camera-ready copy. Once the paper has been printed the CIF is archived in Chester and forwarded to external databases. In 1992 approximately 25% of Section C manuscripts were submitted electronically in CIF format. Processing of these manuscripts was expedited since there was no need for keyboarding in Chester.

The adoption of the CIF standard has the following advantages: (i) data are received (or input in Chester) in a standard format; (ii) information appears in the printed journal exactly as it has been checked (without rekeying by printers); (iii) camera-ready copy is produced in Chester at significant cost savings; (iv) an archival database is developed in Chester; and (v) checked data in CIF format is forwarded to external databases.

Future Developments: The rapidly growing database in Chester is intended to be accessible to crystallographers via an e-mail server or Internet. A "previewer" which will enable authors to obtain a good idea of what their CIF will look like when printed is being developed. The ninth edition of the World Directory of Crystallographers will be based on the CIF format and held as a centralized database in Chester. Full details appeared in the Jan. 1993 issue of Acta Cryst. A.