What is this document?
CIF
STAR File
DDL
CBF
CIF Dictionaries
Intellectual Property Rights

What is this document?

This is the CIF FAQ. CIF stands for "Crystallographic Information File" and FAQ stands for "Frequently Asked Questions", so this is a place where you will find questions about the Crystallographic Information File that we have been asked (or think we should have been asked), along with what we hope are helpful answers.

CIF

  • What is the Crystallographic Information File?

    The Crystallographic Information File (CIF) is the standard file format for the exchange of crystallographic information published by the International Union of Crystallography (IUCr) in 1991.

    A CIF is an ASCII file conforming to the STAR File syntax with some additional restrictions. It contains tags identifying many quantities or elements of information, and the associated values. The meanings of the tags are specified in standard library files known as CIF dictionaries, although files may also contain pieces of information defined implicitly or in non-standard dictionaries.

    The specification of the CIF standard can be found on the web pages at http://www.iucr.org/iucr-top/cif.

  • What are coreCIF, pdCIF, msCIF, mmCIF, imgCIF...?

    Several standard dictionaries of data names are maintained for use in different branches of crystallography or related structural sciences. The various dictionaries and the project teams responsible for their specification and maintenance are identified by acronyms such as

    coreCIF
    Data names relating to the core of crystallography and to single-crystal small-molecule or ionic structural studies.
    pdCIF
    Data names used in powder diffraction.
    msCIF
    Data names used in the description of modulated aperiodic structures.
    mmCIF
    The dictionary used in macromolecular crystallography. It includes the data items defined in the core dictionary, but with a slightly different formalism.
    imgCIF
    A dictionary of terms used in the representation of images and higher-dimensional data sets.

    Information on these and other specialised dictionaries may be found on the CIF home page.

    Reference:
    Hall, S. R., Allen, F. H. and Brown, I. D. (1991). Acta Cryst. A47, 655-685.

  • Why use CIF? What is wrong with SHELX/PDB/RasMol format, XML/SGML, ASN.1, JPEG/TIFF/PNG, Word/TeX/WordPerfect?

    Nothing is necessarily "wrong" with any of these file formats listed; but typically they serve the purpose of a specific program; in some cases are undocumented or not stable over time; and are unstructured. CIF, however, is specifically designed for data exchange between software packages of many different types. It is publicly documented and intended to be very stable; and it also describes in detail the data model appropriate for the data it conveys.

    But most importantly, it provides a framework for all data of crystallographic interest: raw intensity sets, reduced data sets, images, graphical representations, tables of derived data, experimental logs, or literature submissions. It has a very rich vocabulary of recognised data names drawn up by experts in crystallography. While it may be useful to transform some or all of the contents of a CIF to some or all of the above formats, the CIF remains the single most comprehensive repository of information suitable for archiving or data interchange.

STAR File

DDL

CBF

  • What is CBF?

    CBF is the Crystallographic Binary File. It is an outgrowth from the imgCIF project to describe area-detector and image-plate images in CIF terms. While the imgCIF dictionary allows a fully compliant CIF archive file to be created of an image, it was felt that the ASCII representation of huge data sets was unnecessarily verbose, and a packed binary representation was designed to be of more use in everyday working. The information content of a CBF is identical to that of its associated imgCIF ASCII representation: only the internal data storage (and file size) differ.

  • ?

Intellectual Property Rights

  • Will the IUCr Police come after me if I violate the IUCr Policy on CIF?

    No. There are no IUCr Police.

  • What will the IUCr do if I violate the IUCr Policy on CIF?

    The IUCr will vigorously protect CIF and STAR as standards for our community. In most cases, we will try to talk to you and get you back on the right track, but, if we must resort to legal action to protect the interests of the community, we will do what we must.

  • What does it mean to "protect CIF and STAR as standards"

    We want you and your colleagues to be able to be confident that when you receive a file and it is represented to you as being a CIF or a STAR file, that it is, indeed a CIF or a STAR file. So, if somebody starts distributing files which are called CIF or STAR, but which don't comply with the rules for making CIF or STAR files, and we know about it, we will ask them to stop doing that.

    We want you and your colleagues to be able to be confident that when you work with software that claims it reads or writes CIF or STAR files, that indeed it does do that. So if somebody produces what they claim to be a CIF or STAR application, we want to be able to take a look at the program and documentation and assure ourselves that it is. If the program is in the public domain, we can do that. If somebody wants to do something more restrictive, things can be worked out, but we have to be able to assure ourselves and you that what claims to be a CIF or STAR application is, indeed working with CIF or STAR.

    We will not permit any other organization to "capture" STAR or CIF and try to ransom it back to the community.

    There is more that we can and will do, but these are the most important parts.

  • What specifically about CIF and STAR will the IUCr protect?

    We will protect CIF and STAR as trademarks and service marks of the IUCr. We will protect the IUCr STAR patent. We will protect the copyright on the various "public" CIF dictionaries and on the DDL's. We will protect CIF and STAR as effective standards for the community.

  • Will the IUCr collect license fees or royalties on CIF or STAR?

    Hypothetically speaking, we suppose it is possible that in some arrangement for some commerical product involving CIF or STAR, there might be grounds for the IUCr to collect a license fee or royalty for something, so we don't want to totally rule out the possibility, but, in most cases all we are trying to do is to get CIF and STAR to be widely and freely used so that it is easier for our community to exchange data reliably. Certainly, if you are putting out your CIF or STAR compliant application to the world for free, we are not going to ask you to start charging money for it so that you can pay the IUCr a license fee.