Entered: Mon Nov 22 2010

Operating systems: MS Windows

Type: Binary


Distribution: Free

Application fields: Databases; Structure

Bibliography: Dolomanov, O. V., Blake, A. J., Champness, N. R. & Schroder, M. (2003). J. Appl. Cryst. 36, 955

Description: An efficient search engine for laboratory unit cells. The identification of previously encountered unit cells can save considerable amounts of diffractometer time by preventing the inadvertent and unwanted recollection of data sets on known compounds or phases. While published unit cells are searchable via the Cambridge Structural Database (Allen & Kennard, 1993 [PKWARE (1993). PKZIP archiver version 2.04. PKWARE Inc., Brown Deer, Wisconsin, USA.]) or the Inorganic Crystal Structure Database (Belsky et al., 2002 [Belsky, A., Hellenbrandt, M., Karen, V. L. & Luksch P. (2002). Acta Cryst. B58, 364-369.]), large numbers of unpublished local cells can pose a problem. The ability to create, update and search a database of such cells can therefore increase efficiency in the structure determination laboratory.



Last updated: 09 May 2011