THE DARESBURY LABORATORY LAUE SOFTWARE SUITE. S. Arzt, J.W. Campbell, Q. Hao, D. Nguti, CCLRC Daresbury Laboratory, Daresbury, Washington, WA4 4AD, Cheshire, U.K.; M.M. Harding, University of Liverpool, U.K.; J.R. Helliwell, G. Bradbrook, J. Habash, Y.P. Nieh & E.H. Snell, University of Manchester, U.K.

High quality Laue intensity data can be obtained using synchrotron radiation. The Daresbury Laboratory Laue Software Suite has been developed and 'calibrated' with a series of studies (pea lectin, carbonic anhydrase, concanavalin A, lysozyme, as well as smaller inorganic and organic structure). It is available for distribution from Daresbury (contact Dr. J.W. Campbell) and has been successfully worldwide (e.g. p21 catalysis, Heidelberg; trypsin, NSLS; isocitrate dehydrogenase, Seattle; ESRF Grenoble etc.; see also poster abstract of Carr et al.). The package consists of a series of programs written primarily in FORTRAN, but also using libraries written in 'C' and runs on UNIX and VMS based computer systems. The LAUEGEN program uses an X-windows based toolkit (XDL_VIEW) also developed at the Daresbury Laboratory. The aim is to exploit the interactive and display facilities available using X-windows but at the same time to provide more automatic procedures for data processing where these are appropriate. A Laue Data Module defines a set of standard parameters describing the crystal, the X-ray detector and the scanned images. It also provides a set of program independent functions for handling these parameters. Other recent developments allow the automatic estimation of sizes and the soft limits [[lambda]]_min and d_min. A particular recent emphasis has been to provide new algorithms for deconvolution of the small fraction of multiples; these are important to give fuller coverage at low resolution. A method based on the [[lambda]]-curve has been implemented and tested with lysozyme (see Campbell et al. (1994), Bull. Mater.Sci. 17, 1-18) and explored in relation to angular sampling collection strategies (see Bradbrook et al. (1995) SPIE 2521, 160-177 for the Röntgen Centennial Celebration).