Recent developments:
A new program, LSCALE, has been added to the suite. The is a program for the scaling and normalisation of raw integrated Laue intensity data to yield fully corrected structure amplitudes. The wavelength normalisation curve is normally derived internally from the Laue data using symmetry equivalent data recorded at different wavelengths. As an alternative, where appropriate, the normalisation curve may be determined by scaling the Laue data to a reference set of data. The program also enables a wavelength and position dependent absorption correction to be calculated. Harmonic multiples data may be deconvoluted again making use of symmetry equivalent data recorded at different wavelengths.
Following the withdrawal of VMS operating system support for the CCP4 program suite, VMS support has now also been withdrawn for the Daresbury Laboratory Laue suite.
New version 6.0 of LAUEGEN and a new version of INTLDM. The handling of overloaded pixels within a spot has been changed. In the previous version, all spots with such pixels were flagged as intensity overloads. Using profile fitting, spots with only a few overloaded pixels can still be integrated to give good intensities. These intensities are determined by omitting the pixel positions of the oveloaded pixels from profile fitting mask when a spot is integrated. The number of overloaded pixels allowed within a spot, to be treated in this way, is set by the user (the new OVLIM extended LDM parameter). The intensity derived from any spot with more than the requested limit of overloaded pixels is flagged as being an intensity overload. In addition, when an MTZ file is output, the number of overload pixels within the spot is stored for each spot. The new versions also incorporates a new option for handling a cylindrical camera (new LDM keyword DGEOM (detector geometry) = flat (default) or cyl). Image data types 'mar' and 'pfbyte' are handled. In LAUEGEN, the image display now has separate limits for the maximum allowed width (850 pixels) and height (650) pixels.
NOTE: These versions of the programs require updated versions of some of the Laue libraries (see update notices for details)
New option in LAUEGEN for simulation of gnomonic projections; implemented in LAUEGEN version 5.0
New option for deconvoluting spatial overlaps added to Q. Hao's integration routines and implemented in latest versions of INTLDM (Version 1.1) and LAUEGEN (Version 4.2). Note that spatial deconvolution will always be done by the integration routine but may effectively be 'switched off' if not requiredd by setting a sufficiently large value for the LDM parameter SPOT_EPSILON.
WARNING: Bug found in spatial overlaps calculation when using radial masking option. Note that the number of spots flagged as spatial overlaps will increase. The bug fix affects LAUEGEN and INTLDM and the .ge1 files produced by LAUEGEN.
Details of the Daresbury Laboratory Laue Software Suite may now be found via the Laue Suite top page on the World Wide Web.
URL http://wserv1.dl.ac.uk/SRS/PX/jwc_laue/laue_top.html
The Laue Software Suite Documentation has been significantly modified. It is essentially all available via the WWW through the Laue suite home page. Figures for WWW access are in .gif format. The distribution version of the Laue suite contains equivalent documents in a plain (ascii) text format with Postscript equivalents for the figures. The Web pages and plain text documents are all generated at Daresbury from the same source (pre-html or program code) files using the 'extract_doc' program. HTML and/or these pre-html files could be also made available for distribution if there is sufficient demand.
A new version of LAUEGEN has been installed. The main additions are new options to determine spot sizes and to perform spot intensity integrations. The program uses integration routines written by Hao Quan which are fully compatible with all the current LDM developments. A more automated crystal orientation refinement procedure has been incorporated. The main processing options may also now be carried out via command line requests which may be used with the program in interactive, terminal or batch modes. A minor change to the existing functions is that output files (e.g. .ldm files) that already exist may optionally be overwritten.
The new version of LAUEGEN make use of a slightly extended set of LDM parameters making use of a new facility within LDM to define additional LDM like parameters for use in a particular program or set of programs. The basic set of LDM parameters remains unchanged and the extra parameters should always be regarded as a program specific extension though they appear to be handled as if they belonged to the LDM parameter set.
If you wish to install the new version of LAUEGEN ensure that you also obtain and compile new versions of the Laue and XDL_VIEW libraries.
NOTE: August 1996: The version of the XDL_VIEW library required will not be present in the CCP4 distribution until the next release, probably towards the end of 1996. You can get the required version from the CCP4 ftp area as xdl_view.tar.Z in pub/jwc
A new LDM compatible integration program INTLDM has been added to the suite. This makes use of integration routines written by Hao Quan. The same integration options are also being incorporated into the LAUEGEN program.
The CCP4 ftp area which also holds the distribution version of the Laue Software Suite has now been moved to ccp4a.dl.ac.uk.