Apologies - too quick of the mark. Weblinks now included: Tutorial run-throughs: http://www.ccp14.ac.uk/tutorial/lmgp/ LMGP Programs for download: http://www.ccp14.ac.uk/ccp/web-mirrors/lmgp-laugier-bochu/ Lachlan. >As part of the LMGP Suite for Windows by Jean Laugier and >Bernard Bochu, there is are updated versions of CELREF and POUDRIX. >Celref has a fix that for refining on cubic materialsm it will no >longer diverge when the given a value was too far from the true one. >Poudrix can now output simulated patterns in CPI (and a CPD format >that describes multiwavelength situations) >====== >As a reminder: >Celref is a complete GUI based unit cell refinement program that >can import raw data files and peak profile files, calculate >lines based on the spacegroup and auto-select/auto-match >calculated to observed peaks. >Poudrix is a powder diffraction calculation program that >also is able to use either "Brenann and Cowan or Sasaki" >Anomalous Dispersion data to calculate the contribution of >f' and f'' - plus can plot in 2-theta and Q-space. >Thus it is very apppropriate for simulating or looking at >Synchrotron based experiments. -- Lachlan M. D. Cranswick Collaborative Computational Project No 14 (CCP14) for Single Crystal and Powder Diffraction Daresbury Laboratory, Warrington, WA4 4AD U.K Tel: +44-1925-603703 Fax: +44-1925-603124 E-mail: [EMAIL PROTECTED] Ext: 3703 Room C14 http://www.ccp14.ac.uk
