[sdpd] LMGP Crystallography suite for Windows by Jean Laugier and Bernard Bochu - Crystallography and Powder Diffraction Software

[L.M.D.Cranswick... @dl.ac.uk (L. Cranswick)]

The LMGP Crystallography software suite for Windows
by Jean Laugier and Bernard Bochu can now be downloaded
off the internet and tutorial run throughs can be browsed
before download.
(Laboratoire des Materiaux et du Génie Physique de l'Ecole
Supérieure de Physique de Grenoble http://www.inpg.fr/LMGP/)

The software is fully controlled via GUIs (Graphical User
Interfaces).  The tutorial runthroughs on how the software
works can be viewed via:

   http://www.ccp14.ac.uk/tutorial/lmgp/

And the software suite downloaded as ZIP files from:

   http://www.ccp14.ac.uk/ccp/web-mirrors/lmgp-laugier-bochu/

The LMGP suite at present consists of the following programs:

  OrientExpress LAUE software for Windows for orienting crystals.
    (described in previous post)

  equiv  - GUI Spacegroup software to generate extinctions/systematic
           absences, equivalent reflections.

   indx  - GIU Spacegroup software to calculate powder diffraction
           line positions, HKLs and multiplicities.

 DISPANO - Anomalous Scattering factor display software (used inside Poudrix)
      but this is free standing software.  Via a GUI, using either
      Brenann and Cowan or Sasaki data, presenting a graphical plot of
      f' and f'' allowing the user to enter a specific wavelength or Energy
      and outputting the resulting f' and f''.

  WULFF -  Wulff Map generating Software.  Generate a desired Map then
      output it to a hardcopy printer.  The user can specify different
      sizes for output.

  Celref - Graphical Powder Diffraction UNITCELL refinement software
      that can import a variety of raw data formats (CPI, RIET7,
      Siemens/Bruker, Philips).  While Celref does have a peak find
      facility, it is best to use the ability to import output from
      various peak profiling programs such as Bruker software, XFIT
      and Winfit.  Two features not normally found in UNITCELL refinement
      software is the ability to generate lines from a given Cell and
      SPACEGROUP, plus the ability to AUTOMATICALLY ASSIGN PEAKS to HKLs.
      All this done at the click of a button and can make it very useful
      for multiphase systems.

      A multiphase example tutorial using Celref Unit Cell refinement is at:
            http://www.ccp14.ac.uk/tutorial/lmgp/celref.htm

      Zero offset (as either a constant shift or sample excentricy) can be
      refined as well as wavelength.

      The ability to output files for spacegroups at the click of a button
      also allows the possibility of using Celref to assign spacegroups to
      powder data you have indexed.

 poudrix - Calculation of Powder diffraction patterns (including the
      ability to "accurately" use Anomalous Dispersion co-effecients at all
      wavelengths by either the Brenann and Cowan or Sasaki data; as well
      as modelling the polarisation of the X-ray beam - thus making it
      very applicable to Synchrotron (and laboratory) based powder
      diffraction problems).  Poudrix can import, PowderCell, Shelx and
      LazyPulvarix structure files Poudrix can also import raw diffraction
      (or previously calculated data) from Philips, Siemens/Bruker, RIET7
      and CPI format.  It can quickly model parasitic lines (K beta,
      Tungsten from the Tube) from tube sources, allowing the user to set
      the level of impurity of the lines.

-- 
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: l.cranswick... @dl.ac.uk  Ext: 3703  Room C14
                           http://www.ccp14.ac.uk