[sdpd] RIET: BayMEM structure solution software for periodic and aperiodic structures.

["L. Cranswick" <l.m.d.cranswick...@dl.ac.uk>]

Sent on behalf of one of the authors, Lukas Palatinus 
---------------------------

BayMEM structure solution software for periodic and aperiodic
structures.

BayMEM is a structure solution package using Maximum Entropy methods.
The most important feature of BayMEM is ist ability to work in arbitrary
dimension, making it possible to also work with aperiodic structures (as
well as with periodic ones).

The Jana single crystal and powder diffraction refinement software also
includes an interface into BayMEM. If Jana is used to export files for
BayMEM, the decomposition of powder patterns made by Jana can be used as
input.

The Jana homepage is at:

  http://www-xray.fzu.cz/jana/Jana2000/jana.html

----------

BayMEM also includes an implementation of the charge flipping algorithm
for ab initio structure solution of crystal structures. This part can be
applied to powders, too, if the powder can be reasonably decomposed into
single intensities.

The input to BayMEM are phased structure factors. Thus, if the powder
pattern can be (more or less) reliably decomposed into individual
intensities, these can be used as an input to BayMEM. Moreover, BayEM
includes an option to take into account the intensities of overlapping
groups of peaks.

At the moment there is no webpage for BayMEM, and BayMEM is distributed
by E-mail upon request, which should be addressed to prof. Sander van
Smaalen (smash...@uni-bayreuth.de).

---------------------------------

-- 
-----------------------
Lachlan M. D. Cranswick
Contact outside working hours /
  Coordonnees en dehors des heures de travail:
NEW E-mail / courriel: lc *at* bluehaze.com.au Home Tel: (613) 584-4226
Mobile/Cell: 613 401 3433   WWW: http://lachlan.bluehaze.com.au/
        P.O. Box 2057, Deep River, Ontario, Canada, K0J 1P0

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