NEUTRON: Using EXPO (sequel to Sirpow) to solve on Neutron data

L. Cranswick L.M.D.Cranswick at
Wed Jan 19 23:36:06 CST 2000

There is an example run-through of using the EXPO direct
methods structure solving software for powder diffraction
(sequel to Sirpow from the Sirware group) to solve on
Neutron powder diffraction.  (A rather contrived example
using a calculated UREA pattern from the Fullprof
distribution but shows the setup)

EXPO is freely available for academic/student usage and
works on UNIX, Windows and VAX.  It is one of the programs
of first choice for solving structures from powder data.


I would be interested to hear of other software (preferably
freely available for academic/student use) used to solve
structures on Neutron data.  But hearing of any software 
(freeware/commercial) would be good.

I should note that the latest WinGX single crystal suite will
handle both X-ray and Neutron data - and links to a variety of 
structure solving software packages.


Lachlan M. D. Cranswick

Collaborative Computational Project No 14 (CCP14)
    for Single Crystal and Powder Diffraction

15th December 1999 to 4th March 2000
Queen's University, Dept Geological Sciences, 
Miller Hall, Union St, Kingston, Ontario
Canada, K7L 3N6

Daresbury Laboratory, Warrington, WA4 4AD U.K
Tel: +44-1925-603703  Fax: +44-1925-603124
E-mail: l.cranswick at  Ext: 3703  Room C14

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