New Beta of Powdercell Re: PowderCell and O2-

L. Cranswick ( L.M.D.Cranswick@dl.ac.uk )
Fri, 4 Sep 1998 20:13:58 +0100 (BST)

While this does not solve the O2- scattering factor problem
which should be an easy fix.
(not sure how many other people have also passed this onto the
authors)

There is a new (free) Beta version 2 of Powdercell which is described
on the Powder cell web-page and obtained by contacting the
author. (also an article in the latest CPD newsletter)

http://www.bam-berlin.de/a_v/v_1/powder/e_cell.html
http://www.ccp14.ac.uk/ccp/web-mirrors/powdcell/a_v/v_1/powder/e_cell.html

Contact: Gert Nolze - gert.nolze@bam.de

New features include:
Unit-cell refinement on raw data,
Enhanced model building of structures.
Modelling/following Supergroup and Subgroup phase transistions.

Lachlan.

> You might also try the reference Hovestreydt, E. (1983) Acta Cryst. A39,
> p268, for the O2- scattering coefficients. They give:
> a1..4 = 3.75040, 2.84294, 1.54298, 1.62091; b1..4 = 16.5151, 6.59203,
> 0.319201, 43.3486, c=0.242060.
>
> Caio
> Brett
>
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-- Lachlan M. D. CranswickCollaborative Computational Project No 14 (CCP14)    for Single Crystal and Powder DiffractionDaresbury Laboratory, Warrington, WA4 4AD U.KTel: +44-1925-603703  Fax: +44-1925-603124  E-mail: l.cranswick@dl.ac.uk  Ext: 3703  Room C14NEW CCP14 Web Domain (Under heavy construction):                           http://www.ccp14.ac.uk