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Crystallography
 
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Software from LfK

Yell: a program for diffuse scattering interpretation

FOCUS package

Program package including
     FOCUS (works with both electron diffraction and X-ray powder diffraction data)
     DLS-76
     Kriber and
     several useful tools.

Please consult the manual for installation instructions.

Note (added 17-May-2017): The most recent version of the package can be found at: github.com/stefsmeets/focus_package.

XRS-82

The X-ray Rietveld System (XRS) is a collection of programs
for crystal structural analysis with powder diffraction data. It
provides routines at all levels of the analysis - examples are Fourier
transforms and least-squares (Rietveld) refinements, and also programs
to aid in the interpretation and publication of the refined results.

Contact Christian Baerlocher for more information.

DLS-76

DLS-76 (distance least squares) is a simple but effective geometry optimization program.

Included in FOCUS package (see above).

Contact Christian Baerlocher for more information.

Kriber

Kriber is an interactive program to

Included in FOCUS package (see above)

Contact Christian Baerlocher for more information.

SgInfo

SgInfo is a comprehesive collection of ANSI C routines for the handling of space group symmetry. It has been superseded by the space group toolbox (sgtbx), which is part of the open source package Computational Crystallography Toolbox (cctbx).

 

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© 2016 ETH Zurich | Imprint | Disclaimer | 26 August 2013
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