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SIMREF

SIMPRO is a program for SIMultaneous Rietveld REFinement with multible powder datasets. The most important features of the program are:

  • Refinement of multible datasets from X-ray (tubes), synchrotron and neutron diffractometers
  • Refinement of multible phases
  • Refinement of modulated structures with symmetry adapted displacement vectors
  • Calculation of powder patterns, structure factors and hkl lists
  • Lorentz polarisation and geometry factors for different diffractometers
  • Different peak shape functions
  • Peak-shift correction by fitting a second-order polynomial in 2theta
  • Scaling the 2theta values on standards: the lattice constants of silicon in the whole temperature range up to
  • 1500 K are built in
  • Background fitting with a 6th-order polynomial or fixed values
  • Individual weight scheme for each data set
  • The Goodness-of-fit is given by Nsigma (J. Ihringer, 1995).
  • Calculation of distances after the refinement

Current Version:   2.4

License Type:   ??

Home Site:
http://www.uni-tuebingen.de/uni/pki/simref/simref.html

Source Code Availability:   Yes

Available Binary Packages:

  • Debian Package:   No
  • RedHat RPM Package:   No
  • Other Packages:   No

Targeted Platforms:

MS-DOS/Windows, Unix (makefile for Linux is included in source distribution)

Software/Hardware Requirements:

Fortran Compiler

Other Links:
SIMPRO
http://www.uni-tuebingen.de/uni/pki/ (Other related software)

Mailing Lists/USENET News Groups:

None

User Comments:

  • None

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