SIMPRO
Full Powder Pattern Fitting Program
Version 1.2
Harald Ritter
Institut für Kristallographie der Universität Tübingen
Charlottenstraße 33, D-72070 Tübingen, Germany
Tel: +49(0)7071 / 2976389
E-mail: harald.ritter@uni-tuebingen.de
Last modified: 3 Mar 2003
The most important features of the program:
- Refinement of multible phases
- Refinement of the wave vector components of a modulated structures
- 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 weights for each data point can be entered
- The Goodness-of-fit is given by Nsigma (J. Ihringer,
1995).
- Source code written in Fortran 77
- Runs on different Unix systems and on PC with
MS-DOS and Windows
Documentation:
Source code and binaries:
Reference:
- J.Ihringer, J. Appl. Cryst. 28, 618-619 (1995)
Contact: joerg.ihringer@uni-tuebingen.de