Peakref
Introduction
Input files for Peakref
Output files for Peakref
Getting Started
Help
Verson History
Peakref is a refinement program. Input consists
of reflection impact
positions on a 2d area detector. The program refines various
variables (cell parameters, cell orientation, detector position,
crystal position) with a simplex method. The program tries to
minimize the differences between the observed impact positions
and the calculated positions
(see glossary for an explanation
of the residue functions).
The initial cell parameters and orientation have to be supplied in
a rmat file.
Peak positions must be supplied in
pk file(s).
The refined detector variables can be saved in detalign.vic files.
The refined cell parameters and orientations can be saved in
rmat files.
Use npeakref for simple cases. If it gets too
difficult for the GUI,
you can use the commandline version of the program directly.
Start the program with the command peakref.
Once peakref is started, it checks whether the file
peakref.init exists in the directory where
the program is located. If this file exists, it will be
executed.
Next, the program checks whether the file
peakref.init exists in the current directory.
If this file exists, it will be executed.
Commands may be specified on the command line.
See examples.
By typing help at the Peakref prompt, a browser is
started to display this documentation.
- Version 1.3
- Version 1.2 22-apr-2003
EVPY Suite Overview