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CHESS
Chi Optimization Program
Name: chiopt - Chi Optimization Program
Description:
chiopt is an executable run under a terminal window. It is used
to optimize Chi in a non-dispersive geometry for examining the rocking curve
of a crystal using x-rays monochromated by a similar crystal. If
diffracting planes of the measured crystal are not parallel to the
diffracting planes of the monochromating crystal, the rocking curve will be
artificially broadened and will not reflect the quality of the crystal.
To optimize Chi, recover the
diffraction spot, and then run a Chi-Theta mesh. It is best to scan
Theta first:
mesh th thst thend thint chi chst
chend chint timeNote the mesh number and the name of the spec data file.
Choose the ranges of th (Theta) and chi (Chi) to include all
of each Theta rocking curve above the half maximum, to resolve at least five
points above the half maximum in each Theta rocking curve, to include at
least five values of Chi, and to keep the diffracted beam on the detector.
Invoke chiopt as a unix program:
chiopt -i specdatafile -l logfile -o outfile
meshnumber
and then either cat or edit outfile to find the optimum value for
Chi.
The program chiopt reads the data recorded by spec and
determines the full width at half maximum of the Theta rocking curve for
each value of Chi in the mesh, and then fits the FWHM as an hyperbolic
function of Chi to determine the value of Chi at which the FWHM should be at
a minimum. The output file also includes a table of the FWHM, the fit,
and the error in the fit as a function of Chi, which can be graphed to
evaluate the acceptability of the fit. The program has some logic to
help reject data which are flawed because the diffracted beam partially or
completely missed the detector.
If the program is not on your station computer, the source files can be
downloaded via ftp from b1.chess.cornell.edu, where they are located
in the directory me/jlg31/chiopt. The command to port the
program is:
make -f chiopt.mf
Original by: J. Lee Geiger 7-2003
Last Update:
2006-09-14
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