There is a new version of Brian Toby's EXPGUI interface for GSAS (which
includes the Liveplot program) - which runs on Windows and UNIX.
Besides the ability to now graphically fixed background points; another
new feature is "cumulative chi squared plots" [as described by
Bill David in "Beyond least-squares analysis in profile refinement";
Accuracy in Powder Diffraction-III, 2001]
There is a CCP14 page showing EXPGUI in action with this feature -
comparing:
- Fixed Count Time X-ray Data
- Variable Count Time X-ray (VCT) Data
(using Rod Hill and Ian Madsen's published VCT data collection method)
- Constant Wavelength Neutron data
http://www.ccp14.ac.uk/solution/gsas/cumul_chi_sq_expgui.html
This includes links to freely available VCT source code, documentation and
DOS executables by Rod Hill and Ian Madsen - data logging command code is
presently optimised to work with a Philips 1710 controller.
(would it be correct to assume that most users of standard commercial
diffraction equipment and XRD control software are presently hamstrung in
only being able to collect "old fashioned" fixed count time (FCT) format
for structure solution and refinement?)
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The following is from a Brian Toby announcement - as people on the EXPGUI
mailing list already know.
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A new "alpha" test version of EXPGUI has been placed in
ftp://ftp.ncnr.nist.gov/pub/cryst/gsas/.
Download
ftp://ftp.ncnr.nist.gov/pub/cryst/gsas/expgui_alpha.exe
or
ftp://ftp.ncnr.nist.gov/pub/cryst/gsas/expgui_ALPHA.tar.gz
Please use this version of EXPGUI only with the latest versions of GSAS
(July 2001). If you need the July 2001 GSAS version for SGI, or want an
easy way to install on Linux (using RPM) contact me.
What's new:
Bill David's nice cumulative chi squared plot (from
his excellent "remote-control" talk at APD-III)
A nice tool for fixed background points
More refinement controls
See some web pages for more:
http://www.ncnr.nist.gov/xtal/software/expgui/alpha/liveplot.html
http://www.ncnr.nist.gov/xtal/software/expgui/alpha/expgui1.html
http://www.ncnr.nist.gov/xtal/software/expgui/alpha/wishlist.html
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-----------------------
Lachlan M. D. Cranswick
Geochemistry - Lamont-Doherty Earth Observatory, Columbia University
PO Box 1000, 61 Route 9W Palisades, New York 10964-1000 USA
Tel: (845) 365-8662 E-mail: [EMAIL PROTECTED]
Fax: (845) 365-8155 WWW: http://www.ldeo.columbia.edu/~lachlan/
CCP14 Xtal Software Website: http://www.ccp14.ac.uk
