wiki:News2011Aug17
Last modified 8 years ago Last modified on 08/17/11 18:23:53

EXPGUI updates Aug 17, 2011

Lots of work changes have been applied to the standard release of EXPGUI that have been in the development version for a while

New capabilities in EXPGUI

  • Interface to distance-angle (DISAGL) parameters*
  • Distance soft-contraints [restraints] module*
  • Rigid body module (now documented)*
  • Interface to fix atom coordinates*

New capabilities in LIVEPLOT

  • Publication quality PDF export (all platforms, N.B. windows speed recently improved)
  • Magnification regions: multiply intensity as a function of 2theta, Q,...
  • Plot I/sigma(I)
  • Edit title
  • Improved placement of automatic tick marks (now the default)

These changes are intended to make LIVEPLOT more useful for preparing diffraction figures for presentations and publication.

Diagnostics/Error? Recovery

  • Blowup detector: EXPGUI warns when a corrupt .EXP file is encountered
  • Revert menu: Eases returning to a previous refinement

In addition, significant revisions have been made to the documentation and there have been many smaller bug fixes. I hope more bugs have been fixed than introduced.

bug fixes:

  • InstEdit bugs have been addressed and a new menu item makes creating a new file more clear.
  • Fixed bug in setting the max 2theta value for CW data (caused by a TOF fix).
  • On Windows 7 -- some systems -- EXPGUI fails to expand itself after a run of GENLES, etc. The "Iconify during GSAS" option has been removed on this platform, since that prevents the problem.

Note, items marked with a * are thanks to a large extent to the efforts of Charles Lake of Indiana University of Pennsylvania. Thanks to also Vince West who implemented a gnuplot export in CMPR that I ripped off for LIVEPLOT.