UNEX is a program environment for investigation of molecular structure. It has been created by the Vishnevskiy Group. In this project we develop new and existing experimental methods and combine them to increase accuracy and precision of results. At the current stage the full support for the gas electron diffraction (GED) method is provided, from the calibration of instruments and data reduction to the refinement of molecular structure. Additionally, rotational constants can be used solely or in combination with GED data for determination of molecular geometry. See the manual and tutorial for details.
April 14, 2025
A new major version 2.0 of UNEX is released with lots of improvements! Note, in this update the input and output formats have been significantly changed. For consistency, many commands and keywords have also been harmonized and renamed. All details are in the manual. Also in this version appeared a tutorial, which can be useful as a starting point in UNEX mastering.
Development activity
2025-12-11: Updated manual 2025-12-11: Manual updated 2025-12-11: Print intensity quantiles in ED pattern refinements 2025-12-09: Print standard deviations of image calibration 2025-12-09: Cleanups in image calibration 2025-12-09: Refactored output from diffraction pattern refinement 2025-12-08: Implemented calibration keywords for IMAGE:EDPTRNREFINE 2025-12-08: Implemented IMGDETCALIB:READ 2025-12-08: Added image detector calibration 2025-12-08: Cleanups in tests
