ABOUT ENDEAVOUR

What it is and does

Endeavour is designed for the solution of crystal structures from powder diffraction data. Its innovative concept implies a combined global optimization of the difference between the calculated and measured diffraction pattern and of the potential energy of the system. Endeavour closes the remaining gap in the process of structure solution from powder diffraction data. Since Endeavour is based upon the experienced Diamond visualization technology, the user can watch the crystal structure evolving from a completely random arrangement of atoms to the final model during the solution process.

Highlights

Visit our Highlights pages to learn about Endeavour's method for structure solution and its implementation:

• Structure solution wizard
• Spacegroup determination
• Molecular structures
• Simultaneous optimization of potential energy
• How to derive potential parameters
• Auto-builder and visualization

Scientific Background

Details about the scientific background of Endeavour have been published in Journal of Applied Crystallography: H. Putz, J.C. Schoen, M. Jansen, Combined Method for "Ab Initio" Structure Solution from Powder Diffraction Data, J. Appl. Cryst. (1999), 32, 864-870.

Demo

An Endeavour trial version (current version number is 1.2) is available free-of-charge and can be downloaded via the Demo link on the top.