Endeavour is a powerful software for crystal structure solution from powder diffraction data. The innovative concept combined with the elaborate user interface makes the solution of crystal structures an almost routine process, especially for inorganic but also for many organic compounds.

The program package solves crystal structures from X-ray, neutron, or electron diffraction data, using a combined global optimization of the difference between calculated and observed diffraction pattern and the potential energy of the system (Pareto optimization). Due to the additional usage of the potential energy, the method is much less sensitive to low-quality diffraction data than e.g. direct methods.

Endeavour structure solution framework in action (Click to enlarge)

Even unexperienced users can prepare and perform the structure solution calculation in a few steps: Simply follow the integrated "wizard" to enter the required data (unit cell parameters, chemical composition, diffraction data), and let Endeavour do the rest.

A new version 2.0 of Endeavour is planned to be released in the first half of 2026. The most important improvement over version 1 is to perform structure solutions as parallel calculations, making better use of multiple existing processor cores. An overview of the new features can be found here.

Users of the current Endeavour version 1.8 or older versions 1.x can update to version 2 at a reduced price. Customers who purchased Endeavour after December 31, 2023 can update free-of-charge.