CRYSTAL
IMPACT's basic goal is to develop high quality software which allows
even non-specialist users to apply most recent scientific and software
technologies. Key areas of activity are crystal structure solution,
visualization, phase identification from powder, as well as crystal
structure databases. Chemists, physicists and material scientists from
industry and academic institutions in more than 60 countries all over
the world use Crystal Impact's innovative software tools to determine,
visualize and understand the crystal structures of their compounds,
investigate the composition of their samples by powder diffraction, or
search crystallographic databases for information about recent
advancements in their area of research.
Diamond |
EndeavourEndeavour
Match! |
Endeavour is a powerful software for crystal structure solution, both
from powder as well as single crystal diffraction data. Based on more
than ten years of experience, the software is capable of solving many
small to medium sized structures more or less on its own. 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.
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. The structure
solution is performed using a special variant of the "direct-space"
approach, namely a combined global optimization of the difference
between calculated and observed diffraction data and of the potential
energy of the system. 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.
|

|
|