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Endeavour 是专业的化学工业软件,用来设计粉末衍射的晶体结构。Endeavour是为了由散状衍射数据解决晶状结构而设计的软件。对系统位能结合全球最佳化的计算与测量衍射样品差异,让使用者观看从完全随机原子组合到最后成型晶状结构的进化过程。适用Windows所有作业平台。
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. The user can watch the crystal structure evolving from a completely random arrangement of atoms to the final model during the solution process.
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.