Direct Phasing of Crystalline Materials from X-ray Powder Diffraction

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• 关键词：X ; ray powder diffraction ; Direct phasing methods ; Structure determination
• 刊名：Lecture Notes in Computer Science
• 出版年：2017
• 出版时间：2017
• 年：2017
• 卷：10149
• 期：1
• 页码：167-177
• 丛书名：Computational Modeling of Objects Presented in Images. Fundamentals, Methods, and Applications
• ISBN：978-3-319-54609-4
• 卷排序：10149

文摘

The direct-methods phasing program, Shake-and-Bake for single crystal structure determination, has been adapted and modified to solve microcrystal structures from X-ray powder diffraction data.