Structure solution software single crystal

Structure Solution Using Single Crystal Software... 

While overshadowed by dedicated powder diffraction based structure solution software, single crystal structure solution programs can still be used where a list of HKLs and intensities are available and can be usefully applied (Table 17.23). This allows not only the use of Direct Methods, but also Patterson and Patterson-based fragment searching. Armel Le Bail s Overlap program (listed in Table 17.16) can remove reflections that are excessively overlapped, sometimes aiding single crystal software based structure solution. 

Single-crystal X-ray diffraction is the most useful experimental technique available for the determination of the three-dimensional crystal arrangement. Improvements in automated data collection methods on computer-controlled diffractometers and the development of more-robust refinement software has led to structure solution becoming almost routine. Over the past 10 years the total number of structures stored in the Cambridge Crystallographic Database (often referred to as the Cambridge Structural... 

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