Structure solution software powder diffraction

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. 

Structure Solution Software Specifically for Powder Diffraction... 

Powder diffraction techniques have developed enormously since 1990. This is partly due to improved X-ray and neutron sources and instrumentation and partly because of improved methods, algorithms and software for structure solution and refinements of experimental data. The more effective computers are also important. 

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