2009
DOI: 10.1515/abpr.2009.002
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Africana Reference Works: An Annotated List of 2007 Titles

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“…Scatter plots of I obs versus I calcd showed no systematic deviations for weak reflections. We note that recently developed charge flipping methods of structure solution are particularly tolerant of pseudosymmetry. , In fact, a “default” application of charge flipping as implemented in the Topas software suite will typically correctly locate all (or the vast majority of) atomic positions within a few seconds, producing a trial structure which can be refined readily. This procedure was therefore adopted for later high-temperature data sets.…”
Section: Resultsmentioning
confidence: 99%
“…Scatter plots of I obs versus I calcd showed no systematic deviations for weak reflections. We note that recently developed charge flipping methods of structure solution are particularly tolerant of pseudosymmetry. , In fact, a “default” application of charge flipping as implemented in the Topas software suite will typically correctly locate all (or the vast majority of) atomic positions within a few seconds, producing a trial structure which can be refined readily. This procedure was therefore adopted for later high-temperature data sets.…”
Section: Resultsmentioning
confidence: 99%