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On-the-fly Data Assessment for High Throughput X-ray Diffraction Measurement
Investment in brighter sources and larger and faster detectors has
accelerated the speed of data acquisition at national user facilities. The
accelerated data acquisition offers many opportunities for discovery of new
materials, but it also presents a daunting challenge. The rate of data
acquisition far exceeds the current speed of data quality assessment, resulting
in less than optimal data and data coverage, which in extreme cases forces
recollection of data. Herein, we show how this challenge can be addressed
through development of an approach that makes routine data assessment automatic
and instantaneous. Through extracting and visualizing customized attributes in
real time, data quality and coverage, as well as other scientifically relevant
information contained in large datasets is highlighted. Deployment of such an
approach not only improves the quality of data but also helps optimize usage of
expensive characterization resources by prioritizing measurements of highest
scientific impact. We anticipate our approach to become a starting point for a
sophisticated decision-tree that optimizes data quality and maximizes
scientific content in real time through automation. With these efforts to
integrate more automation in data collection and analysis, we can truly take
advantage of the accelerating speed of data acquisition
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