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Erschienen in:
Early History of X-Ray Crystallography Kapitel lesen Erstes Kapitel lesen

2020 | OriginalPaper | Buchkapitel

Leading Edge Chemical Crystallography Service Provision and Its Impact on Crystallographic Data Science in the Twenty-First Century

verfasst von : Simon J. Coles, David R. Allan, Christine M. Beavers, Simon J. Teat, Stephen J. W. Holgate, Clare A. Tovee

Erschienen in: 21st Century Challenges in Chemical Crystallography I

Verlag: Springer International Publishing

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Abstract

National facilities provide state-of-the-art crystallographic instrumentation and processes and tend to act as an indicator for the direction of a community in the medium term. There has been a significant step up in terms of instrumentation and approach in the last 10 years which has driven data generation. This has had a significant impact on databases – in turn we observe a substantial change in the use of the Cambridge Structural Database (CSD) from relatively basic search/retrieve to gaining deep understanding about factors that govern the solid state. Databases are now able to drive new science in areas such as crystal engineering. Looking forward, we will see more automated pipelining of the data generation process, and this will require better integration with databases. Databases will provide more predictive power – and this will inform the science/crystallography that should be done.

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Vorheriges Kapitel Recent Developments in the Refinement and Analysis of Crystal Structures
Nächstes Kapitel Crystallography Under High Pressures
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Metadaten
Titel
Leading Edge Chemical Crystallography Service Provision and Its Impact on Crystallographic Data Science in the Twenty-First Century
verfasst von
Simon J. Coles
David R. Allan
Christine M. Beavers
Simon J. Teat
Stephen J. W. Holgate
Clare A. Tovee
Copyright-Jahr
2020
Buch
21st Century Challenges in Chemical Crystallography I

Print ISBN: 978-3-030-64742-1

Electronic ISBN: 978-3-030-64743-8

Copyright-Jahr: 2020

DOI
https://doi.org/10.1007/430_2020_63

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