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Crystal Structure AnalysisPrinciples and Practice$
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William Clegg, Alexander J Blake, Jacqueline M Cole, John S O Evans, Peter Main, Simon Parsons, and David J Watkin

Print publication date: 2009

Print ISBN-13: 9780199219469

Published to Oxford Scholarship Online: September 2009

DOI: 10.1093/acprof:oso/9780199219469.001.0001

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Practical aspects of data collection

Practical aspects of data collection

(p.73) 6 Practical aspects of data collection
Crystal Structure Analysis

Alexander Blake

Oxford University Press

This chapter analyzes the collection of data on a modern area-detector diffractometer, with respect to the contributory factors: characteristics of the X-ray detector, choice of radiation appropriate to the sample, temperature, pressure, and other conditions. The various kinds of detector system are reviewed, with their advantages and disadvantages, and CCD (charge-coupled device) detectors are described in more detail, including the necessary corrections for spatial and intensity distortions and background dark current effects. Methods of screening samples with X-rays are described, and consideration given to practical aspects of obtaining unit cell and orientation information, with advice for difficult cases. Data collection parameters and characteristics affecting speed and quality include the general level of diffraction intensity, crystal mosaicity, symmetry, and the use of low-temperature devices.

Keywords:   data collection, area detector, charge-coupled device, wavelength, detector corrections, dark current, crystal screening

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