The finer things in X-ray diffraction data collection

The finer things in X-ray diffraction data collection

Received 6 May 1999 Accepted 5 July 1999 | J. W. Pflugath
The article discusses the characteristics and processing of X-ray diffraction images collected using two-dimensional position-sensitive detectors, such as CCDs and imaging plates. The images are categorized as "thick" or "thin" based on the rotation-angle increment per image relative to the crystal mosaicity. Thick images have larger rotation-angle increments, resulting in more fully recorded reflections, while thin images have smaller increments, leading to predominantly partially recorded reflections. The article compares the processing of these two types of images, highlighting differences in spatial overlap, saturated pixels, X-ray background, and Iσ(I). It introduces the d*TREK software suite for processing diffraction images and compares its results with those from other popular packages. The author emphasizes the importance of selecting optimal rotation-angle increments to minimize spatial overlaps, saturated pixels, and noise, while noting that thinner images generally produce fewer spatial overlaps and saturated pixels but may suffer from increased detector noise. The article concludes with guidelines for choosing the best rotation-angle increment based on crystal mosaicity and experimental setup.The article discusses the characteristics and processing of X-ray diffraction images collected using two-dimensional position-sensitive detectors, such as CCDs and imaging plates. The images are categorized as "thick" or "thin" based on the rotation-angle increment per image relative to the crystal mosaicity. Thick images have larger rotation-angle increments, resulting in more fully recorded reflections, while thin images have smaller increments, leading to predominantly partially recorded reflections. The article compares the processing of these two types of images, highlighting differences in spatial overlap, saturated pixels, X-ray background, and Iσ(I). It introduces the d*TREK software suite for processing diffraction images and compares its results with those from other popular packages. The author emphasizes the importance of selecting optimal rotation-angle increments to minimize spatial overlaps, saturated pixels, and noise, while noting that thinner images generally produce fewer spatial overlaps and saturated pixels but may suffer from increased detector noise. The article concludes with guidelines for choosing the best rotation-angle increment based on crystal mosaicity and experimental setup.
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