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Orientation matrix refinement during four-circle diffractometer data collection (1984)

Clegg, W.

[S.l.] : International Union of Crystallography (IUCr)

Acta crystallographica 40 (1984), S. 703-704

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ISSN: 1600-5724

Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Topics: Chemistry and Pharmacology , Geosciences , Physics

Notes: Crystal movement, detected during data collection, requires the orientation matrix to be modified, so that reflection positions can be correctly predicted. If the unit cell is assumed to remain unchanged, the necessary modification is a small rotation of the matrix, viz premultiplication by an orthogonal matrix. This rotation is easily calculated from the observed positions of two or more centred reflections, by the application of quaternion algebra.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1107/S0108767384001446

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