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A comparison of three recently published methods for superimposing vector sets by pure rotation (1989)

Diamond, R.

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

Acta crystallographica 45 (1989), S. 657-657

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ISSN: 1600-5724

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

Topics: Chemistry and Pharmacology , Geosciences , Physics

Notes: Solutions to the rotational superposition problem published recently by Diamond [Acta Cryst. (1988), A44, 211-216] Kearsley [Acta Cryst. (1989), A45, 208-210] and MacKay [Acta Cryst. (1984), A40, 165-166] are compared. It is shown that the first two of these are identical and that MacKay's solution underestimates the rotation unless the initial orientation is optimal or perfect fitting is possible, or the residual vectors after optimal fitting are all parallel to the corresponding rotation axis.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1107/S0108767389006483

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