A comparison of three recently published methods for superimposing vector sets by pure rotation
R. Diamond · Acta Crystallographica Section A Foundations of Crystallography · 1989
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.