Table 2. Scores for potential individual symmetry operators for a pseudo-cubic example.

Items are as in Table 1 ▶. The unit-cell parameters are a = 79.15, b = 81.33, c = 81.15 Å, α = β = γ = 90°, i.e. a ≃ b ≃ c. Only the orthorhombic symmetry operators are present (marked ***) and the true space group is P2₁2₁2₁.

Likelihood	Z-CC	CC	No.	Rmeas		Symmetry	Operator
0.952	9.68	0.97	14733	0.074		Identity
0.943	9.50	0.95	12928	0.163	***	Twofold l (0 0 1)	{−h, −k, l}
0.948	9.59	0.96	12542	0.098	***	Twofold k (0 1 0)	{−h, k, −l}
0.944	9.52	0.95	17039	0.140	***	Twofold h (1 0 0)	{h, −k, −l}
0.051	0.55	0.05	13921	0.689		Twofold (1 −1 0)	{−k, −h, −l}
0.057	0.12	0.01	16647	0.734		Twofold (0 1 −1)	{−h, −l, −k}
0.069	2.87	0.29	10540	0.470		Twofold (1 0 −1)	{−l, −k, −h}
0.051	0.62	0.06	12229	0.690		Twofold (1 1 0)	{k, h, −l}
0.065	2.68	0.27	12829	0.484		Twofold (1 0 1)	{l, −k, h}
0.058	0.10	0.01	17477	0.736		Twofold (0 1 1)	{−h, l, k}
0.059	0.06	0.01	24869	0.824		Threefold (1 −1 −1)	{−k, l, −h} {−l, −h, k}
0.059	0.04	0.00	27024	0.814		Threefold (1 1 −1)	{−l, h, −k} {k, −l, −h}
0.058	0.08	0.01	22508	0.782		Threefold (1 −1 1)	{l, −h, −k} {−k, −l, h}
0.060	0.02	0.00	23818	0.824		Threefold (1 1 1)	{k, l, h} {l, h, k}
0.051	0.58	0.06	25338	0.635		Fourfold l (0 0 1)	{−k, h, l} {k, −h, l}
0.062	2.49	0.25	23516	0.476		Fourfold k (0 1 0)	{l, k, −h} {−l, k, h}
0.065	−0.15	−0.02	26383	0.739		Fourfold h (1 0 0)	{h, l, −k} {h, −l, k}