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. 2021 Apr 9;77(Pt 5):452–465. doi: 10.1107/S205698902100342X

Table 4. A search for higher metric symmetry in SAXDUR using XPREP. Tetra­gonal-I was dismissed, in part due to its much higher R sym. All four remaining cells are pseudo-tetra­gonal. C-centred equivalents of the monoclinic-I cells are not shown.

Option A: FOM = 0.077 deg. TETRAGONAL I-lattice R(sym) = 0.195 [5588]
Cell: 14.688 14.727 15.244 90.04 90.03 89.99 Volume: 3297.48
Matrix: -1.0000 -1.0000 0.0000 -1.0000 0.0000 -1.0000 0.0000 -1.0000 -1.0000
   
Option B: FOM = 0.050 deg. ORTHORHOMBIC I-lattice R(sym) = 0.119 [5445]
Cell: 14.688 14.727 15.244 89.96 90.03 90.01 Volume: 3297.48
Matrix: 1.0000 1.0000 0.0000 1.0000 0.0000 1.0000 0.0000 1.0000 1.0000
   
Option D: FOM = 0.030 deg. MONOCLINIC I-lattice R(sym) = 0.104 [3620]
Cell: 14.727 14.688 15.244 90.03 90.04 89.99 Volume: 3297.48
Matrix: 1.0000 0.0000 1.0000 1.0000 1.0000 0.0000 0.0000 1.0000 1.0000
   
Option F: FOM = 0.044 deg. MONOCLINIC I-lattice R(sym) = 0.099 [3615]
Cell: 14.688 14.727 15.244 89.96 90.03 90.01 Volume: 3297.48
Matrix: 1.0000 1.0000 0.0000 -1.0000 0.0000 -1.0000 0.0000 1.0000 1.0000
   
Option H: FOM = 0.050 deg. MONOCLINIC I-lattice R(sym) = 0.106 [3625]
Cell: 14.688 15.244 14.727 90.04 90.01 89.97 Volume: 3297.48
Matrix: 1.0000 1.0000 0.0000 0.0000 -1.0000 -1.0000 -1.0000 0.0000 -1.0000