Figure 1
(a) A flow chart of Niggli Reduction Tools, and (b) a screen capture of the graphical user interface of the package. The parameters `eps 1~3' define the tolerance of the edges of the input cell; `eps d/A' are the errors of the edges and angles of the Bravais lattice; and `N' is the range of indices. From top to bottom in the `Results' box are pairs of the unit cell, the real reduced cell, the reciprocal reduced cell and the reciprocal primitive cell (raw cell), as well as figures of merit FOMa and FOMα of the unit cell and the raw cell, the evaluated errors of the raw cell `delta', the S matrix and the Bravais criteria, the Bravais-lattice-plane indices, the zone-axis indices, the tilt angles, and the radius of the HOLZ ring. |