On Tue, Sep 27, 2011 at 8:34 PM, Yuri <yuri.pompeu@ufl.edu> wrote:
I dont see spcgrp number 20 on here?
Should I be concerned?

No. It only shows the point groups. The lattice symmetry will be as hoped when building the R-free flags.
Ralf
 

Unit cell: (44.767, 130.64, 88.33, 90, 104.6, 90)
Space group: P 1 (No. 1)

Angular tolerance: 5.000 degrees

Similar symmetries
==================

Symmetry in minimum-lengths cell: C m m m (x+y,2*y,z) (No. 65)
     Input minimum-lengths cell: (44.767, 88.33, 130.64, 90, 90, 104.6)
          Symmetry-adapted cell: (44.767, 88.36, 130.64, 90, 90, 104.674)
           Conventional setting: C m m m (No. 65)
                      Unit cell: (44.767, 170.956, 130.64, 90, 90, 90)
                Change of basis: x-1/2*z,1/2*z,-y
                        Inverse: x+y,-z,2*y
     Maximal angular difference: 0.079 degrees

Symmetry in minimum-lengths cell: C 1 2/m 1 (x-y,2*x,z) (No. 12)
     Input minimum-lengths cell: (44.767, 88.33, 130.64, 90, 90, 104.6)
          Symmetry-adapted cell: (44.767, 88.36, 130.64, 90, 90, 104.674)
           Conventional setting: C 1 2/m 1 (No. 12)
                      Unit cell: (170.956, 44.767, 130.64, 90, 90, 90)
                Change of basis: 1/2*z,-x+1/2*z,-y
                        Inverse: x-y,-z,2*x
     Maximal angular difference: 0.079 degrees

Symmetry in minimum-lengths cell: C 1 2/m 1 (x+y,2*y,z) (No. 12)
     Input minimum-lengths cell: (44.767, 88.33, 130.64, 90, 90, 104.6)
          Symmetry-adapted cell: (44.767, 88.36, 130.64, 90, 90, 104.674)
           Conventional setting: C 1 2/m 1 (No. 12)
                      Unit cell: (44.767, 170.956, 130.64, 90, 90, 90)
                Change of basis: x-1/2*z,1/2*z,-y
                        Inverse: x+y,-z,2*y
     Maximal angular difference: 0.079 degrees

Symmetry in minimum-lengths cell: P 1 1 2/m (No. 10)
     Input minimum-lengths cell: (44.767, 88.33, 130.64, 90, 90, 104.6)
          Symmetry-adapted cell: (44.767, 88.33, 130.64, 90, 90, 104.6)
           Conventional setting: P 1 2/m 1 (No. 10)
                      Unit cell: (44.767, 130.64, 88.33, 90, 104.6, 90)
                Change of basis: x,y,z
                        Inverse: x,y,z
     Maximal angular difference: 0.000 degrees

Symmetry in minimum-lengths cell: P -1 (No. 2)
     Input minimum-lengths cell: (44.767, 88.33, 130.64, 90, 90, 104.6)
          Symmetry-adapted cell: (44.767, 88.33, 130.64, 90, 90, 104.6)
           Conventional setting: P -1 (No. 2)
                      Unit cell: (44.767, 88.33, 130.64, 90, 90, 104.6)
                Change of basis: x,z,-y
                        Inverse: x,-z,y
     Maximal angular difference: 0.000 degrees

--
Yuri Pompeu
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