# [phenixbb] Twinned Refinement in P 1 21 1

Yuri yuri.pompeu at ufl.edu
Tue Sep 27 20:34:29 PDT 2011

```I dont see spcgrp number 20 on here?
Should I be concerned?

>>>
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
```