DIRDIF -DIRP1
DIRP1 option
DIRP1 is not a program but a special option that can be useful for the
solution of a structure in case the user is very uncertain about
the space group, the composition of the compound, and/or the
position of some heavy atoms. The option DIRP1 causes the reflection
data to be expanded to space group P1 (or centered equivalent e.g.
C1) and the program
PHASEX
to be executed for elucidation
of the structure in P1. The input atom may be, for
instance, one atom in the origin! After inspection of the
results (made asymmetric by the enantiomorph-fixing procedure)
the user decides how to continue.
When the user calls for DIRP1, and 'solves' the structure in P1,
he must recognize and locate the symmetry elements.