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.