dtprocess on-line help

Orient: Determine angles to achieve an orientation.

1. Select a header from the top list. Usually this is dtrefine.head.
2. Set the menu options described below.
3. Select Run orient
4. View the dtorient log file and select the desired solution.

Orient menu options

Crystal vector 1

Select the crystal vector that you want parallel to lab vector 1. You may select a real or reciprocal axis or a diagonal.

Lab vector 1

Select the lab vector or direction that you want crystal vector 1 to be parallel to. Usually Omega and X are the same direction. Also Source and Z are usually the same direction.

Crystal vector 2

Select the crystal vector that you want parallel to lab vector 2. You may select a real or reciprocal axis or a diagonal.

Lab vector 2

Select the lab vector or direction that you want crystal vector 2 to be parallel to.

Rotate crystal by

Set the degrees to rotate the crystal by around a vector.

around

Select the lab vector or direction to rotation the crystal around.

More info

The starting crystal orientation is found in the input header file. The resulting orientation is written to dtorient.head. You may wish to orient your crystal so that a mirror plane is perpendicular to the rotation axis. In such an orientation, Bijvoet pairs of reflections can be collected simultaneously.