where mode is: 1. define
scattering plane vectors, a single reflection, and the lattice constants. 2. define 2
non-colinear reflections are the lattice constants. 3. linear
least-squares refinement of the orientation and lattice constants.
n1-n9 are read as the 9 elements of the 3x3 UB matrix array - this
option should only be used by advanced users.
The file option reads from a UB matrix configuration file. This
can be used to restore an old orientation and is used extensively in the
GUI.
Calculation of the UB matrix can also be accomplished from the GUI by
selecting the UB Matrix
tab from the Sample top-level
tab. The mode is selected from the blue pull-down menu. The
options for the mode are:
1. Define scattering plane vector and 1 reflection
2. Define 2
non-colinear reflections
3. Refine UB (3
non-coplanar reflections required) (shown in
the image below).
To recalculate the UB matrix using the selected mode, hit the blue Calculate
UB Matrix Update Orientation Information button. This will
result in a popup box where the results of the UB matrix calculation are
presented (an example is shown in the lower image). The user can then
choose to accept the calculation or CANCEL.
NOTE: the orientation information is easier to modify from the GUI than
from the command-line as it allows the user to preview the orientation
information prior to accepting the changes. The ubcalc command
should only be executed from the command-line by experienced users as it
could yield unexpected results. For detailed information about
entering orientation information from the GUI see the How to
align a single crystal guide.
