PREABS is a work in progress. It is intended to
permit graphical editing of crystal size and shape in order
to accurately model real crystals of ill defined shape.
Unfortunately the editing aspect of this program has not
been completed. It does however, permit visualization of
crystal models constructed via the usual ABSORB face
description methods. The crystal model is displayed,
embedded within the ABSORB, internal, equivalent
diffractometer specification, corresponding to the Busing
and Levy (1967) system. The overall view of the crystal and
diffractometer can be rotated with left-mouse-click-drag
events, and by switching the right-mouse-button mode, the
crystal can be rotated about specific diffractometer circle
axes. The position of the telescope is adjustable and an
image of the crystal through the telescope can be
obtained.
General control functionality
This control reset all diffractometer angles to
zero
Switches on/or off both the reciprocal and real
space axes on the model
Switches the diffractometer coordinate systems on
or off. This is a four mode switch, since both the XTAL
coordinate system and the actual diffractometer
coordinate system may be different. Setting 0 switches
both axes systems off. Setting 1 switches the XTAL coords
on, setting 2 switchesthe real coords on, while the final
setting displays both sets of axes. Drawing the real
diffractometer axes requires the presence of the original
UB matrix used to measure the reflection data on the xtal
archive.
Activating the
ANIM
option switches on animation. In this mode,
and left-mouse-click-drag-release events are converted to
angular momentum, and the diffractometer as a whole is
set spinning. To stop a spinning image, simply
left-click-release with no mouse motion. Reselecting
ANIM
, switches this mode off.
Currently has no functionality
Switches filling of the front display surfaces of
the diffractometer circles on or off. This can result in
significantly slower rendering.
This control switches on or off the display of
diffractometer faces which face away from the viewing
direction.
Currently has no functionality
This control switches on or off the crystal face
normals and their associated approximate miller
indices.
Activating the
TELESCOPE
mode, temporarily changes the functionality
of the right mouse button, such that by
right-mouse-click-drag-release events, the position of
the telescope can be dragged to an orientation
corresponding to that on the actual measurement
diffractometer. The telescope can then be locked to move
synchronously with the omega axis, if that is where it is
mounted, or else it can be locked rigidly with respect to
the incident beam collimator. These settings are
diffractometer specific, but the user must choose between
the two
COLLIMATOR
or ω
CIRCLE
options available in the message display
panel before exiting from telescope adjustment
mode.
Three viewing modes are available. The default view
is an overall view of the whole diffractometer. The
second view has an additional reduced image of the
crystal in the lower left corner, as seen through the
telescope. The third view is a larger view of the crystal
through the telescope. Note that the telescope view has
greatly reduced functionality over the default
diffractometer view.
Currently has no functionality
Currently has no functionality.
SCAT VECTOR
is a three state button for displaying
scattering vectors of reflections lying on or near the
Ewald sphere surface. In the first mode, only those
reflections lying in the equatorial plane of the
diffractometer are displayed, whereas in the second mode
all reflections on the surface of the Ewald sphere are
represented by scattering vectors. In the third mode
scattering vectors are switched off.
DIFF VECTOR
is a three state button for displaying the
diffracted beams scattered by crystal in its current
orientation i.e. those reflections lying on or near the
Ewald sphere surface. In the first mode, only those
diffraction vectors of reflections lying in the
equatorial plane of the diffractometer are displayed,
whereas in the second mode all reflections on the surface
of the Ewald sphere are represented. In the third mode
diffraction vectors are switched off.
EWALD
is a three state button for displaying the
currently active reflections lying near the surface of
the EWALD sphere as reciprocal space points, rather than
vectors. The first mode displays just those near active
reflections in the equatorial plane, the second displays
all reflections near the Ewald surface, and the third
mode disables the reciprocal lattice point display. It is
important to note that the tolerance for points being
displayed on this surface is essentially +/- 1/2h, k or
l, which is in fact very much higher than you could
expect in a real experiment, so that many more
reflections appear active than is actually the likely,
given their distance from the sphere surface.
This is another three state control for switching
on/off the labelling of reciprocal lattice points lying
near the Ewald sphere surface.
Currently has no functionality.
Currently has no functionality.
Currently has no functionality.
Currently has no functionality.
Currently has no functionality.
Currently has no functionality.
Currently has no functionality.
Currently has no functionality.
Terminates the current PREABS process
immediately.
This controls the default functionality of the
Right-Mouse-Button. By default this is set to ω
but successive selections change it to χ, φ
and back to ω. In any particular mode, rotations
about the corresponding diffractometer axis are
calculated by representing that particular axis circle as
a sphere centred on the crystal and projecting forward
out of the screen, but constrained to rotate about its
axis. Any right-mouse-motion is mapped to rotations of
this sphere about the axis in question.