Help Window
This applet allows you to solve the
c-axis projection of a crystal with the following
spacegroup
a=8.035 b=10.309 c=3.795 Å P21 21 2.
Partly because the c-axis is
relatively short, none of the atoms overlaps, so the molecular
structure is clear in this projection. The panels and buttons below
allow one to set the signs of E values so that the Fourier Sum may be
displayed.
Panels
Reciprocal Space
This panel shows a representation of
the hk0 plane for the crystal data. The E values are shown, weighted by
their intensity.
Sum
This panel shows the accumulated sum
of terms entered so far.
Buttons
Fit
This toggle button shows the
positions of atoms in the unit cell (and their
symmetry equivalents). You can use this to check if your calculated
electron density, and hence your set of phases, is correct.
Phases
This button launchs a new window that
shows the moduli of the E values (i.e. unsigned E values).These can be
set by the choice list beside each reflection. An E-value used in the
calculation used for the Sum window is shown in bold: the value
is in normal font when it is unused. The Sum window is updated with the
Fourier summation of all the E values set at the time the last value
was set .
Restart
Clears the Sum window, but not the
values set in the Phase Window..