Displayed here is the first sheet of the electron density map. This is the X = 0.000 sheet; the Y-coordinate is
vertical; the Z-coordinate is horizontal. There is a new sheet every 0.05 in X to a maximum of X = 0.500; the
Y-coordinate goes from -.026 to 0.921; the Z-coordinate goes from .051 to .717. This will be enough to show
one entire molecule. The maximum electron density on this sheet is 336 (the electron densities are scaled to
a maximum of 999) at Y = .131, Z = .461. Each of those numbers in the map is a ρ(x,y,z)
calculated by summing up a number of terms that is equal to the number of reflections in the dataset. There will be
several thousand hkl's, or more, depending mainly on the size of the unit cell. |
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