Once three origin-defining reflections have been assigned, the Σ2
formula can be used to further expand the number of “known” phases. If phases can be assigned to a subset of the
“strongest” reflections (usually 10 - 20% of the total number of reflections), an approximate electron density
map can be calculated (this map is often called an “E-map” because it is calculated using the normalized
structure factors, Ehkl, rather than the F's). Often, this first E-map will reveal the positions of
all or most of the atoms in the structure.
As an example of a Direct Methods structure determination, the small organic molecule