The difficulty in defining a large reflection results from
the drop-off in the scattering power of an atom with
sinθ/λ:
A low angle reflection may have a numerically larger |Fhkl| than a high angle reflection,
but the high angle reflection may actually be using more of the “available” scattering power.
Consider, for example, the two points on the scattering factor diagram above. Point “a” is a low angle
reflection that doesn't “use” much of its available scattering power; “b” is a high angle reflection
that uses a large proportion of its available scattering power. In this case, reflection “a” would
have a numerically larger |Fhkl|, but reflection “b” is making more efficient use of it's
scattering power. To remove these sinθ/λ effects,
it is customary to calculate a normalized structure factor, Ehkl:
where the summation of fj2 is performed at the correct
sinθ/λ for reflection hkl.