We require the maximum entropy probability distribution consistent with a set of structure factor constraints and some prior probability , which may represent a molecular envelope or some other prior information. Let the desired distribution be , whose Fourier coefficients are .
If M structure factors are known both in magnitude and phase, these may be expressed as complex constraints of the following form
where , . We include the origin term with j=0, .
We must find the function consistent with the constraints (6) for which the entropy is a maximum. Using the method of Lagrange multipliers, this is equivalent to the unconstrained maximisation of the function
with respect to , .
Differentiating with respect to the returns the constraint equations (6), while differentiating with respect to yields the equations:
or:
We may solve for directly by integrating this equation over and using (constraint 0):
Then:
Equations (11), (12), and (13) are the maximum entropy equations. These must be solved for the Lagrange multipliers , and thus determine the maximum entropy distribution .