Patent ID: 6438204
Filing Date: 2002-08-20
Classification: G01N

Abstract:
A method of using linear prediction analysis to define a first structure factor component for a first reflection from x-ray crystallography data, the x-ray crystallography data comprising a set of cognizable reflections, the method comprising:expressing the first structure factor component as a first linear equation in which the first structure factor component is equal to a sum of a first plurality of terms, each term comprising a product of (1) a structure factor component for a cognizable reflection from the x-ray crystallography data, wherein the cognizable reflection has a separation in reciprocal space from the first reflection, and (2) a linear prediction coefficient corresponding to the separation between the cognizable reflection and the first reflection; calculating values for the linear prediction coefficients; and substituting the values for the linear prediction coefficients into the first linear equation, thereby defining the first structure factor component for the first reflection.