In particular he is a leader in the development of the atomic pair distribution function (PDF) method applied to complex materials.
Billinge's work is built around the use of atomic pair distribution function (PDF) methods.
To study structure in these systems, difference atomic pair distribution function (dPDF) methods are often used, in which a signal from only the component of interest is extracted by subtracting scattering contributions from other components, background, and environment.
This function mathematically helps to determine the atomic pair distance between two consecutive atoms.
Here we describe a method that uses a combination of X-ray atomic pair distribution function analysis and computed tomography to overcome this limitation.
We present a method to reconstruct a three-dimensional protein structure from an atomic pair distribution function derived from the scattering intensity profile from SAXS data by flexibly fitting known x-ray structures.
This results in a more pronounced significance of the electrostatic interactions between each atomic pair leading to a more defined protein-ligand complex geometry as compared to the original method where Gasteiger calculation is used.
The atomic pair correlation functions of the first crystallization products are similar for all titanium contents.
RDFs are not corrected for atomic pair phase shift.
We have recently introduced a new algorithm to reconstruct an atomic level structure from a given atomic pair distribution function.
