University at Buffalo
The State University of New York
CCR
Center for
Computational Research
X-Ray
Data
Molecular Structure
FFT
FFT-1
X-Ray Data & Corresponding Molecular
Structure
•Phases lost during the crystallographic experiment.
•Phase Problem: Determine phases of the reflections.
Underlying atomic arrangement is
related to the reflections by a 3-D Fourier transform.
Reciprocal or “Phase” Space
Real
Space