Statistical Phasing

The phase problem in X-ray crystallography has recieved a great deal of attention from any number of gifted scientists over the last 50 years, and much progress has been made in providing partial solutions for limited cases. For example, small structures are now solved automatically and routinely by direct methods using the measured intensities only, and large structures can be solved from comparitively weak phase information by the application of density modification. Direct methods have failed to solve any but the smallest proteins, and density modification has a number of theoretical problems which will probably prevent much further improvement of the method (Cowtan & Main (1995), Acta Cryst D51).

I have become convinced that the only long term solution, both for the improvement of current methods, and for the eventual solution of the phase problem, lies in a proper statistical treatment of the phase problem. This work has been pioneered by Gerard Bricogne in his groud-breaking paper (Bricogne (1984) Acta Cryst A40, p410-445).

Unfortunately this revolutionary work has not recieved the attention it deserves, partly due to the difficulty of the subject material. I am therefore including here some of my own annotations, in the hope that others may be encouraged to explore this exciting work. Expect this document to grow...

Annotations to Bricogne (1984)


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