Name
Abstract | ||
|---|---|---|
Protein X-ray crystallography is a method for determining the 3-dimensional structures of large biological molecules arranged in regular arrays inside a crystal. Samples of the Fourier magnitude of the molecular charge density can be measured from the amplitudes of the scattered X-rays but the determination of the Fourier phases requires chemical modification to the sample and collection of additional data. There is thus a need for a direct digital phasing method that does not require modified specimens. The diffraction from very small crystals allows for a finer sampling of the diffraction amplitude and although highly attenuated, these additional samples offer the possibility of iterative phase retrieval without the use of ancillary experimental data. Following on from a previous study [6], we examine in detail the noise characteristics of finite crystal diffraction and propose a data selection strategy to improve 3-dimensional reconstructions of the molecular charge density using iterative phase retrieval algorithms. Simulation results verify that higher noise levels can indeed be tolerated by employing such a strategy to precondition the data. |
Year | DOI | Venue |
|---|---|---|
2012 | 10.1145/2425836.2425847 | IVCNZ |
Keywords | Field | DocType |
3-dimensional reconstruction,diffraction amplitude,additional data,3-dimensional structure,data selection strategy,femtosecond x-ray nanocrystallography,fourier phase,phase retrieval,ancillary experimental data,molecular charge density,fourier magnitude,finite crystal diffraction | Femtosecond,Phase retrieval,Computational physics,Pattern recognition,Computer science,Crystal,Fourier transform,Phaser,Artificial intelligence,Amplitude,Diffraction,Charge density | Conference |
Citations | PageRank | References |
1 | 0.66 | 0 |
Authors | ||
3 | ||
Name | Order | Citations | PageRank |
|---|---|---|---|
| Joe P. J. Chen | 1 | 1 | 1.67 |
| John C. H. Spence | 2 | 1 | 0.66 |
| Rick P. Millane | 3 | 4 | 4.83 |