Automated determination of the extinction symbol via electron diffraction data

M. Camalli, B. Carrozzini, G. L. Cascarano and C. Giacovazzo

A new statistical method for the automatic determination of the extinction symbol from electron diffraction data is described.

Keywords: electron diffraction; structure factor statistics; crystal symmetry.

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SIR2011: a new package for crystal structure determination and refinement

M. C. Burla, R. Caliandro, M. Camalli, B. Carrozzini, G. L. Cascarano, C. Giacovazzo, M. Mallamo, A. Mazzone, G. Polidori and R. Spagna

The main features of the program SIR2011 are described.

Keywords: phasing algorithms; crystal structure determination; difference Fourier synthesis.

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VLD algorithm and hybrid Fourier syntheses

M. C. Burla, B. Carrozzini, G. L. Cascarano, C. Giacovazzo and G. Polidori

The VLD (vive la difference) phasing algorithm is combined with hybrid Fourier syntheses to solve ab initio small and medium-size structures and proteins.

Keywords: VLD; hybrid Fourier synthesis; difference electron density; joint probability distribution function; density modification; phase estimation.

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