Covariance and correlation estimation in electron-density maps

A. Altomare, C. Cuocci, C. Giacovazzo, A. Moliterni and R. Rizzi

The covariance between two points of an electron-density map has been calculated, no matter the correlation between the model and target structures.

Keywords: electron-density maps; covariance; correlation.

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A practical study of the electron-density-map variance

C. Giacovazzo and A. Mazzone

An algorithm for the calculation of the variance of electron-density maps via fast Fourier transform is proposed. A study of the related features is described.

Keywords: variance; electron-density maps; structure analysis.

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Estimates of triplet invariants given a model structure

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

The triplet structure invariant is probabilistically estimated when a model structure with imperfect isomorphism is available.

Keywords: phasing; direct methods; triplet invariants.

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