Integration of macromolecular diffraction data

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Integration of macromolecular diffraction data.

Diffraction intensities can be evaluated by two distinct procedures: summation integration and profile fitting. Equations are derived for evaluating the intensities and their standard errors for both cases, based on Poisson statistics. These equations highlight the importance of the contribution of the X-ray background to the standard error and give an estimate of the improvement which can be a...

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The objective of any modern data-processing program is to produce from a set of diffraction images a set of indices (hkls) with their associated intensities (and estimates of their uncertainties), together with an accurate estimate of the crystal unit-cell parameters. This procedure should not only be reliable, but should involve an absolute minimum of user intervention. The process can be conv...

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ژورنال

عنوان ژورنال: Acta Crystallographica Section D Biological Crystallography

سال: 1999

ISSN: 0907-4449

DOI: 10.1107/s090744499900846x