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Bruker Axs Gmbh

John L Chambers

Joerg Kaercher

Roger David Durst

Gregory A Wachter

A method for correcting erroneous intensity measurements caused by defective pixels of the detector for a single-crystal X-ray diffraction system uses collected diffraction images and a defective pixel list to modify three-dimensional reflection profiles by replacing profile elements affected by the defective pixels with corresponding profile elements from a model profile. Reflection positions on the detector are predicted using an orientation matrix for the crystal and a three-dimensional observed profile is constructed for each reflection. A model profile is constructed using normalized profile data from multiple reflection profiles. The observed profiles are compared with the defective pixel list to determine which profile elements are affected by defective pixels, and those elements are replaced by corresponding elements from the model profile. If the replaced elements represent more than a predetermined percentage of the overall reflection intensity, the data for that reflection is omitted from an overall dataset for the crystal.

X-ray diffraction-based defective pixel correction method using an active pixel array sensor

In an X-ray detector operating in a rolling shutter read out mode, by precisely synchronizing sample rotation with the detector readout, the effects of timing skew on the image intensities and angular positions caused by the rolling shutter read out can be compensated by interpolation or calculation, thus allowing the data to be accurately integrated with conventional software. In one embodiment, the reflection intensities are interpolated with respect to time to recreate data that is synchronized to a predetermined time. This interpolated data can then be processed by any conventional integration routine to generate a 3D model of the sample. In another embodiment a 3D integration routine is specially adapted to allow the time-skewed data to be processed directly and generate a 3D model of the sample.

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Woodville, OH, United States of America

John L Chambers