Linear least-squares adjustment of UB matrix elements and the prediction of reflection positions

Wilkinson, C.

doi:10.1107/S0021889889013026

Linear least-squares adjustment of UB matrix elements and the prediction of reflection positions

A method is presented for the linear least-squares refinement of small changes in the UB matrix elements and diffractometer offsets in single-crystal diffractometer experiments. It thus affords a rapid method for calculating the consequent changes in the positions of the centres of Bragg reflections.

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Linear least-squares adjustment of UB matrix elements and the prediction of reflection positions

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