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We present a procedure for fitting an ellipse to powder diffraction patternsrecorded on a planar 2D detector, which uses the peak intensities as weights.This procedure works for complete and spotty diffraction rings. We outline allthe steps required: the interpolation of Cartesian pixel data into polarco-ordinates based upon an approximate ellipse centre; the identification ofpeak locations along each radial direction of a diffraction ring; and theweighted least squares algebraic fit of an ellipse to that diffraction ring.The performance of the procedure is assessed by characterising a completediffraction ring from a powder standard, and a spotty ring generated from acomplete ring of the standard. The fit of an ellipse to a spotty ring from analkane complex is also shown. Agreement in the calculated parameters for thetwo rings is good. This procedure is implemented as part of an X-ray beamenergy and 2D detector calibration routine which is currently in use atBeamline I12 (Diamond Light Source, UK).

Weighted Least Squares Fit of an Ellipse to Describe Complete or Spotty Diffraction Rings on a Planar 2D Detector