NADA– a computer program for the simultaneous refinement of orientation matrix and modulation vector(s)

Andreas Schönleber, Mathias Meyer, Gervais Chapuis
  • Journal of Applied Crystallography, November 2001, International Union of Crystallography
  • DOI: 10.1107/s0021889801014182

Computer program for least-squares refinement of lattice parameters and modulation vector components

What is it about?

The components of the orientation matrix and the components of up to three modulation wave vectors are simultaneously refinened by the method of least squares, based on the spatial peak positions.

Why is it important?

Starting with the orientation matrix of the main reflections and a rough estimate of the modulation vector(s) components, the orientation matrix and modulation vector(s) components from the observed peak positions are refined. Standard uncertainties on all refined parameters are calculated analytically.

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http://dx.doi.org/10.1107/s0021889801014182

The following have contributed to this page: Priv.-Doz. Dr. Andreas Schönleber