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Wave Data phase tab

This tab displays the modulation functions used for incommensurate structures; it will not appear if the structure is commensurate (i.e. 3D). They include modulations on atom site fractions, positions and thermal motion parameters. If the structure is magnetic, atom moment modulation parameters are also shown.

What can I do here?

  1. Select an atom from the Atoms list; the pulldown shows them by name. The display will show the assigned modulations, if any.
  2. Add a modulation wave and define its type; window will be redrawn showing allowed coefficients (white background) and symmetry fixed or dependent coefficients (gray background).
  3. Select a modulation wave to refine. Holds can be used to fix individual coefficients (see Constraints).
  4. Delete a modulation wave.
  5. If a 4D map is available (Fourier or charge flip), a contour plot showing density modulation along tau for a selected 3D axis of the selected atom. The +/- keys can be used to adjust the phase offset of the map so it matches the calculated modulation curve.