Energy Level Plot Window

This window displays energy level plots. There are many options for selecting the energy levels to plot, and the form of the plots;  click on an item in the diagram below for more information.
It is possible to compare calculated and observed energy levels, with the "observed" energy levels calculated from measured line positions and the simulated energy levels for the other state. This requires an experimental line list (a .lin file), made as described in line position fitting. To include experimental information:
  1. Open the fit file in the Log window.
  2. Select ObsUpper to plot upper state energy levels or ObsLowerButton to plot lower state energy levels.
  3. Press to display the observed energy levels.
  4. The display is normally clearer if CalcLineButton is selected for the calculated energy levels.
  5. If the mouse is over an experimental point it's source is displayed in the status bar; right click to be taken to the data file containing the point.

AllButton Adjust plot range to include all levels
ZoomButton Zoom to selected vertical range
ZoomOutButton Compress vertical scale
CalcPoints Show a point for each level
CalcLine Join levels with same symmetry with lines
CalcBoth Plot points and lines
ObsUpper Plot Upper State Observed Levels
ObsLower Plot Lower State Observed Levels
ReloadButton (Re)load observations
JoinObs Join observed point to calculated point
AnotherButton Another level Window
Label1
ActiveObject
Select which states to plot; this can be all species down to a single state.
Perturbations Include Perturbations in Displayed Matrix
Label2Ymax Maximum energy in plot
Label3Ymin Minimum energy in plot
Label4XMin Minimum J to include in plot
Label5XMax Maximum J to include in plot
Label6ReductionLabel7 Subtract number x J(J+1) from all energies plotted
JoinHighest Choose between starting join process from the highest energy or lowest energy point for a given J and symmetry.
ListButton Write the plotted energy levels to the Log window
TrackState Try to join points arising from same state
TrackQuanta Try to join points with related values of quantum numbers
Label8LabelsStyle Select where to place labels on calculated lines. Possible choices are:
  • None
  • LeftOut: At left edge of plot, right justified
  • LeftIn: At left edge of plot, left justified
  • RightIn: At right edge of plot, right justified
  • RightOut: At right edge of plot, left justified
  • Start: At start of line
Label10Symmetry Select symmetry to plot; set to "all" to not select symmetry.
Label11ErrorMultiplier When plotting observed energy levels, scale the distance from the calculated potion by this much.
Label12XQuantumNumber Select quantum number for the x axis
Label13IgnoreSpins Set how many nuclear and electron spins to include in calculation
ALabelASelect Select (or not) the A quantum number: Ω for linear molecules, |K| for symmetric tops, Ka for asymmetric tops
BLabelBSelect Select (or not) the B quantum number: F1, F2...for linear molecules, Kl for symmetric tops, Kc for asymmetric tops