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Main Window


This is the main PGOPHER window in which simulations are displayed.  The toolbar  at the top enables the simulation display to be altered, and also provides a means of changing parameters such as the spectral temperature and linewidth.  Click on an item in the picture below for more information:

Open a parameter or data file.
  Shift plot range to left.
  Shift plot range to right.
  Compress plot range.
  Expand plot range.
  Change plot range to a selected range, which can be selected by left-clicking and dragging over the required area.
  Plot entire spectrum.
  Simulate spectrum.
  Cycle through plot styles.  This allows simulations for individual molecules, manifolds or states to be shown separately, and allows simulations to be plotted "upside down".
Show constituent parts of spectrum (arising from different manifolds) in different colours.
Show total spectrum, including all manifolds.
Display Fortrat Diagram.
  Show selected region only.
  Shrink plot.
  Reset plot zoom to fill window.
Paste an experimental spectrum to overlay the simulation from the clipboard.
 
Offset Useful for lining up experimental spectrum and simulation. Moves the spectrum by the required number of units (cm-1, MHz, Kelvin or eV, dependent on which units are selected). This can also be done by clicking and dragging the simulation with the Alt key held down.
T Alters the spectral temperature.
Gau Alters the Gaussian contribution to linewidth.
Lor Alters the Lorentzian contribution to linewidth.

Fortrat Diagram


This is a plot of J against transition frequency. This can be displayed or hidden using the Show Fortrat button.  Different symmetries are labeled with different symbols - see the key at the top of the diagram. The J plotted can be upper or lower state, as set in the plot menu.

Status Bar


The first two numbers show the horizontal and vertical position of the mouse. The next two numbers are the horizontal and vertical width of any box drawn with the mouse.