Windows <Prev Next>

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:

OpenButton Open a parameter or data file
LeftButton Shift plot range to left
RightButton Shift plot range to right
CompressButton Compress horizontal plot range
ExpandButton Expand horizontal plot range
XZoomButton Change horizontal plot range to a range selected with mouse.
AllButton Plot entire spectrum
SimulateButton Simulate spectrum
PlotStyleButton 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".
ShowPartsButton Show constituent parts of spectrum in different colours. For this to work, colours should be set for the states or other objects.
ShowSumButton Toggle display of total spectrum.
ShowFortratButton Toggle display of Fortrat Diagram and (experimental) 2D plot.
Magnify distance from bottom
Magnify distance from top
Toggle auto vertical scale
PasteOverlayButton Paste a 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 labelled 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.