Once a data file has been created or loaded (File, Open or or simply drag and
drop a .pgo file
onto the main window) simply press the red simulate button if a simulation does not appear
automatically. To change the molecular parameters use the Constants Window. The plot menu
entries, many of which are also available as toolbar buttons, can
be used to adjust the appearance of the plot. The Offset,
rotational temperature (T), and the Gaussian (Gau) and
Lorentzian (Lor) contributions to the linewidth can also be
changed using the boxes in the main window.
Note: To zoom in on a
particular region of the plot, the Plot Selection () button is normally the
most useful, with the All
button used to zoom out.
The items below are available as
buttons on the toolbar or from the plot menu:
|Left||Shift plot range to left|
|Right||Shift plot range to right|
|Compress||Compress horizontal plot range|
|Expand||Expand horizontal plot range|
|Plot Selection||Click and drag the mouse over part of the spectrum and then press this button to change the horizontal plot range to the selected range. See below to adjust the vertical scale.|
|All||Expand horizontal plot range to include all simulated lines and overlayed spectra, and reset the vertical scale. This button is particularly useful if you have "lost" your spectrum.|
|Linelist||As simulate, but a line list is printed to
the log window also.
|Next Plotstyle||Cycle through available styles of plot|
|Show Parts||Toggle display of individual spectra making up the overall spectrum|
|Show Sum||Toggle display of sum of individual spectra|
|Fortrat, Show||Toggle display of a Fortrat Diagram|
||Select upper or lower state quantum number as
vertical axis in Fortrat diagram. It is also possible to
adjust the quantum number used; the default is J, but others can be
specified by adjusting FortatQno in the Simulation object.
|2D plot, Show
|Units||Select units for horizontal axis - Possibilities are cm-1, MHz, Kelvin, eV, velocity (in units of cm-1/2), nm or Å in vacuum or air.|
|Magnify from Bottom||Reduce vertical range of
plot by a factor of two, and turn off automatic upper
limit. The lower limit of the plot is left unchanged. This
only affects the overlay scaling, unless no overlays are
displayed, in which case the scaling of the simulation is
changed. For more control, see AutoMin, AutoMax, Ymin and Ymax in the Simulation
and Plot objects.
|Magnify from Top||Reduce vertical range of plot by a factor of two, and turn off automatic lower limit. The upper limit of the plot is left unchanged. This only affects the overlay scaling, unless no overlays are displayed, in which case the scaling of the simulation is changed. For more control, see AutoMin, AutoMax, Ymin and Ymax in the Simulation and Plot objects.|
|Auto Vertical Scale
||Toggle automatic vertical scaling. This only affects the overlay scaling, unless no overlays are displayed, in which case the scaling of the simulation is changed. For more control, see AutoMin, AutoMax, Ymin and Ymax in the Simulation and Plot objects.|
|This enables the colour, the width of the lines and the line style of spectra to be changed. To alter one of these settings, select the relevant tick box, click "Apply", alter as required, and click "OK". The changes will be effected on re-simulating the spectrum. Selecting "Default" restores spectra to solid, zero width lines. (Colours of spectral lines are best changed in the constants window.)|
|Select font for plots.|
Variable Char Size
|Select (default) for
character size on printout, clipboard and export to
reflect on screen proportions. If not selected the
character size remains fixed.
Limit Line Segments
|Select (default) to limit
number of segments on a plotted curve. It can be helpful
to unselect this option if you intend to edit exported
plots. The only drawback is that the resulting plots can
be too complicated for some programs to handle.
| Zoom to Selected
|| Click and drag with the mouse to select a region to
zoom into with this button. In contrast to Plot Selection and other
buttons above, this changes both the vertical and
horizontal scale, and the scaling is reset when the plot
|Zoom Out||Shrink plot in both vertical and horizontal scale; the
opposite of the command above.
|Reset Zoom||Reset plot zoom to fill window. This happens implicitly
when the plot is updated.