Note on linked files: Many of the linked sections below
contain links to sample data files; clicking on these links may
(depending on the browser) show you the file contents as xml; to
download the files right click on the link and select "Save
As...". Alternatively an zip file with all the samples is
available from the download section.
PGOPHER data files (.pgo files) contain all
the rotational constants and other settings required to perform
a simulation. (Note that overlaid experimental spectra are held
in separate files.) Modifications to the file (either
modifications to individual settings and parameters, or more
major changes such as addition or deletion of species,
molecules, manifolds, states, perturbations or transition
moments) can then be effected in the constants tree view. The data
file contains a hierarchy of objects,
to represent the molecules and states involved in the
transition; this works rather like a nested directory structure
containing files except that each level can only contain certain
types of object. (The top level objects must be Species or Simulation
objects for example.) Data files can also be merged to combine
spectra using copy and paste operations from the constants view
between two running copies of PGOPHER.
The .pgo files are in XML format, and can be edited with an ordinary text editor if required. (If you load a .pgo file into a web browser it will normally show the XML nicely laid out and colour coded.)
To simulate a spectrum click on the simulate button in the main window.