New
|
Empty
Mixture |
Create a new mixture with no content. See here for an example of working this way.
|
New
|
Linear Molecule |
Create a mixture set up for a single 1Σ+ - 1Σ+
transition, with a band origin at 1000 cm-1
and upper and lower rotational constants of 1 cm-1. See Making a Linear Molecule data file for more
details.
|
| New
|
Asymmetric Top |
Create a simple asymmetric top
data file. See Making an Asymmetric Top Data
File for more details.
|
| New |
Symmetric Top |
Create a simple symmetric top
data file. See Making a Symmetric Top Data
File for more details. |
| New |
Vibrational Spectrum |
Set up a basic data file for
simulating vibrational structure. See Making
a basic data file for simulating
vibrational structure for more details.
|
New
|
Calibration, I2 |
Add overlay of the visible
absorption spectrum of I2
|
New
|
Calibration,
Ne |
Add overlay of transitions of
atomic Ne |
New
|
Calibration,
Optogalvanic Ne
|
Add overlay of transitions from
an Optogalvanic Ne spectrum |
New
|
Calibration,
Fe |
Add overlay of transitions of
atomic Fe |
Open... |
|
Open any file, including parameter (.pgo) files and
experimental data files for overlay (.dat, .ovr) |
| Save |
|
Save simulation parameters in a .pgo file. If a file name has
not
been specified then you will be prompted to browse for a suitable name. |
| Save As... |
|
As for Save, but the standard
save file dialog will appear to allow you to browse to a suitable file
name. |
| Import |
Old
Pgopher... |
Load old (version 4 and below) PGOPHER data files. (The older PGOPHER program only
handled linear molecules, and had a very different
interface.) |
Import
|
Old
D3h... |
Load old D3h data file. (The D3h program handled symmetric
tops only.) |
| Import |
CALPGM
file... |
Import molecular parameter (.par) data files for Herb
Pickett's CALPGM/SPCAT/SPFIT spectroscopy program suite (http://spec.jpl.nasa.gov/). Note
that not all files can be handled; you will see an error message if
this is the case. Some files may also require manual adjustment after
import
|
| Import |
HITRAN File... |
Import HITRAN file as external
line list. |
| Import |
Binary
File... |
Import binary overlay file |
| Import |
l matrix... |
Import normal modes from ab initio program output. See Importing l matrices for more details.
|
| Export |
Line
List... |
Export current simulation as a line list to a file. |
Export
|
Main
Plot... |
Export lower or only plot to a file. Possible formats include:
- a text file (.txt, .dat) which contains a list of points
plotted in a simple x, y
format.
- A .svg file, which can be read and edited by various
graphics programs, including Firefox for reading and Inkscape for editing.
- xfig format, associated with TEX.
See Exporting Plots for more information.
|
| Export |
Top Plot...
|
Export top plot to a file - see
above for possible formats
|
| Merge |
|
Set for subsequent file loads
(.pgo files and overlays) to merge rather than overwrite |
| File Options |
Save Positions |
If checked (not the default)
save window positions to the .pgo file when writing it.
|
| File Options |
Save Settings |
If checked (the default) save
plot settings not recorded in the mixture to the .pgo file when writing
it. |
| File Options |
Load Positions |
If checked (the default) load
window positions from a .pgo file when reading. |
| File Options |
Load Settings |
If checked (the default) load
plot settings from a .pgo file when reading. |
| Load Overlay... |
|
Load overlay from file |
| Save Overlay |
|
Save overlay(s) to file |
| Save Overlay As ... |
|
Save overlay(s) to new file |
| Print... |
|
Print current plot |
| Print Setup... |
|
Setup printer |
Recently
Used
Files
|
|
The last few files opened will
appear here; select one to reload the
file. |
| Exit |
|
Leave program |
Menus