Line List Window

Note: All quantum numbers (spin, J, K...) are input and displayed at double their actual values to allow for half integral values.

This window is used when carrying out a line position fit.  It appears when right-clicking on a peak in PGOPHER, and displays the  position and intensity of the selected lines.  Typically, a selected line will consist of contributions from more than one rotational transition; these are all displayed in the line list window, with the most intense listed first.  Click on an item in the picture below for more information:


Copy selected lines to clipboard, so that the assignments can be pasted into an observations (.lin) file (see the section on line position fitting for more details).

  Copy selected lines to clipboard and delete (again, so the assignments can then be pasted into the .lin file).

  Delete selected lines not required in the assignment.

  Fit observations in this window.

Delete all lines in the line list window.

Set frequency of selected line from clipboard.  Assigning is done by right clicking and dragging over the chosen peak in the experimental spectrum (either in the program from which the experimental spectrum originated, or over the overlay spectrum in PGOPHER.  A  blue line in the experimental spectrum will appear, indicating that a measurement has been done).

Select all lines in the line list window.

Select no lines.

Close window.

Delete unassigned lines.

Show difference between first and last line selected.

Sort lines (on Frequency, Branch, Upper state, Lower state, Strength, Width or Weight).

If on, assign measured peak to selected transitions automatically  (if off, this can be done manually using Assign).

Column contents

Molecule The molecule responsible for this rotational transition - useful when different isotopic species are present.
M' Excited electronic state.
J' Upper rotational state.
S' Parity of upper state.
#' Eigenvalue number for upper state. This simply gives where the energy level lies with respect to other levels of the same J and symmetry.
M'' Ground electronic state.
J'' Lower rotational state.
S'' Parity of lower state.
#'' Eigenvalue number for lower state.
Frequency The frequency of the rotational transition - this will be given in cm-1, MHz, Kelvin and eV, depending on which units are selected in the constants window. The frequency is either that of the simulation peak (unassigned) or the experimental peak (assigned).
Weight This is blank until the peak has been assigned, upon which it is given as 1. To perform a weighted fit this value should be proportional to the standard deviation of the measurement. A negative or zero value will cause the line to be ignored in any fit.
Strength The intensity of the rotational transition.
Width The width of the transition.
deltaNdeltaJ(F')F''(J'') The branch (P,Q or R, etc) of the rotational transition, including a value for J''. The contents will depend on the type of molecule and flags set elsewhere.
Name Name of the rotational transition - this includes an .ovr filename, when the transition has been assigned.