SPECPR Users’ Manual                                            Page 8-f50.1

F50:  Wavelength Registration                           Alias = wavreg
This function allows for calibration of the wavelengths of a
spectrum against a reference spectrum.
It was originally designed to correct the wavelengths of the Mariner
6 and 7 infrared spectrometer data sets, using a spectrum of a
carbon dioxide atmosphere.  Four files are required to run the
registration.

,in 8n
1) The original data which requires calibration in wavelength.

2) An approximate wavelength file for (1)

3) Data for a reference spectrum, which contains absorptions
   at known wavelengths.

4) The wavelength file for the reference data (3).

The output of the function is a new wavelength set for the original
data.  (1) and (2) should have the same number of channels as should
(3) and (4) however the original data and the reference do not need
to have the same number of channels.
To begin F50,from math operations, input the file ID and file number for
the original data and f50.  Then enter the wavelength file for this data.
If this wavelength file is the default wavelength file no input is
required.  You will be prompted to enter the wavelength file and data
file for the reference spectrum.  The function will then overlay a plot
of the original and reference spectra The reference spectrum will be in
the dotted line.  If the reference spectrum needs to be scaled
vertically, that can be done at this point.
It is useful to determine the number of "plot windows" or
regions required to adequately cover all the absorption features
which will be used for calibration.  Both the reference and original
absorption feature must appear in the plot window.  To determine the number
of plot windows use the standard crt plot scale changing commands (see
section 9.3).  Enter the number of plot windows and change scale to the
plot window at the smallest wavelength.
Within a plot window determine the number of absorption features that
will be used for wavelength calibration.  The program currently
allows for 20 features total to be used.  Then, using the graphics
cursor, position the cursor on the absorption in the reference
spectrum.  The program uses only the horizontal position so the
vertical position of the cursor is irrelevant.  Then position the
cursor on the corresponding absorption feature in the original
spectrum.  Repeat this process for each feature in the plot window and in
subsequent plot windows.  Be sure to always move from shorter to longer
wavelengths.
The accuracy of the wavelengths is limited by the graphics
resolution, so be sure your plot windows magnify each set of features
adequately for the wavelength precision you desire.
The program uses the wavelength value obtained from the reference
spectrum and the channel number from the original spectrum.
In this way, the channel of a particular absorption feature in the
original data is associated with a new (correct) wavelength.  A
linear interpolation in wavelength
between each absorption feature is then constructed and used to
determine the wavelengths for all channels of the original data.
If the first and last absorption feature are not the first and last
channel then
the interpolation derived for the first and
second (or last and second-to-last) absorption features
is extrapolated to the end channels.
It should be noted that an "absorption feature" can be a peak or a
spike or any feature of the original spectrum that can be associated
with a definitive wavelength.  Also these features need not
necessarily be present in the reference spectrum, if the wavelength
value is accurately known from other means. (In this case, just pick
the wavelength value off the x-axis, rather than from the reference
spectrum).
Finally, the program will re-display the reference spectrum and the
original spectrum, now using the newly derived wavelengths for the
original.  If the calibration was reasonably successful this new
wavelength file can be saved.  If not, you can begin again with
more, or different calibration points.  In practice, this seems to
work best if you exit the function and then start completely over
again.
This routine and manual page was written by Wendy Calvin.