High-Resolution Spectroscopic Database

**for the NASA Earth Observing System Program**

**Annual Progress Report for NASA Grant NAG5-8420**

28 February 2002

Dr. Laurence S. Rothman

Principal Investigator

Harvard-Smithsonian Center for Astrophysics

Atomic and Molecular Physics Division

Mail Stop 50, 60 Garden Street

Cambridge MA 02138-1516

**1. Introduction**

The purpose of this project is to develop and enhance the HITRAN
molecular spectroscopic database and associated software to support the
observational programs of the Earth Observing System (**EOS**). In
particular, the focus is on the EOS projects: the Atmospheric Infrared
Sounder (**AIRS**), the High-Resolution Dynamics Limb Sounder
(**HIRDLS**), Measurements of Pollution in the Troposphere (**MOPITT**),
the Tropospheric Emission Spectrometer (**TES**), and the Stratospheric
Aerosol and Gas Experiment (**SAGE** **III**). The data requirements of
these programs in terms of spectroscopy are varied, but usually call for
additional spectral parameters or improvements to existing molecular
bands. In addition, cross-section data for heavier molecular species
must be expanded and made amenable to modeling in remote sensing. The
effort in the project also includes developing software and distribution
to make access, manipulation, and use of HITRAN functional to the EOS
program.

**2. Data Acquisition and Data Improvement**

During this performance period, a major focus has been towards the
construction of a new archival edition of HITRAN. Due to the expanded
format that will be implemented in the next edition, much more
management and requirements from contributors is in effect. The current
format for the HITRAN database^1^ is a 100-character record per
transition. This format has been in place since 1986, but it is not
quite adequate for the increased demands of remote-sensing algorithms
and by the increased accuracy and knowledge of spectroscopic parameters.
The new parameters for each line include: the Einstein-A coefficient,
the error and references for self-broadened, temperature dependence of
halfwidth, and pressure shift parameters. There will also be a flag for
treatment of lines with line-coupling parameters and the statistical
weights of the upper and lower states of a transition. Table 1
illustrates the new format. Besides attempting to satisfy remote-sensing
needs that were not addressed before, such as line-coupling effects, the
added documentation and referencing makes maintainability substantially
improved. It does require, however, more attention on the part of
contributors. The expanded error code indexing is shown in Table 2. The
error codes have often not been supplied by contributors in the past;
with the referencing of parameters the user should in principal be able
to ascertain the quality of the data, albeit with more effort. We have
implemented a user-friendly method of accessing the abstracts of most
sources in the software to assist serious users.

+---------------------+-------+----------+-----+----------------------+
| ## Parameter        | **    | # Type   |     | ## Comment           |
|                     | Field |          |     |                      |
|                     | Len   |          |     |                      |
|                     | gth** |          |     |                      |
+---------------------+-------+----------+-----+----------------------+
| molecule number     | 2     | Integer  | # H |                      |
|                     |       |          | ITR |                      |
|                     |       |          | AN  |                      |
|                     |       |          | chr |                      |
|                     |       |          | ono |                      |
|                     |       |          | log |                      |
|                     |       |          | ica |                      |
|                     |       |          | l a |                      |
|                     |       |          | ssi |                      |
|                     |       |          | gnm |                      |
|                     |       |          | ent |                      |
|                     |       |          |  {# |                      |
|                     |       |          | hit |                      |
|                     |       |          | ran |                      |
|                     |       |          | -ch |                      |
|                     |       |          | ron |                      |
|                     |       |          | olo |                      |
|                     |       |          | gic |                      |
|                     |       |          | al- |                      |
|                     |       |          | ass |                      |
|                     |       |          | ign |                      |
|                     |       |          | men |                      |
|                     |       |          | t . |                      |
|                     |       |          | tex |                      |
|                     |       |          | t-i |                      |
|                     |       |          | nde |                      |
|                     |       |          | nt} |                      |
+---------------------+-------+----------+-----+----------------------+
| isotopomer number   | 1     | Integer  | Or  |                      |
|                     |       |          | der |                      |
|                     |       |          | ing |                      |
|                     |       |          | by  |                      |
|                     |       |          | te  |                      |
|                     |       |          | rre |                      |
|                     |       |          | str |                      |
|                     |       |          | ial |                      |
|                     |       |          | abu |                      |
|                     |       |          | nda |                      |
|                     |       |          | nce |                      |
+---------------------+-------+----------+-----+----------------------+
| Frequency (cm^-1^)  | 12    | Real     | Vac |                      |
|                     |       |          | uum |                      |
|                     |       |          | w   |                      |
|                     |       |          | ave |                      |
|                     |       |          | num |                      |
|                     |       |          | ber |                      |
+---------------------+-------+----------+-----+----------------------+
| Intensity           | 10    | Real     | cm^ |                      |
|                     |       |          | -1^ |                      |
|                     |       |          | /(m |                      |
|                     |       |          | ole |                      |
|                     |       |          | cul |                      |
|                     |       |          | e∙c |                      |
|                     |       |          | m^- |                      |
|                     |       |          | 2^) |                      |
|                     |       |          | at  |                      |
|                     |       |          | 2   |                      |
|                     |       |          | 96K |                      |
+---------------------+-------+----------+-----+----------------------+
| Einstein-*A*        | 10    | Real     | R   |                      |
| coefficient         |       |          | evi |                      |
|                     |       |          | sed |                      |
|                     |       |          | par |                      |
|                     |       |          | ame |                      |
|                     |       |          | ter |                      |
|                     |       |          | af  |                      |
|                     |       |          | ter |                      |
|                     |       |          | 2   |                      |
|                     |       |          | 000 |                      |
|                     |       |          | e   |                      |
|                     |       |          | dit |                      |
|                     |       |          | ion |                      |
+---------------------+-------+----------+-----+----------------------+
| *γ*-air (Lorentzian | 5     | Real     | H   |                      |
| halfwidth)          |       |          | WHM |                      |
|                     |       |          | at  |                      |
|                     |       |          | 2   |                      |
|                     |       |          | 96K |                      |
+---------------------+-------+----------+-----+----------------------+
| *γ*-self            | 5     | Real     | H   |                      |
|                     |       |          | WHM |                      |
|                     |       |          | at  |                      |
|                     |       |          | 2   |                      |
|                     |       |          | 96K |                      |
+---------------------+-------+----------+-----+----------------------+
| *E*″ (cm^-1^)       | 10    | Real     | Lo  |                      |
|                     |       |          | wer |                      |
|                     |       |          | -st |                      |
|                     |       |          | ate |                      |
|                     |       |          | ene |                      |
|                     |       |          | rgy |                      |
+---------------------+-------+----------+-----+----------------------+
| *η*                 | 4     | Real     | T   |                      |
|                     |       |          | emp |                      |
|                     |       |          | era |                      |
|                     |       |          | tur |                      |
|                     |       |          | e-d |                      |
|                     |       |          | epe |                      |
|                     |       |          | nde |                      |
|                     |       |          | nce |                      |
|                     |       |          | co  |                      |
|                     |       |          | eff |                      |
|                     |       |          | ici |                      |
|                     |       |          | ent |                      |
|                     |       |          | of  |                      |
|                     |       |          | γ-  |                      |
|                     |       |          | air |                      |
+---------------------+-------+----------+-----+----------------------+
| *δ* (cm^-1^)        | 8     | Real     | Pr  |                      |
|                     |       |          | ess |                      |
|                     |       |          | ure |                      |
|                     |       |          | sh  |                      |
|                     |       |          | ift |                      |
|                     |       |          | in  |                      |
|                     |       |          | air |                      |
+---------------------+-------+----------+-----+----------------------+
| v′                  | 15    | Holerith | Up  |                      |
|                     |       |          | per |                      |
|                     |       |          | -st |                      |
|                     |       |          | ate |                      |
|                     |       |          | "g  |                      |
|                     |       |          | lob |                      |
|                     |       |          | al" |                      |
|                     |       |          | qua |                      |
|                     |       |          | nta |                      |
+---------------------+-------+----------+-----+----------------------+
| v″                  | 15    | Holerith | Lo  |                      |
|                     |       |          | wer |                      |
|                     |       |          | -st |                      |
|                     |       |          | ate |                      |
|                     |       |          | "g  |                      |
|                     |       |          | lob |                      |
|                     |       |          | al" |                      |
|                     |       |          | qua |                      |
|                     |       |          | nta |                      |
+---------------------+-------+----------+-----+----------------------+
| *q*′                | 15    | Holerith | Up  |                      |
|                     |       |          | per |                      |
|                     |       |          | -st |                      |
|                     |       |          | ate |                      |
|                     |       |          | "   |                      |
|                     |       |          | loc |                      |
|                     |       |          | al" |                      |
|                     |       |          | qua |                      |
|                     |       |          | nta |                      |
+---------------------+-------+----------+-----+----------------------+
| *Q*″                | 15    | Holerith | Lo  |                      |
|                     |       |          | wer |                      |
|                     |       |          | -st |                      |
|                     |       |          | ate |                      |
|                     |       |          | "   |                      |
|                     |       |          | loc |                      |
|                     |       |          | al" |                      |
|                     |       |          | qua |                      |
|                     |       |          | nta |                      |
+---------------------+-------+----------+-----+----------------------+
| Error indices       | 6     | Integer  | Ac  |                      |
|                     |       |          | cur |                      |
|                     |       |          | acy |                      |
|                     |       |          | of  |                      |
|                     |       |          | 6   |                      |
|                     |       |          | cr  |                      |
|                     |       |          | iti |                      |
|                     |       |          | cal |                      |
|                     |       |          | p   |                      |
|                     |       |          | ara |                      |
|                     |       |          | met |                      |
|                     |       |          | ers |                      |
+---------------------+-------+----------+-----+----------------------+
| Reference indices   | 12    | Integer  | R   |                      |
|                     |       |          | efe |                      |
|                     |       |          | ren |                      |
|                     |       |          | ces |                      |
|                     |       |          | for |                      |
|                     |       |          | 6   |                      |
|                     |       |          | cr  |                      |
|                     |       |          | iti |                      |
|                     |       |          | cal |                      |
|                     |       |          | p   |                      |
|                     |       |          | ara |                      |
|                     |       |          | met |                      |
|                     |       |          | ers |                      |
+---------------------+-------+----------+-----+----------------------+
| Flag for line       | 1     | Holerith | P   |                      |
| coupling            |       |          | oin |                      |
|                     |       |          | ter |                      |
|                     |       |          | to  |                      |
|                     |       |          | l   |                      |
|                     |       |          | ine |                      |
|                     |       |          | -co |                      |
|                     |       |          | upl |                      |
|                     |       |          | ing |                      |
|                     |       |          | alg |                      |
|                     |       |          | ori |                      |
|                     |       |          | thm |                      |
+---------------------+-------+----------+-----+----------------------+
| *g*′                | 7     | Real     | Up  |                      |
|                     |       |          | per |                      |
|                     |       |          | -le |                      |
|                     |       |          | vel |                      |
|                     |       |          | st  |                      |
|                     |       |          | ati |                      |
|                     |       |          | sti |                      |
|                     |       |          | cal |                      |
|                     |       |          | wei |                      |
|                     |       |          | ght |                      |
+---------------------+-------+----------+-----+----------------------+
| *g*″                | 7     | Real     | Lo  |                      |
|                     |       |          | wer |                      |
|                     |       |          | -le |                      |
|                     |       |          | vel |                      |
|                     |       |          | st  |                      |
|                     |       |          | ati |                      |
|                     |       |          | sti |                      |
|                     |       |          | cal |                      |
|                     |       |          | wei |                      |
|                     |       |          | ght |                      |
+---------------------+-------+----------+-----+----------------------+

Table 1. Format for HITRAN Line Transition

  -------------- -------------------------- ------------------------- -----------------------------
  **Wavenumber                              **Intensity, Halfwidths,  
  (cm^-1^)**                                Temperature-dependence,   
                                            and Pressure-shift**      

  **Code**       **Error Range**            **Code**                  **Error Range**

  0              ≥1. or Unreported          0                         Unreported or Unavailable

  1              ≥0.1 and \<1.              1                         Default or Constant

  2              ≥0.01 and \<0.1            2                         Average or Estimate

  3              ≥0.001 and \<0.01          3                         ≥20%

  4              ≥0.0001 and \<0.001        4                         ≥10% and \<20%

  5              ≥0.00001 and \<0.0001      5                         ≥5% and \<10%

  6              \<0.00001                  6                         ≥2% and \<5%

                                            7                         ≥1% and \<2%

                                            8                         \<1%
  -------------- -------------------------- ------------------------- -----------------------------

Table 2. Error Code Correspondence for HITRAN

*2.1 Line-by-line Parameters*

For the line-by-line spectroscopic parameters, the most prominent
improvements since the last report have been to methane, water vapor,
hydroxyl radical, acetylene, nitric oxide, and nitrogen dioxide. These
updates have been placed in the sub-page on UPDATES in the HITRAN
web-site. They have been evaluated and verified, but it has been decided
to keep the archival edition of HITRAN in the ftp-site unchanged until a
new edition is created. Nonetheless, the updates are given as total
replacements for the molecule in question in order to simplify the
process for users.

A vastly improved line list for methane,^2,3^ which will have an impact
on the **MOPITT** and many other programs of EOS, was made available in
the regular HITRAN web-site. This effort was accomplished in
collaboration with L.R. Brown of JPL. The line list represents a
fourfold increase in the number of transitions for methane compared to
the last edition of HITRAN. The differences are in the 850 to 4810
cm^-1^ region. Dr. Brown's study includes the three isotopomers in
HITRAN (^12^CH~4~, ^13^CH~4~, and ^12^CH~3~D). The data are far more
complete than many species in HITRAN in that they have been prepared
with the new format in mind. Inconsistencies had existed in the quantum
notation of some bands in the previous HITRAN editions, since
contributions from different groups were adhering to different
conventions; this has been eliminated and standardized. Having
consistent nomenclature is quite important for later processing, such as
bringing in observed halfwidths or especially the post calculation of
the Einstein-A coefficients, not to mention maintaining the database.

The fix for H~2~O parameters in the 6-µm region was placed in the HITRAN
web-site. The current HITRAN edition^1^ lacked some bands in this region
that existed previously. The error had been caused by a misunderstanding
of the files sent by JPL for the last update.^4^ Other glitches were
fixed in the visible region; these problems pertained to mapping the
limited set of references to the larger set for the new format. A study
and collaboration is also underway with high-resolution water-vapor
parameters generated by the group of Michel Carleer in Belgium. There
are numerous sets of independent measurements from different
laboratories that are being assessed in the short wavelength region.
This region is particularly important for resolving some of the
discrepancies in atmospheric radiative budget modeling, for example, as
well as serving specifically for **SAGE III.**

A whole new linelist^5^ in the UV for the hydroxyl radical (OH) has been
acquired for HITRAN. This system, the *A*^2^Σ^+^ C *X*^2^Π electronic
bands, were provided by A. Goldman of the University of Denver.

An extensive set of parameters^6^ for bands of acetylene, C~2~H~2~, in
the 5-µm region has been posted on the web-site. This linelist has 18
new upper-state levels that are not presently indexed in the
\'86-format. The far more extensive set of energy levels for this
molecule required the development of a more concise labeling with the
constraints of ASCII in mind. Table 3 indicates the scope of this
correspondence. The effort for acetylene was based on a joint
collaboration of the PI with the group at the University of Paris and
the group at the University of Reims.^6^ Updating the halfwidths and
pressure shift parameters of acetylene throughout the database was also
undertaken.^6,7^

The collisional broadening parameters and pressure-shift parameters for
nitric oxide (NO) have been updated and made consistent throughout the
database. There had existed different sets, sometimes poor, between
bands whose line positions and intensities were derived from different
laboratories. Algorithms developed at the University of Paris assisted
in this endeavor. We have found that developing polynomial expressions
for the broadening parameters as a function of rotational level is an
excellent method to provide maintainable and consistent values for many
molecules in the database, and it is hoped that this method will be
adopted. At high values of the rotational quanta, an asymptotic value
for the broadening parameter should be used, and for low values of
rotation, the detailed structure that might not be well represented by a
low-order polynomial can be constructed in the algorithm.

#  {#section .text-indent}

+-------------+-----------------------+--------------+----------------+
| **Vi        | ##### HITRAN          | **V          | **HITRAN       |
| brational** |                       | ibrational** | notation**     |
|             | **notation**          |              |                |
| **level**   |                       | **level**    | *              |
|             | **v~1~                |              | *v~1~v~2~v~3~v |
|             | v~2~v~3~v~4~v~5~l±r** |              | ~4~v~5~*l*±r** |
+-------------+-----------------------+--------------+----------------+
| # G         | > 000000+             | >            | > 000310-      |
| round state |                       | (3ν~4~+ν~5~) |                |
|             |                       | > ^0^~−~     |                |
+-------------+-----------------------+--------------+----------------+
| > ν~5~^1^   | > 000011              | > (3ν~4      | > 000312 2     |
|             |                       | ~+ν~5~)^2^II |                |
+-------------+-----------------------+--------------+----------------+
| > ν~3~      | > 001000+             | > (3ν~       | > 000312 1     |
|             |                       | 4~+ν~5~)^2^I |                |
+-------------+-----------------------+--------------+----------------+
| > ν~2~+     | > 010110+             | >            | > 010011       |
| (ν~4~+ν~5~) |                       | ν~2~+ν~5~^1^ |                |
| > ^0^~+~    |                       |              |                |
+-------------+-----------------------+--------------+----------------+
| > ν~4~^1^   | > 000101              | >            | > 000130+      |
|             |                       | (ν~4~+3ν~5~) |                |
|             |                       | > ^0^~+~     |                |
+-------------+-----------------------+--------------+----------------+
| >           | > 000110+             | >            | > 000130-      |
| (ν~4~+ν~5~) |                       | (ν~4~+3ν~5~) |                |
| > ^0^~+~    |                       | > ^0^~−~     |                |
+-------------+-----------------------+--------------+----------------+
| >           | > 000110-             | > (ν~4~      | > 000132 2     |
| (ν~4~+ν~5~) |                       | +3ν~5~)^2^II |                |
| > ^0^~−~    |                       |              |                |
+-------------+-----------------------+--------------+----------------+
| > (ν~       | > 000112              | > (ν~4       | > 000132 1     |
| 4~+ν~5~)^2^ |                       | ~+3ν~5~)^2^I |                |
+-------------+-----------------------+--------------+----------------+
| > 2ν~5~^0^  | > 000020+             | >            | > 010101       |
|             |                       | ν~2~+ν~4~^1^ |                |
+-------------+-----------------------+--------------+----------------+
| > 2ν~5~^2^  | > 000022              | > (          | > 000220+2     |
|             |                       | 2ν~4~+2ν~5~) |                |
|             |                       | > ^0^~+~II   |                |
+-------------+-----------------------+--------------+----------------+
| > 3ν~5~^1^  | > 000031              | > (          | > 000220-      |
|             |                       | 2ν~4~+2ν~5~) |                |
|             |                       | > ^0^~−~     |                |
+-------------+-----------------------+--------------+----------------+
| > (2ν~4~    | > 000211 2            | > (2ν~4~     | > 000222 2     |
| +ν~5~)^1^II |                       | +2ν~5~)^2^II |                |
+-------------+-----------------------+--------------+----------------+
| > (2ν~4     | > 000211 1            | > 4ν~5~^0^   | > 000040+      |
| ~+ν~5~)^1^I |                       |              |                |
+-------------+-----------------------+--------------+----------------+
| > (3ν~4~+   | > 000310+             | > 4ν~5~^2^   | > 000042       |
| ν~5~)^0^~+~ |                       |              |                |
+-------------+-----------------------+--------------+----------------+

Table 3. Vibrational quantum-level designation for acetylene in new
HITRAN

A significant update of the nitrogen dioxide (NO~2~) parameters was
accomplished in this period. The update employs the work of the
University of Paris for line positions and intensities in the 3-µm
region.^8^ There has also been a thorough update of the air-broadened
halfwidths, the self-broadened halfwidths, and the
temperature-dependence of the air-broadened halfwidth. The latter was
accomplished uniting the work of the Paris group with the groups at NASA
Langley Research Center and at JPL.^9^ Numerous bookkeeping details had
to be checked and corrected in creating the overall file, which is now
available in the HITRAN web-site and will be part of the next edition of
HITRAN.

We discuss later in this report some of the line-by-line data that are
close to being ready for inclusion into HITRAN.

*2.2 Cross-sections*

It should first be remarked that the improved header format for the
cross-sections has already been implemented. The cross-section data
compliment the HITRAN line-by-line data. They have been established to
cover molecules whose spectra are so dense as to make a line-by-line
transition representation either extremely difficult or impractical from
the user=s standpoint. Table 4 presents the list of species and spectral
coverage for the infrared bands in HITRAN (some additional
semi-redundant, but independent data are preserved in a sub-directory).
There are also similar sets for the UV region, shown in Table 5. A
discussion of the cross-sections was given in the previous annual report
for this grant.

Two new data sets have recently been obtained. They are for chlorine
nitrate (ClONO~2~) and dinitrogen pentoxide (N~2~O~5~). The measurements
were made at the high-resolution laboratory at the DLR in Germany by M.
Birk and G. Wagner and reported on in the last HITRAN Conference.^10^
The manipulation and casting into HITRAN form was performed by J.
Schroeder and K. Tang of the Ontar Corp. The files for N~2~O~5~
represent a significant improvement to the HITRAN compilation and will
totally replace the older data which had a very poor resolution grid.
These data cover the prominent band regions of 699 to 799 and 1199 to
1279 cm^-1^. For chlorine nitrate, we split the DLR data into 2 spectral
regions (740-840 and 1250-1330 cm^-1^). The bands in the spectral range
1680 to 1790 cm^-1^ from the former Rutherford Appleton Lab data^11^
will be retained. The size of the cross-section files has grown rapidly,
even with the efficient method used to store the data in HITRAN.

*2.3 Aerosol Indices of Refraction*

A very extensive tabulation for various aerosol indices of refraction
has been compiled and submitted to the HITRAN project by S. Massie of
the National Center for Atmospheric Research. The sets were summarized
in a previous report, and a more complete table is given in both the
HITRAN web-site and ftp-site.

Table 4. Summary of molecules represented by IR Cross-section data in
HITRAN

<table style="width:100%;">
<colgroup>
<col style="width: 0%" />
<col style="width: 16%" />
<col style="width: 9%" />
<col style="width: 20%" />
<col style="width: 6%" />
<col style="width: 8%" />
<col style="width: 14%" />
<col style="width: 2%" />
<col style="width: 2%" />
<col style="width: 8%" />
<col style="width: 7%" />
<col style="width: 2%" />
<col style="width: 0%" />
<col style="width: 0%" />
</colgroup>
<tbody>
<tr class="odd">
<td></td>
<td colspan="2">Molecule</td>
<td>Common Name</td>
<td colspan="2">Temperature Range (K)</td>
<td colspan="3">Pressure Range (Torr)</td>
<td>Number of P,T sets</td>
<td colspan="4">Spectral Coverage (cm<sup>-1</sup>)</td>
</tr>
<tr class="even">
<td></td>
<td colspan="2">SF<sub>6</sub></td>
<td><blockquote>
<p>Sulfur hexafluoride</p>
</blockquote></td>
<td colspan="2">180-295</td>
<td>20-760</td>
<td colspan="3">32</td>
<td colspan="2">925-955</td>
<td></td>
<td></td>
</tr>
<tr class="odd">
<td></td>
<td colspan="2" rowspan="3">ClONO<sub>2</sub></td>
<td rowspan="3"><blockquote>
<p>Chlorine nitrate</p>
</blockquote></td>
<td colspan="2">213-296</td>
<td>0</td>
<td colspan="3">2</td>
<td colspan="2">740–840</td>
<td></td>
<td></td>
</tr>
<tr class="even">
<td></td>
<td colspan="2">213-296</td>
<td>0</td>
<td colspan="3">2</td>
<td colspan="2">1240-1340</td>
<td></td>
<td></td>
</tr>
<tr class="odd">
<td></td>
<td colspan="2">213-296</td>
<td>0</td>
<td colspan="3">2</td>
<td colspan="2">1680-1790</td>
<td></td>
<td></td>
</tr>
<tr class="even">
<td></td>
<td colspan="2">CCl<sub>4</sub></td>
<td><blockquote>
<p>Carbon tetrachloride</p>
</blockquote></td>
<td colspan="2">208-297</td>
<td>8-760</td>
<td colspan="3">32</td>
<td colspan="2">750-812</td>
<td></td>
<td></td>
</tr>
<tr class="odd">
<td></td>
<td colspan="2" rowspan="4">N<sub>2</sub>O<sub>5</sub></td>
<td rowspan="4"><blockquote>
<p>Dinitrogen pentoxide</p>
</blockquote></td>
<td colspan="2">233-293</td>
<td>0</td>
<td colspan="3">4</td>
<td colspan="2">555-600</td>
<td></td>
<td></td>
</tr>
<tr class="even">
<td></td>
<td colspan="2">233-293</td>
<td>0</td>
<td colspan="3">4</td>
<td colspan="2">720-765</td>
<td></td>
<td></td>
</tr>
<tr class="odd">
<td></td>
<td colspan="2">233-293</td>
<td>0</td>
<td colspan="3">4</td>
<td colspan="2">1210-1275</td>
<td></td>
<td></td>
</tr>
<tr class="even">
<td></td>
<td colspan="2">233-293</td>
<td>0</td>
<td colspan="3">4</td>
<td colspan="2">1680-1765</td>
<td></td>
<td></td>
</tr>
<tr class="odd">
<td></td>
<td colspan="2">HNO<sub>4</sub></td>
<td></td>
<td colspan="2">268</td>
<td>0.7</td>
<td colspan="3">1</td>
<td colspan="2">770-830</td>
<td></td>
<td></td>
</tr>
<tr class="even">
<td></td>
<td colspan="2" rowspan="2">CCl<sub>3</sub>F</td>
<td rowspan="2"><blockquote>
<p>CFC-11</p>
</blockquote></td>
<td colspan="2">201-296</td>
<td>40-760</td>
<td colspan="3">55</td>
<td colspan="2">810-880</td>
<td></td>
<td></td>
</tr>
<tr class="odd">
<td></td>
<td colspan="2">201-296</td>
<td>40-760</td>
<td colspan="3">55</td>
<td colspan="2">1050-1120</td>
<td></td>
<td></td>
</tr>
<tr class="even">
<td></td>
<td colspan="2" rowspan="2">CCl<sub>2</sub>F<sub>2</sub></td>
<td rowspan="2"><blockquote>
<p>CFC-12</p>
</blockquote></td>
<td colspan="2">190-296</td>
<td>7.5-760</td>
<td colspan="3">52</td>
<td colspan="2">850-950</td>
<td></td>
<td></td>
</tr>
<tr class="odd">
<td></td>
<td colspan="2">190-296</td>
<td>7.5-760</td>
<td colspan="3">52</td>
<td colspan="2">1050-1200</td>
<td></td>
<td></td>
</tr>
<tr class="even">
<td></td>
<td colspan="2" rowspan="3">CClF<sub>3</sub></td>
<td rowspan="3"><blockquote>
<p>CFC-13</p>
</blockquote></td>
<td colspan="2">203-293</td>
<td>0</td>
<td colspan="3">6</td>
<td colspan="2">765-805</td>
<td></td>
<td></td>
</tr>
<tr class="odd">
<td></td>
<td colspan="2">203-293</td>
<td>0</td>
<td colspan="3">6</td>
<td colspan="2">1065-1139</td>
<td></td>
<td></td>
</tr>
<tr class="even">
<td></td>
<td colspan="2">203-293</td>
<td>0</td>
<td colspan="3">6</td>
<td colspan="2">1170-1235</td>
<td></td>
<td></td>
</tr>
<tr class="odd">
<td></td>
<td colspan="2">CF<sub>4</sub></td>
<td><blockquote>
<p>CFC-14</p>
</blockquote></td>
<td colspan="2">180-296</td>
<td>7.5-761</td>
<td colspan="3">55</td>
<td colspan="2">1250-1290</td>
<td></td>
<td></td>
</tr>
<tr class="even">
<td></td>
<td colspan="2"
rowspan="2">C<sub>2</sub>Cl<sub>2</sub>F<sub>3</sub></td>
<td rowspan="2"><blockquote>
<p>CFC-113</p>
</blockquote></td>
<td colspan="2">203-293</td>
<td>0</td>
<td colspan="3">6</td>
<td colspan="2">780-995</td>
<td></td>
<td></td>
</tr>
<tr class="odd">
<td></td>
<td colspan="2">203-293</td>
<td>0</td>
<td colspan="3">6</td>
<td colspan="2">1005-1232</td>
<td></td>
<td></td>
</tr>
<tr class="even">
<td></td>
<td colspan="2"
rowspan="3">C<sub>2</sub>Cl<sub>2</sub>F<sub>4</sub></td>
<td rowspan="3"><blockquote>
<p>CFC-114</p>
</blockquote></td>
<td colspan="2">203-293</td>
<td>0</td>
<td colspan="3">6</td>
<td colspan="2">815-860</td>
<td></td>
<td></td>
</tr>
<tr class="odd">
<td></td>
<td colspan="2">203-293</td>
<td>0</td>
<td colspan="3">6</td>
<td colspan="2">870-960</td>
<td></td>
<td></td>
</tr>
<tr class="even">
<td></td>
<td colspan="2">203-293</td>
<td>0</td>
<td colspan="3">6</td>
<td colspan="2">1030-1067</td>
<td></td>
<td></td>
</tr>
<tr class="odd">
<td></td>
<td colspan="2" rowspan="3">C<sub>2</sub>ClF<sub>5</sub></td>
<td rowspan="3"><blockquote>
<p>CFC-115</p>
</blockquote></td>
<td colspan="2">203-293</td>
<td>0</td>
<td colspan="3">6</td>
<td colspan="2">955-1015</td>
<td></td>
<td></td>
</tr>
<tr class="even">
<td></td>
<td colspan="2">203-293</td>
<td>0</td>
<td colspan="3">6</td>
<td colspan="2">1110-1145</td>
<td></td>
<td></td>
</tr>
<tr class="odd">
<td></td>
<td colspan="2">203-293</td>
<td>0</td>
<td colspan="3">6</td>
<td colspan="2">1167-1260</td>
<td></td>
<td></td>
</tr>
<tr class="even">
<td></td>
<td colspan="2">CHCl<sub>2</sub>F</td>
<td><blockquote>
<p>HCFC-21</p>
</blockquote></td>
<td colspan="2">296</td>
<td>1</td>
<td colspan="3">1</td>
<td colspan="2">785-840</td>
<td></td>
<td></td>
</tr>
<tr class="odd">
<td></td>
<td colspan="2" rowspan="3">CHClF<sub>2</sub></td>
<td rowspan="3"><blockquote>
<p>HCFC-22</p>
</blockquote></td>
<td colspan="2">181-297</td>
<td>0-764</td>
<td colspan="3">29</td>
<td colspan="2">760-860</td>
<td></td>
<td></td>
</tr>
<tr class="even">
<td></td>
<td colspan="2">181-296</td>
<td>0-761</td>
<td colspan="3">34</td>
<td colspan="2">1070-1195</td>
<td></td>
<td></td>
</tr>
<tr class="odd">
<td></td>
<td colspan="2">253-287</td>
<td>0</td>
<td colspan="3">3</td>
<td colspan="2">1274-1380</td>
<td></td>
<td></td>
</tr>
<tr class="even">
<td></td>
<td colspan="2" rowspan="2">CHCl<sub>2</sub>CF<sub>3</sub></td>
<td rowspan="2"><blockquote>
<p>HCFC-123</p>
</blockquote></td>
<td colspan="2">253-287</td>
<td>0</td>
<td colspan="3">3</td>
<td colspan="2">740-900</td>
<td></td>
<td></td>
</tr>
<tr class="odd">
<td></td>
<td colspan="2">253-287</td>
<td>0</td>
<td colspan="3">3</td>
<td colspan="2">1079-1450</td>
<td></td>
<td></td>
</tr>
<tr class="even">
<td></td>
<td colspan="2">CHClFCF<sub>3</sub></td>
<td><blockquote>
<p>HCFC-124</p>
</blockquote></td>
<td colspan="2">287</td>
<td>0</td>
<td colspan="3">1</td>
<td colspan="2">675-1430</td>
<td></td>
<td></td>
</tr>
<tr class="odd">
<td></td>
<td colspan="2">CH<sub>3</sub>CCl<sub>2</sub>F</td>
<td><blockquote>
<p>HCFC-141b</p>
</blockquote></td>
<td colspan="2">253-287</td>
<td>0</td>
<td colspan="3">3</td>
<td colspan="2">700-1500</td>
<td></td>
<td></td>
</tr>
<tr class="even">
<td></td>
<td colspan="2">CH<sub>3</sub>CClF<sub>2</sub></td>
<td><blockquote>
<p>HCFC-142b</p>
</blockquote></td>
<td colspan="2">253-287</td>
<td>0</td>
<td colspan="3">3</td>
<td colspan="2">650-1475</td>
<td></td>
<td></td>
</tr>
<tr class="odd">
<td></td>
<td colspan="2">CHCl<sub>2</sub>CF<sub>2</sub>CF<sub>3</sub></td>
<td><blockquote>
<p>HCFC-225ca</p>
</blockquote></td>
<td colspan="2">253-287</td>
<td>0</td>
<td colspan="3">3</td>
<td colspan="2">695-1420</td>
<td></td>
<td></td>
</tr>
<tr class="even">
<td></td>
<td colspan="2">CClF<sub>2</sub>CF<sub>2</sub>CHClF</td>
<td><blockquote>
<p>HCFC-225cb</p>
</blockquote></td>
<td colspan="2">253-287</td>
<td>0</td>
<td colspan="3">3</td>
<td colspan="2">600-1500</td>
<td></td>
<td></td>
</tr>
<tr class="odd">
<td></td>
<td colspan="2" rowspan="2">CH<sub>2</sub>F<sub>2</sub></td>
<td rowspan="2"><blockquote>
<p>HFC-32</p>
</blockquote></td>
<td colspan="2">203-297</td>
<td>0-750</td>
<td colspan="3">17</td>
<td colspan="2">995-1236</td>
<td></td>
<td></td>
</tr>
<tr class="even">
<td></td>
<td colspan="2">203-297</td>
<td>0-750</td>
<td colspan="3">17</td>
<td colspan="2">1385-1475</td>
<td></td>
<td></td>
</tr>
<tr class="odd">
<td></td>
<td colspan="2">CHF<sub>2</sub>CF<sub>3</sub></td>
<td><blockquote>
<p>HFC-125</p>
</blockquote></td>
<td colspan="2">287</td>
<td>0</td>
<td colspan="3">1</td>
<td colspan="2">700-1500</td>
<td></td>
<td></td>
</tr>
<tr class="even">
<td></td>
<td colspan="2">CHF<sub>2</sub>CHF<sub>2</sub></td>
<td><blockquote>
<p>HFC-134</p>
</blockquote></td>
<td colspan="2">203-297</td>
<td>0-750</td>
<td colspan="3">9</td>
<td colspan="2">600-1700</td>
<td></td>
<td></td>
</tr>
<tr class="odd">
<td></td>
<td colspan="2">CFH<sub>2</sub>CF<sub>3</sub></td>
<td><blockquote>
<p>HFC-134a</p>
</blockquote></td>
<td colspan="2">190-296</td>
<td>20-760</td>
<td colspan="3">69</td>
<td colspan="2">1035-1340</td>
<td></td>
<td></td>
</tr>
<tr class="even">
<td></td>
<td colspan="2" rowspan="3">CF<sub>3</sub>CH<sub>3</sub></td>
<td rowspan="3"><blockquote>
<p>HFC-143a</p>
</blockquote></td>
<td colspan="2">203-297</td>
<td>0-750</td>
<td colspan="3">9</td>
<td colspan="2">580-630</td>
<td></td>
<td></td>
</tr>
<tr class="odd">
<td></td>
<td colspan="2">203-297</td>
<td>0-750</td>
<td colspan="3">9</td>
<td colspan="2">750-1050</td>
<td></td>
<td></td>
</tr>
<tr class="even">
<td></td>
<td colspan="2">203-297</td>
<td>0-750</td>
<td colspan="3">9</td>
<td colspan="2">1100-1500</td>
<td></td>
<td></td>
</tr>
<tr class="odd">
<td></td>
<td colspan="2">CH<sub>3</sub>CHF<sub>2</sub></td>
<td><blockquote>
<p>HFC-152a</p>
</blockquote></td>
<td colspan="2">253-287</td>
<td>0</td>
<td colspan="3">3</td>
<td colspan="2">840-1490</td>
<td></td>
<td></td>
</tr>
<tr class="even">
<td colspan="2">Molecule</td>
<td colspan="3">Band System</td>
<td colspan="3">Spectral Range (cm<sup>-1</sup>)</td>
<td colspan="3"><p>Temperatures</p>
<p>(K)</p></td>
<td colspan="3"></td>
</tr>
<tr class="odd">
<td colspan="2">N<sub>2</sub>O</td>
<td colspan="3">(<sup>1</sup><em>A</em> <sup>1</sup><sup>−</sup> ,
<sup>1</sup>)?  <sup>1</sup><sup>+</sup></td>
<td colspan="3">44925 - 58956</td>
<td colspan="3">296</td>
<td colspan="3"></td>
</tr>
<tr class="even">
<td colspan="2">SO<sub>2</sub></td>
<td colspan="3"><sup>1</sup>B<sub>2</sub> 
<sup>1</sup>A<sub>1</sub></td>
<td colspan="3"><p>41691 - 58452</p>
<p>45455 - 50505</p></td>
<td colspan="3"><p>213</p>
<p>295</p></td>
<td colspan="3"></td>
</tr>
<tr class="odd">
<td colspan="2" rowspan="3">O<sub>3</sub></td>
<td colspan="3"><sup>1</sup>B<sub>2</sub>  <sup>1</sup>A<sub>1</sub>
(Hartley-Huggins)</td>
<td colspan="3">24570 - 42190</td>
<td colspan="3">203 - 293</td>
<td colspan="3"></td>
</tr>
<tr class="even">
<td colspan="3"><sup>1</sup>B<sub>1</sub>  <sup>1</sup>A<sub>1</sub>
(Chappuis)</td>
<td colspan="3"></td>
<td colspan="3"></td>
<td colspan="3"></td>
</tr>
<tr class="odd">
<td colspan="3">(Wulf)</td>
<td colspan="3"></td>
<td colspan="3"></td>
<td colspan="3"></td>
</tr>
<tr class="even">
<td colspan="2">H<sub>2</sub>CO</td>
<td colspan="3"><sup>1</sup>A  <sup>1</sup>A<sub>1</sub></td>
<td colspan="3">27391 - 33311</td>
<td colspan="3">223, 293</td>
<td colspan="3"></td>
</tr>
<tr class="odd">
<td colspan="2">BrO</td>
<td colspan="3"><em>A</em> <sup>2</sup><em><sub>3/2</sub></em> 
<em>X</em> <sup>2</sup><em><sub>3/2</sub></em></td>
<td colspan="3">25756 - 32013</td>
<td colspan="3">228, 298</td>
<td colspan="3"></td>
</tr>
<tr class="even">
<td colspan="2">OClO</td>
<td colspan="3"><sup>2</sup>A<sub>2</sub> 
<sup>2</sup>B<sub>1</sub></td>
<td colspan="3">20992 - 41228</td>
<td colspan="3">228</td>
<td colspan="3"></td>
</tr>
<tr class="odd">
<td colspan="2">ClO</td>
<td colspan="3"><em>A</em> <sup>2</sup><em><sub>3/2</sub></em> 
<em>X</em> <sup>2</sup><em><sub>3/2</sub></em></td>
<td colspan="3">32000 - 37700</td>
<td colspan="3">220</td>
<td colspan="3"></td>
</tr>
<tr class="even">
<td colspan="2">NO<sub>2</sub></td>
<td colspan="3"><sup>2</sup>B<sub>1</sub> 
<sup>2</sup>A<sub>1</sub></td>
<td colspan="3">17540 - 32260</td>
<td colspan="3">213 - 298</td>
<td colspan="3"></td>
</tr>
</tbody>
</table>

###### Table 5. UV Cross-sections for HITRAN

**3. HAWKS Software Development, Upgrades, and Distribution**

Work continued on improving the HAWKS (HITRAN Atmospheric Workstation)
software for the next HITRAN edition. It has been written in the Java
language for cross-platform applicability. In addition to features
described in the last report, several new ones have been added. Many
documents related to HITRAN, such as earlier articles, have been made
into pdf files and incorporated into HAWKS. A pull-down menu has been
added that allows users to bring up related databases, such as the JPL
submillimeter catalog or the Harvard-Smithsonian Center databases of UV
cross-sections. One can also access the ftp-site of the HITRAN database
itself, rather than using a CD-ROM or storage on one's system. The Ontar
Corporation, under the direction of J. Schroeder, have performed this
task, as well as been highly involved with all aspects of database
management.

The Ontar Corp has also gathered many of the scores of references and
citations invoked by and made their abstracts available in the software.
This feature is a valuable resource for the database and for future
development.

**4. HITRAN Web-site Development**

The HITRAN web-site (cfa-www.harvard.edu/HITRAN) continued to be updated
during this period of performance. The AHITRAN UPDATES@ sub-page
includes corrections as discovered by users and new data that has been
validated since the current edition. The "FAQ" sub-page has additional
frequently asked questions and our solutions, garnered from the many
e-mails sent into the PI. The web-site includes links to relevant
conferences, and in particular to the upcoming HITRAN conference in June
as well as the Atmospheric Spectroscopy Applications conference in
August.

The ftp-site (cfa-ftp.harvard.edu/pub/HITRAN/) for the HITRAN
compilation was established during the last period. There are security
issues that have prevented a few users from accessing the site.
Generally the problem has been that the machines the users are using are
not properly registered with a nameserver. We have solved this problem
by allowing users to also access the server that contains the
compilation via regular internet while protecting our site.

**5. Collaborations**

The development of HITRAN relies on cooperation and collaboration with
the whole spectroscopic community. As can be seen from the description
of data in this report, we have continued to develop these connections.
In this period in particular, the generous contributions of groups in
Belgium are to be noted. We are also working closely here with
scientists in the Atomic and Molecular Physics Division: K. Chance and
K. Yoshino especially for updating and improving the UV portion of the
compilation. Linda Brown of JPL provided much data in very complete
HITRAN format (even anticipating the next expanded format). Aaron
Goldman of the University of Denver also provided much data, as did
Steven Massie of NCAR for the aerosols. We have a strong collaboration
with Victor Dana and Jean-Yves Mandin of the University of Paris,
providing us with accurate high-resolution parameters for trace gas
species. Curtis Rinsland and Mary Ann Smith of NASA Langley Research
Center and their colleagues at the College of William and Mary, D. Chris
Benner and V.Malathy Devi, are also close collaborators. Robert Gamache
at the University of Massachusetts, Lowell has been working on the
partition sums and other molecular aspects of the database.

**6. Meetings, Presentations, and Publications**

This project is tasked to conduct a biennial conference on issues
relating to the HITRAN database. A first circular was sent out via
e-mail for the meeting to be held 12-14 June 2002 at the
Harvard-Smithsonian Center for Astrophysics in Cambridge Massachusetts.
The local committee is chaired by the PI, L.S. Rothman, and includes
Drs. K. Chance, T. Kurosu, and W. Parkinson. We plan to have invited and
contributed talks and poster sessions. The latter have been very
successful in the past for promoting workshop-type discussions. These
discussions and panels are essential in forming a consensus for the
standardization of the data, establishing definitions of various
quantities, and for providing direction for future measurement programs.
We are in the planning stage for special sessions. Emphasis is always on
applications for remote sensing and for spectroscopic data that enhance
the capabilities of radiance algorithms. A book of abstracts will be
prepared from the meeting, and made available on the web-site as with
the proceedings from previous HITRAN meetings. At this time we have many
key people pre-registered. Titles of presentations assembled so far can
be viewed in the HITRAN web-site. A second circular is being prepared,
which will be sent out via e-mail to the HITRAN mailing list (about
5000); additional notices will be sent to the EOS and ARM communities in
general.

We have obtained some limited funding from the NASA Upper Atmosphere
program to invite members of the HITRAN Advisory Board who are not US
government employees. This board is tasked to oversee and create
sub-panels of researchers in specific areas for updating HITRAN. For
example, when one has several independent and highly qualified groups
measuring the same parameters for a high-priority molecule (water, for
example), we need an evaluation of the data and a decision of what goes
into a HITRAN update. This issue was highlighted at the NASA Remote
Sensing Workshop held in San Diego October 2001. A summary of the
meeting will be presented by K. Jucks at the upcoming HITRAN conference.

In March, the PI attended and made a poster presentation at the
Atmospheric Radiation Measurement (ARM) science team annual meeting,
held in Atlanta.

During the month of May, the PI was an invited professor at the
University of Paris, where he worked with the group of Prof. V. Dana.
The group includes Dr. J-Y. Mandin and D. Jacquemart. The latter will
defend his thesis this May, and is a candidate for post-doc on the
HITRAN project.

In June, the PI organized and chaired a session on spectroscopy at the
DOD annual atmospheric transmission meeting that was held at Hanscom
AFB.

The PI gave an invited talk at the NASA Remote Sensing Workshop that was
held in San Diego in October. This meeting was particularly effective
for the development of HITRAN.

The PI also participated in NASA Peer Review panel for the Upper
Atmosphere program that took place outside Washington at the end of
October (it had been delayed due to events of 9-11).

*Publications during this period*:

"The spectrum of acetylene in the 5-μm region from new line parameter
measurements," D. Jacquemart, J.-Y. Mandin, V. Dana, L. Régalia-Jarlot,
J.J. Plateaux, D. Décatoire, and L.S. Rothman, *JQSRT* (in press, 2002).

*Presentations during this period*:

"A New Edition of the HITRAN Database," ARM Science Team Meeting,
Atlanta, Georgia (March 2001)

"A New Edition of HITRAN," 24^th^ Annual Review of Atmospheric
Transmission Models, Hanscom Air Force Base, Massachusetts (June 2001).

"HITRAN'2001: Status of the Spectroscopic Database Compilation," NASA
Workshop on Spectroscopic Needs for Atmospheric Sensing, San Diego,
California (October 2001).

**7. Future Effort**

Other line-parameter data that will soon be made available include bands
of N~2~O, HCN, CH~3~Cl, HOCl, H~2~O~2~, and numerous UV data sets that
are mostly being developed at the Atomic and Molecular Physics Division
at the SAO.

We have completed an update for nitrous oxide (N~2~O). Two bands in the
10-μm region were obtained from the Free University of Brussels, but
based on work performed at the University of Paris.^12^ The bands that
were replaced in HITRAN had very poor intensities, so this update should
significantly improve some simulations. The other update is the ν~2~
band at 17 μm; K. Jucks of SAO assisted with this effort, which was
based on data from a joint program of the National Research Council of
Canada and NASA.^13^

We continue to evaluate new data on water vapor in the near IR through
visible region that has come from a collaboration of laboratories
directed out of the University College London supported by the European
Space Agency.

The plans continue for an enhanced format for HITRAN that will include
new parameters for each line: the Einstein-A coefficient, the error and
references for self-broadened, temperature dependence of halfwidth, and
pressure shift parameters. We had a student from the University of
Massachusetts work during the summer on partition sums for all of the
molecular species and their isotopomers. We have completed all but three
of the species. The values are given at one-degree intervals from 70K to
3000K and are now in the HITRAN ftp-site. The student, J. Fischer, did
an excellent job. He evaluated different methods for each isotopomer
(nearly 200). The methods included direct sum and analytical. We chose
the method that produced the most accurate values. Prof. R. Gamache is
now using these partition sums to implement the algorithm for producing
Einstein-A coefficients for HITRAN.

We are collaborating with the group at NASA Langley and R. Hawkins at
AFRL to update the CO~2~ parameters based on energy level observations
in the 3-μm region and new intensity observations by NASA Ames. This
effort requires a whole new global fit of the energy levels, and then a
calculation of all carbon dioxide parameters for a self-consistent set.

We are expecting to receive new parameters for carbon monoxide from NASA
Ames. These data as well as the CO~2~ improvements are expected to
impact **MOPITT**, **TES**, etc. However, new data have recently been
published from other groups on the higher overtones of CO that we have
begun to evaluate.

Vastly improved line positions and intensities for bands of HCN have
been obtained from A. Maki (formerly of NBS).^14^ The group at NASA
Langley will soon have new improved values for the halfwidths; however,
in the interim, we are using new algorithms provided by M.A.H. Smith of
NASA to update the halfwidths (air and self) and the
temperature-dependence parameter.

The availability of the halfwidth and temperature-dependence parameters
has improved a great deal. In the early editions of HITRAN, one would
often have no information for some molecules, so that the average value
of 0.05 cm-1/atm was adopted for the air-broadened halfwidth, no value
was given for the self-broadened halfwidth, and the hard-sphere
collisional value of 0.5 was adopted for the temperature dependence
coefficient. The current situation, with all the species presently in
HITRAN, is illustrated in Table 6. Some of the extrema are perhaps
misleading since some bands of a species may have these parameters,
while other bands may still possess old default values. Improvement and
completeness of these parameters must be one of the HITRAN goals for
remote sensing.

Table 6. Range of Parameters in HITRAN for Air- (γ~air~) and
Self-broadened (γ~self~) Halfwidths, Temperature Dependence of
Air-broadened Width (η), and Pressure-shift (δ).

<table>
<colgroup>
<col style="width: 15%" />
<col style="width: 10%" />
<col style="width: 10%" />
<col style="width: 10%" />
<col style="width: 10%" />
<col style="width: 9%" />
<col style="width: 0%" />
<col style="width: 10%" />
<col style="width: 11%" />
<col style="width: 0%" />
<col style="width: 11%" />
</colgroup>
<tbody>
<tr class="odd">
<td rowspan="2"><strong>Molecule</strong></td>
<td colspan="2"><strong>γ<sub>air</sub></strong></td>
<td colspan="2"><strong>γ<sub>self</sub></strong></td>
<td colspan="3"><p id="η" class="heading"><strong>η</strong></p></td>
<td colspan="3"><strong>δ</strong></td>
</tr>
<tr class="even">
<td><strong>Min.</strong></td>
<td><strong>Max.</strong></td>
<td><strong>Min.</strong></td>
<td><strong>Max.</strong></td>
<td colspan="2"><strong>Min.</strong></td>
<td><strong>Max.</strong></td>
<td><strong>Min.</strong></td>
<td colspan="2"><strong>Max.</strong></td>
</tr>
<tr class="odd">
<td>1. <strong>H<sub>2</sub>O</strong></td>
<td>0.0023</td>
<td>0.1099</td>
<td>0.</td>
<td>0.7048</td>
<td colspan="2">0.28</td>
<td>0.97</td>
<td>-0.0312</td>
<td colspan="2">0.0212</td>
</tr>
<tr class="even">
<td>2. <strong>CO<sub>2</sub></strong></td>
<td>0.0554</td>
<td>0.0949</td>
<td>0.0523</td>
<td>0.1279</td>
<td colspan="2">0.49</td>
<td>0.78</td>
<td>-0.00372</td>
<td colspan="2">0.</td>
</tr>
<tr class="odd">
<td>3. <strong>O<sub>3</sub></strong></td>
<td>0.0494</td>
<td>0.0836</td>
<td>0.0809</td>
<td>0.1119</td>
<td colspan="3">— 0.76 —</td>
<td colspan="3">— 0. —</td>
</tr>
<tr class="even">
<td>4. <strong>N<sub>2</sub>O</strong></td>
<td>0.0686</td>
<td>0.0974</td>
<td>0.0</td>
<td>0.127</td>
<td colspan="2">0.64</td>
<td>0.82</td>
<td colspan="3">— 0. —</td>
</tr>
<tr class="odd">
<td>5. <strong>CO</strong></td>
<td>0.04</td>
<td>0.0789</td>
<td>0.046</td>
<td>0.0878</td>
<td colspan="3">— 0.69 —</td>
<td colspan="3">— 0. —</td>
</tr>
<tr class="even">
<td>6. <strong>CH<sub>4</sub></strong></td>
<td>0.0000</td>
<td>0.0987</td>
<td>0.0137</td>
<td>0.2045</td>
<td>0.1300</td>
<td colspan="2">1.07</td>
<td>-0.0328</td>
<td colspan="2">0.017967</td>
</tr>
<tr class="odd">
<td>7. <strong>O<sub>2</sub></strong></td>
<td>0.0279</td>
<td>0.0601</td>
<td>0.0274</td>
<td>0.059</td>
<td colspan="2">0.63</td>
<td>0.74</td>
<td>-0.009</td>
<td colspan="2">0.0</td>
</tr>
<tr class="even">
<td>8. <strong>NO</strong></td>
<td>0.041</td>
<td>0.0687</td>
<td>0.0</td>
<td>0.076</td>
<td colspan="2">0.5</td>
<td>0.71</td>
<td>-0.004</td>
<td colspan="2">0.0</td>
</tr>
<tr class="odd">
<td>9. <strong>SO<sub>2</sub></strong></td>
<td>0.1</td>
<td>0.152</td>
<td>0.0</td>
<td>0.4</td>
<td colspan="2">0.5</td>
<td>0.75</td>
<td colspan="3">— 0. —</td>
</tr>
<tr class="even">
<td>10. <strong>NO<sub>2</sub></strong></td>
<td>0.063</td>
<td>0.067</td>
<td colspan="2">— 0. —</td>
<td colspan="3">— 0.5 —</td>
<td colspan="3">— 0. —</td>
</tr>
<tr class="odd">
<td>11. <strong>NH<sub>3</sub></strong></td>
<td>0.0531</td>
<td>0.11</td>
<td>0.0585</td>
<td>0.6603</td>
<td colspan="2">0.45</td>
<td>0.95</td>
<td colspan="3">— 0. —</td>
</tr>
<tr class="even">
<td>12. <strong>HNO<sub>3</sub></strong></td>
<td colspan="2">— 0.11 —</td>
<td>0.</td>
<td>0.73</td>
<td colspan="3">— 0.75 —</td>
<td colspan="3">— 0. —</td>
</tr>
<tr class="odd">
<td>13. <strong>OH</strong></td>
<td>0.04</td>
<td>0.095</td>
<td colspan="2">— 0. —</td>
<td colspan="2">0.5</td>
<td>0.66</td>
<td colspan="3">— 0. —</td>
</tr>
<tr class="even">
<td>14. <strong>HF</strong></td>
<td>0.01</td>
<td>0.105</td>
<td>0.</td>
<td>0.7295</td>
<td colspan="2">0.22</td>
<td>1.</td>
<td>-0.029</td>
<td colspan="2">0.012</td>
</tr>
<tr class="odd">
<td>15. <strong>HCl</strong></td>
<td>0.005</td>
<td>0.0984</td>
<td>0.0221</td>
<td>0.264</td>
<td colspan="2">0.05</td>
<td>0.76</td>
<td>-0.0129</td>
<td colspan="2">0.001</td>
</tr>
<tr class="even">
<td>16. <strong>HBr</strong></td>
<td>0.015</td>
<td>0.123</td>
<td>0.05</td>
<td>0.1378</td>
<td colspan="3">— 0.5 —</td>
<td colspan="3">— 0. —</td>
</tr>
<tr class="odd">
<td>17. <strong>HI</strong></td>
<td colspan="2">— 0.05 —</td>
<td>0.01</td>
<td>0.12</td>
<td colspan="3">— 0.5 —</td>
<td colspan="3">— 0. —</td>
</tr>
<tr class="even">
<td>18. <strong>ClO</strong></td>
<td>0.085</td>
<td>0.093</td>
<td colspan="2">— 0. —</td>
<td>0.5</td>
<td colspan="2">0.75</td>
<td colspan="3">— 0. —</td>
</tr>
<tr class="odd">
<td>19. <strong>OCS</strong></td>
<td>0.07</td>
<td>0.1092</td>
<td>0.</td>
<td>0.1685</td>
<td>0.3</td>
<td colspan="2">0.9</td>
<td colspan="3">— 0. —</td>
</tr>
<tr class="even">
<td>20. <strong>H<sub>2</sub>CO</strong></td>
<td>0.107</td>
<td>0.108</td>
<td colspan="2">— 0. —</td>
<td colspan="3">— 0.5 —</td>
<td colspan="3">— 0. —</td>
</tr>
<tr class="odd">
<td>21. <strong>HOCl</strong></td>
<td colspan="2">— 0.06 —</td>
<td colspan="2">— 0. —</td>
<td colspan="3">— 0.5 —</td>
<td colspan="3">— 0. —</td>
</tr>
<tr class="even">
<td>22. <strong>N<sub>2</sub></strong></td>
<td>0.0314</td>
<td>0.053</td>
<td>0.0314</td>
<td>0.053</td>
<td colspan="3">— 0.5 —</td>
<td colspan="3">— 0. —</td>
</tr>
<tr class="odd">
<td>23. <strong>HCN</strong></td>
<td>0.0819</td>
<td>0.1566</td>
<td colspan="2">— 0. —</td>
<td colspan="3">— 0.5 —</td>
<td colspan="3">— 0. —</td>
</tr>
<tr class="even">
<td>24. <strong>CH<sub>3</sub>Cl</strong></td>
<td>0.08</td>
<td>0.1238</td>
<td colspan="2">— 0. —</td>
<td colspan="3">— 0.5 —</td>
<td colspan="3">— 0. —</td>
</tr>
<tr class="odd">
<td>25. <strong>H<sub>2</sub>O<sub>2</sub></strong></td>
<td colspan="2">— 0.1 —</td>
<td colspan="2">— 0. —</td>
<td colspan="3">— 0.5 —</td>
<td colspan="3">— 0. —</td>
</tr>
<tr class="even">
<td>26. <strong>C<sub>2</sub>H<sub>2</sub></strong></td>
<td>0.04</td>
<td>0.1158</td>
<td>0.0812</td>
<td>0.1969</td>
<td colspan="3">— 0.75 —</td>
<td colspan="2">-0.001</td>
<td>0.0</td>
</tr>
<tr class="odd">
<td>27. <strong>C<sub>2</sub>H<sub>6</sub></strong></td>
<td colspan="2">— 0.1 —</td>
<td colspan="2">— 0. —</td>
<td colspan="3">— 0.5 —</td>
<td colspan="3">— 0. —</td>
</tr>
<tr class="even">
<td>28. <strong>PH<sub>3</sub></strong></td>
<td colspan="2">— 0.075 —</td>
<td colspan="2">— 0. —</td>
<td colspan="3">— 0.5 —</td>
<td colspan="3">— 0. —</td>
</tr>
<tr class="odd">
<td>29. <strong>COF<sub>2</sub></strong></td>
<td colspan="2">— 0.0845 —</td>
<td colspan="2">— 0.175 —</td>
<td colspan="3">— 0.94 —</td>
<td colspan="3">— 0. —</td>
</tr>
<tr class="even">
<td>30. <strong>SF<sub>6</sub></strong></td>
<td colspan="2">— 0.05 —</td>
<td colspan="2">— 0.08 —</td>
<td colspan="3">— 0.65 —</td>
<td colspan="3">— 0. —</td>
</tr>
<tr class="odd">
<td>31. <strong>H<sub>2</sub>S</strong></td>
<td>0.08</td>
<td>0.15</td>
<td colspan="2">— 0.17 —</td>
<td colspan="3">— 0.75 —</td>
<td colspan="3">— 0. —</td>
</tr>
<tr class="even">
<td>32. <strong>HCOOH</strong></td>
<td colspan="2">— 0.1 —</td>
<td colspan="2">— 0. —</td>
<td colspan="3">— 0.75 —</td>
<td colspan="3">— 0. —</td>
</tr>
<tr class="odd">
<td>33. <strong>HO<sub>2</sub></strong></td>
<td colspan="2">— 0.107 —</td>
<td colspan="2">— 0. —</td>
<td>0.5</td>
<td colspan="2">0.67</td>
<td colspan="3">— 0. —</td>
</tr>
<tr class="even">
<td>34. <strong>O</strong></td>
<td colspan="10"><h2 id="not-applicable">— Not Applicable —</h2></td>
</tr>
<tr class="odd">
<td>35. <strong>ClONO<sub>2</sub></strong></td>
<td colspan="2">— 0.14 —</td>
<td colspan="2">— 0.8 —</td>
<td colspan="3">— 0.5 —</td>
<td colspan="3">— 0. —</td>
</tr>
<tr class="even">
<td>36. <strong>NO<sup>+</sup></strong></td>
<td colspan="2">— 0.06 —</td>
<td colspan="2">— 0. —</td>
<td colspan="3">— 0.5 —</td>
<td colspan="3">— 0. —</td>
</tr>
<tr class="odd">
<td>37. <strong>HOBr</strong></td>
<td colspan="2">— 0.06 —</td>
<td colspan="2">— 0. —</td>
<td colspan="3">— 0.67 —</td>
<td colspan="3">— 0.—</td>
</tr>
<tr class="even">
<td>38. <strong>C<sub>2</sub>H<sub>4</sub></strong></td>
<td colspan="2">— 0.087 —</td>
<td colspan="2">— 0.09 —</td>
<td colspan="3">— 0.82 —</td>
<td colspan="3">— 0.—</td>
</tr>
</tbody>
</table>

Note: "zero" as minimum value means "no value given"; ClONO~2~ and SF~6~
are in supplemental line-files; ranges indicate extremes for some bands,
others may be defaults or blank

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