HITRAN
The HITRAN format is the format defined by the High-resolution Transmission Molecular Absorption (HITRAN) database . It has been widely adopted by the community of spectroscopists and modellers using spectrospcopic data.
Data are stored in a standardised way in formatted ASCII text files. HITRAN conventions are described on the HITRAN Database Web Site under Section "HITRAN Facts".
We have reproduced some of the tables available at the HITRAN site below for convenience.
- Tables 1 & 2 display all fields included in one record (one line) of a HITRAN data file. Each table corresponds to a version of the HITRAN database (prior-to or after 2000).
- Table 3 lists molecule numbers and formulæ. Isotope numbers can be found on the HITRAN Web site.
- Table 4 displays the error codes and their meanings.
Table 1. Format for HITRAN Parameters, Editions 1986 through 2000 – One record includes 16 parameters and is 100 characters long | ||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Parameter | Molecule number |
Isotope number |
Transition frequency [cm -1] |
Line intensity |
|R| 2 | Air- broadened width |
Self- broadened width |
Lower- state energy |
Temperature dependence (of air width) |
Pressure shift |
Upper vibrational quanta |
Lower vibrational quanta |
Upper local quanta |
Lower local quanta |
Error code |
Reference code |
Field length | 2 | 1 | 12 | 10 | 10 | 5 | 5 | 10 | 4 | 8 | 3 | 3 | 9 | 9 | 3 | 6 |
Table 2. New Format for HITRAN Parameters, Editions after 2000 – One record includes 19 parameters and is 160 characters long | |||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Parameter | Molecule number |
Isotope number |
Transition frequency [cm -1] |
Line intensity |
Einstein-A coefficient |
Air- broadened width |
Self- broadened width |
Lower- state energy |
Temperature dependence (of air width) |
Pressure shift |
Upper vibrational quanta |
Lower vibrational quanta |
Upper local quanta |
Lower local quanta |
Error code |
Reference code |
Flag for line mixing |
Upper statistical weight |
Lower statistical weight |
Field length | 2 | 1 | 12 | 10 | 10 | 5 | 5 | 10 | 4 | 8 | 15 | 15 | 15 | 15 | 6 | 12 | 1 | 7 | 7 |
FORTRAN descriptor |
i2 | i1 | f12.6 | 1pe10.3 | e10.3 | 0pf5.4 | f5.4 | 1pf10.4 | 0pf4.2 | f8.6 | a15 | a15 | a15 | a15 | 6i1 | 6i2 | a1 | i7 | i7 |
Table 3. HITRAN molecule numbers | ||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
# | Molecule | # | Molecule | # | Molecule | # | Molecule | # | Molecule | |||||
1 | H 2O | 9 | SO 2 | 17 | HI | 25 | H 2O2 | 33 | HO 2 | |||||
2 | CO 2 | 10 | NO 2 | 18 | ClO | 26 | C 2H2 | 34 | O | |||||
3 | O 3 | 11 | NH 3 | 19 | OCS | 27 | C 2H6 | 35 | ClONO 2 | |||||
4 | N 2O | 12 | HNO 3 | 20 | H 2CO | 28 | PH 3 | 36 | NO + | |||||
5 | CO | 13 | OH | 21 | HOCl | 29 | COF 2 | 37 | HOBr | |||||
6 | CH 4 | 14 | HF | 22 | N 2 | 30 | SF 6 | 38 | C 2H4 | |||||
7 | O 2 | 15 | HCl | 23 | HCN | 31 | H 2S | |||||||
8 | NO | 16 | HBr | 24 | CH 3Cl | 32 | HCOOH |
Table 4. HITRAN one-digit error codes | ||||
---|---|---|---|---|
Wavenumber [cm -1] | Intensity, Halfwidths, Temperature dependence, Pressure shift |
|||
Code | Error range | Code | Error range | |
0 | > 1 cm -1 or unreported | 0 | Unreported or unavailable | |
1 | Between 1 and 0.1 cm -1 | 1 | Default or constant | |
2 | Between 0.1 and 0.01 cm -1 | 2 | Average or estimate | |
3 | Between 0.01 and 0.001 cm -1 | 3 | > 20% | |
4 | Between 0.001 and 0.0001 cm -1 | 4 | Between 10% and 20% | |
5 | Between 0.0001 and 0.00001 cm -1 | 5 | Between 5% and 10% | |
6 | Better than 0.00001 cm -1 | 6 | Between 2% and 5% | |
7 | Between 1% and 2% | |||
8 | < 1% |