CHAPTER 4: How to use ? Part 3

 
• 4.5 User interface file control.inp
• 4.6 User interface file control2.inp
• 4.7 User interface file for LOWTRAN aerosol scheme
• 4.8 User interface file for GOMETRAN/SCIATRAN aerosol scheme
• 4.9 Trace gas absorption cross-section data base
  • 4.91 User interface file for trace gas cross-section settings
• 4.10 User interface file for ESFT data base specification
• 4.11 User interface file for altitude grid settings
• 4.12 Atmospheric profiles input files
  • 4.12.1 Examples of atmospheric profiles input files

4.5 User interface file "control.inp"

This section contains a sample file of the main user interface file control.inp. For each key word a detailed description is given. The structure of this file (as well as of the other interface files) has already been explained in section 4.2.

See the file control.inp in a new window or in this window.

4.6 User interface file control2.inp

This section contains a sample file of the user interface file control2.inp. The main purpose of this file is to specify input settings which are not supposed to change frequently.

See the file control2.inp in a new window or in this window.

4.7 User interface file for LOWTRAN aerosol scheme

This section contains a sample file of the user interface file low_aer.inp. Note that this file name is not fixed but has to be specified in control.inp. The main purpose of this file is to specify input settings for the LOWTRAN aerosol scenario.

See the file low_aer.inp in a new window or in this window.

4.8 User interface file for GOMETRAN/SCIATRAN aerosol scheme

This section contains a sample file of the user interface file scia_aer.inp. Note that this file name is not fixed but has to be specified in control.inp. The main purpose of this file is to specify input settings for the GOMETRAN/SCIATRAN aerosol scenario.

See the file scia_aer.inp in a new window or in this window.

4.9 Trace gas absorption cross-section data base

The SCIATRAN trace gas absorption cross-section data base is located in the directory

~/data/spectra/.

The trace gas absorption cross section files have the following structure (exception: see below):

• Headerlines: the first lines, if they have a ``;'' as first character are ignored by SCIATRAN. These lines may contain comments etc. The following lines have to contain two columns:
  First column: wavelength in [nm]
  Second column: absorption cross section in [cm²/molecule]

  The wavelength have to be given in ascending order (i.e. the first row has to contain the smallest wavelength). Note that ``cross-sections'' corresponding to the first and the last wavelength have to be set to zero in order to avoid wavelength extrapolations with constants different from zero.

  The following files generated according to this format can be found in

  ~/data/spectra/:

  O3_gpp.DAT	Ozone, Bass Johnsten, WMO (1975)
  o3_202_gpp.air	Ozone, Dehn Richter, 202 K, air wavelength
  o3_202_gpp.vac	Ozone, Dehn Richter, 202 K, vacuum wavelength
  o3_221_gpp.air
  o3_221_gpp.vac
  o3_241_gpp.air
  o3_241_gpp.vac
  o3_273_gpp.air
  o3_273_gpp.vac
  o3_293_gpp.air
  o3_293_gpp.vac

  no2_221_gpp.air	NO2, Dehn Richter, 221 K, air wavelength
  no2_221_gpp.vac	NO2, Dehn Richter, 221 K, vacuum wavelength
  no2_241_gpp.air
  no2_241_gpp.vac
  no2_273_gpp.air
  no2_273_gpp.vac
  no2_293_gpp.air
  no2_293_gpp.vac
  no2mpi_gpp.dat
  no2mpi_gpp.int
  no3jpl_gpp.dat
  brow298_gpp.dat	298 K [44]
  clompi_gpp.dat	ClO [40]
  hchompi_gpp.int	HCHO
  o4green_gpp.dat	O$$4, 296 K [16]
  oclowahlt_gpp.dat	OClO [45]
  so2hearn_gpp.dat	SO$$2 [17]

  The trace gas cross-section files containing the temperature dependend ozone cross sections parameterised according to Bass Paur [33] (second order polynomial) in the Hartley-Huggins bands (ca. 235-370 nm) have a different format.

  The following files contain wavelength $[nm]$ and the three polynomial coefficients to parameterise the temperature dependence:

  • gometemp.air
    Dehn Richter, GOME FM measurements, air wavelength, prelimiary
  • gometemp.vac
    Dehn Richter, GOME FM measurements, vacuum wavelength, prelimiary
  • gometemp.air
    Dehn Richter, GOME FM measurements, air wavelength, prelimiary
  • gometemp.vac
    Dehn Richter, GOME FM measurements, vacuum wavelength, prelimiary
  • n_gometemp.air
    GOME FM measurements, air wavelength, final [11]
  • n_gometemp.vac
    GOME FM measurements, vacuum wavelength, final [11]
  • n_gometemp.air
    GOME FM measurements, air wavelength, final [11]
  • n_gometemp.vac
    GOME FM measurements, vacuum wavelength, final[11]
  • o3temp.dat [33]

Note that the ``preliminary'' GOME FM cross-sections have been included as they have been and still are used for operational retrieval of ozone (and N$$₂O) column retrieval from GOME data.

4.9.1 User interface file for trace gas cross-section settings

This section contains a sample file of the user interface file xsections.inp. Note that this file name is not fixed but has to be specified in control.inp. The main purpose of this file is to specify the input settings for the trace gas absorption cross-sections (mainly filenames).

Note again that onyl the user settings placed directly after the key words are actually used. This means, for example, that

'gometemp.vac', 235.1, 369.9

is ignored, if the corresponding keyword is missing in the preceeding line.

See the file xsections.inp in a new window or in this window.

4.10 User interface file for ESFT data base specification

This section contains a sample file of the user interface file esft.inp (fixed filename used in gt_esft_parameter_setup. Note that additional important information to use these data can be found in docu/esft_spectral_info.doc.

Note that this file usually needs not to be changed!

Note that this file also contains all informations needed to properly specify the SCIATRAN wavelength grid (see control.inp) in ESFT/c-k mode. See also the additional informations given in Table 4.10.

In c-k mode the specified wavelength have to be identical with the center wavelength of the ESFT/c-k spectral pixels given below (e.g. 760.025 nm is the center wavelength of pixel 760.000 nm - 760.050 nm lying in the oxygen A-band, where the wavelength is sampled every 0.05 nm. The next spectral point, therefore, is 760.025 nm + 0.05 nm = 760.075 nm, etc.

See the file esft.inp in a new window or in this window.

  

Table 4.1:

No.	Line	Spectral range	$\Delta \lambda c-k$	$M$	Line wing	Size
	absorber	[nm]	[nm]		cut-off [cm$-1$]	[Mb]
1	CH$$4	1630-1680	0.200	5	100	10
2	CH$$4	1680-1720	0.200	5	100	8
3	CH$$4	1720-1800	0.200	1	100	6
4	CH$$4	2230-2300	0.025	5	50	12
5	CH$$4	2300-2347	0.025	5	50	8
6	CH$$4	2347-2400	0.025	5	50	9
7	CO	2300-2347	0.025	1	100	3
8	CO	2347-2400	0.025	1	100	3
9	CO$$2	1420-1460	0.200	5	100	1
10	CO$$2	1560-1630	0.200	5	100	1
11	CO$$2	1630-1680	0.200	1	100	0.4
12	CO$$2	1920-1990	0.025	5	25	12
13	CO$$2	1990-2060	0.025	5	25	12
14	H$$2O	440- 450	0.050	5	100	1
15	H$$2O	464- 476	0.050	5	100	1
16	H$$2O	480- 515	0.050	5	100	3
17	H$$2O	520- 560	0.050	5	100	3
18	H$$2O	560- 610	0.050	5	100	4
19	H$$2O	620- 675	0.050	5	100	5
20	H$$2O	685- 705	0.050	5	100	2
21	H$$2O	705- 760	0.050	5	100	5
22	H$$2O	770- 800	0.050	5	100	3
23	H$$2O	800- 870	0.050	5	100	6
24	H$$2O	870- 950	0.050	5	100	7
25	H$$2O	950-1070	0.050	5	100	10
26	H$$2O	1070-1240	0.200	5	100	4
27	H$$2O	1240-1560	0.200	5	100	7
28	H$$2O	1560-1670	0.200	1	100	1
29	H$$2O	1670-1800	0.200	5	100	3
30	H$$2O	1920-1990	0.025	5	25	12
31	H$$2O	1990-2060	0.025	5	25	12
32	H$$2O	2230-2300	0.025	1	50	4
33	H$$2O	2300-2347	0.025	5	50	8
34	H$$2O	2347-2400	0.025	5	50	9
35	O$$2	625- 640	0.050	5	100	1
36	O$$2	685- 702	0.050	5	100	1
37	O$$2	755- 775	0.050	5	100	2
38	O$$2	1230-1310	0.200	5	100	2
39	N$$2O	2230-2325	0.025	1	50	6

Complete set of ESFT/correlated-k data bases generated for and implemented in SCIATRAN. $M$ denotes the number of ESFT coefficients used, "Line wing cut-off" specifies the maximum distance in wavenumbers of lines assumed to contribute for the wavelength of interest. $\Delta \lambda c-k$ denotes the correlated-k spectral averaging interval which is identical with the spectral sampling distance in the given spectral regions.

User interface file for altitude grid settings

This section contains a sample file of the user interface file gt_net.inp. Note that this file name is not fixed but has to be specified in control.inp. The main purpose of this file is to specify input settings for the internal height grid (mainly filenames and corresponding spectral segments).

See the file gt_net.inp in a new window or in this window.

Atmospheric profiles input files

The atmospheric profiles input file name has to be specified in control.inp (keyword: "Profile scenario file name").

This file has to have the following structure:

• Headerlines: the first lines, if they have a ``;'' as first character are ignored by SCIATRAN. These lines may contain comments etc.
• The following lines have to contain 12 columns each. Column 1 has to contain an integer number as row index in inverse order starting with the total number of atmospheric levels (for example 34 (first line) to 1 (last line)).
  • Column 2 has to contain the corresponding altitude level in $[km]$.
  • Column 3 has to contain the pressure in $[mbar]$ (=$[hPa]$).
  • Column 4 has to contain the temperature in $[K]$.
  • The eight columns 5 - 12 have to contain the trace gas concentrations in $[ppmV]$ (parts per million by volume) in the following order: O$$₃, NO$$₂, SO$$₂, ClO, BrO, NO$$₃, HCHO, OClO

Examples of atmospheric profiles input files

Vertical profiles of ozone and all the ``minor trace gases'' in the GOME spectral range have to be compiled in one file. The filename has to be specified using keyword MPI profile scenario file name (see control.inp sample file for details). This file also contains pressure and temperature profiles. The structure of this file is as follows :

; Northern midlatitude /background/
; latitude = 55 ;  month =  1
; k    z        p       t         o3         no2        so2    etc.
34   60.60      .19   233.6  0.7840E+00  .9000E-05  .5146E-04  ...
33   58.60      .25   237.5   .8770E+00  .9000E-05  .4982E-04  ...
 ...
 2    0.80   912.00   265.6   .3762E-01  .1377E-02  .2740E-03  ...
 1    0.20   980.00   270.7   .3534E-01  .1403E-02  .3000E-03  ...

The corresponding filenames usually have the following structure:

monxxlatyyz.mpi

xx denotes the number of the month (01=jan, 02=feb, ...,12=dec),
yy denotes latitude band (05=0-10deg, 15=10-20deg, ...,85=80-90deg),
z denotes hemisphere (n=NH, s=SH).

These files have been compiled from the original database provided by Christoph Brühl, Max-Planck-Institut für Chemie, Mainz, Germany, in short MPI Mainz. They are derived from a 2D chemo-dynamical model developed at MPI Mainz (Christoph Brühl, private communication).

Profiles of line-absobers, like O$$₂, H$$₂O, CO, H$$₂O, CH$$₄, and N$$₂O, are stored in separate input files. The pressure, temperature and volume mxing ratio profiles have been extracted from the LOWTRAN/MODTRAN radiative transfer code [26, 25] and have originally been compiled by McClatchey et al. [30].

Example: ~/data/profiles/midlatsum_ch4_.dat, containing the LOWTRAN mid-latitude summer CH$$₄ profile, including pressure and temperature profile). The format of these files is as follows:

; LOWTRAN atmospheric profile 
; atmosphere: midlatsum  gas: ch4_
; No  z[km]     p[mb]      t[K]  VMR[ppm]
  50 120.00 2.270E-05 3.800E+02 3.000E-02
  49 115.00 3.560E-05 3.168E+02 6.000E-02
  48 110.00 6.110E-05 2.624E+02 9.500E-02
etc. ...
   4   3.00 7.100E+02 2.792E+02 1.700E+00
   3   2.00 8.020E+02 2.852E+02 1.700E+00
   2   1.00 9.020E+02 2.897E+02 1.700E+00
   1    .00 1.013E+03 2.942E+02 1.700E+00

Ideally the height range covered by the atmospheric profiles should cover the height range of the internal SCIATRAN height grids (see gt_net.inp). SCIATRAN interpolates all profiles on the (wavelength dependent) internal height grid using linear or Akima interpolation [1].

A simple approach is used in case extrapolation might be necessary: The trace gas VMR is extrapolated using the last value for all other levels (constant value extrapolation). Temperature and the logarithm of pressure are linearly extrapolated using the last two specified points only.