ARTS: species_data.cc Source File

00001 /* Copyright (C) 2000-2008
00002    Stefan Buehler <sbuehler@ltu.se>,
00003    Axel von Engeln <engeln@uni-bremen.de>
00004 
00005    This program is free software; you can redistribute it and/or modify it
00006    under the terms of the GNU General Public License as published by the
00007    Free Software Foundation; either version 2, or (at your option) any
00008    later version.
00009 
00010    This program is distributed in the hope that it will be useful,
00011    but WITHOUT ANY WARRANTY; without even the implied warranty of
00012    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
00013    GNU General Public License for more details.
00014 
00015    You should have received a copy of the GNU General Public License
00016    along with this program; if not, write to the Free Software
00017    Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307,
00018    USA. */
00019 
00034 #include "arts.h"
00035 #include "make_array.h"
00036 #include "absorption.h"
00037 
00038 
00040 Array<SpeciesRecord> species_data;
00041 
00042 
00045 #define NAME(x) x                               
00046 #define DEGFR(x) x                              
00047 #define ISOTOPES     MakeArray<IsotopeRecord>   
00048 #define REC          IsotopeRecord              
00049 #define TAGS         MakeArray<Index>           
00050 
00051 
00052 
00132 // prototyping
00133 void define_basic_species_data();
00134 extern void define_partition_species_data();
00135 
00136 void define_species_data()
00137 {
00138   define_basic_species_data();
00139   define_partition_species_data();
00140 }
00141 
00142 
00143 void define_basic_species_data()
00144 {
00145   extern Array<SpeciesRecord> species_data;
00146 
00147   // Initialize to zero, just in case:
00148   species_data.resize(0);
00149 
00150   /* Here's an empty template record entry:
00151 
00152   species_data.push_back
00153     ( SpeciesRecord
00154       ( NAME("H2O"),
00155         DEGFR(3),
00156         ISOTOPES
00157         (//   Name,     Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00158          //             |               |       |       |       |
00159          REC( ""        ,               ,       ,       ,       ,TAGS() ),
00160          REC( ""        ,               ,       ,       ,       ,TAGS() )
00161          ) ) );
00162 
00163   For good looks, keep the commas on the marks!
00164 
00165   */
00166 
00167 
00168   // H2O
00169   // Isotopic Ratio: 1 1 1 1 1 1 3 
00170   //
00171   // Some tags relate to empirical continuum correction terms. Thomas,
00172   // this would be the place to add additional continuum tags, should
00173   // this be necessary. Continuum tags must come after the other tags
00174   // and have -1 for all data entries, like in my example below. Not
00175   // even the isotipic ratio is used for continuum tags.
00176   //
00177   // The isotopic ratio of -1 is used to identify continuum tags in
00178   // the absorption routines!
00179   // 
00180   // You also have to change the entry in the file
00181   // partition_function_data.cc consistently! 
00182   //
00183   // 2001-05-30 Stefan Buehler: 
00184   // - Added isotope 172 (HITRAN 2000 tag 16)
00185   // - Gave HITRAN tag 15 to isotope 182, which was already in ARTS,
00186   //   but previously not in HITRAN. Changed isotopic ratio of this
00187   //   one to the HITRAN value, which is 6.23e-7, instead of the
00188   //   previous value of 6.11e-7.
00189   species_data.push_back
00190     ( SpeciesRecord
00191       ( NAME("H2O"),
00192         DEGFR(3),
00193         ISOTOPES
00194         (//   Name,             Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00195          //                     |               |       |       |       |
00196          REC( "161"             ,0.99731702     ,18.010565    ,11     ,11     ,TAGS(18003, 18005) ),
00197          REC( "181"             ,0.00199983     ,20.014811    ,12     ,12     ,TAGS(20003) ),
00198          REC( "171"             ,0.00037200     ,19.014780    ,13     ,13     ,TAGS(19003) ),
00199          REC( "162"             ,0.000310693     ,19.016740    ,14     ,14     ,TAGS(19002) ),
00200          REC( "182"             ,6.23003E-07    ,21.020985    ,-1     ,15     ,TAGS(21001) ),
00201          REC( "172"             ,1.15853E-07    ,20.020956    ,-1     ,16     ,TAGS()      ),
00202          REC( "262"             ,2.2430204E-08  ,20.000000    ,-1     ,-1     ,TAGS(20001) ),
00203          REC( "SelfContStandardType"    ,-1.    ,-1.    ,-1     ,-1     ,TAGS()      ),
00204          REC( "ForeignContStandardType" ,-1.    ,-1.    ,-1     ,-1     ,TAGS()      ),
00205          REC( "ForeignContMaTippingType",-1.    ,-1.    ,-1     ,-1     ,TAGS()      ), 
00206          REC( "ContMPM93"               ,-1.    ,-1.    ,-1     ,-1     ,TAGS()      ),
00207          REC( "SelfContCKDMT100"        ,-1.    ,-1.    ,-1     ,-1     ,TAGS()      ),
00208          REC( "ForeignContCKDMT100"     ,-1.    ,-1.    ,-1     ,-1     ,TAGS()      ),
00209          REC( "SelfContCKD222"          ,-1.    ,-1.    ,-1     ,-1     ,TAGS()      ),
00210          REC( "ForeignContCKD222"       ,-1.    ,-1.    ,-1     ,-1     ,TAGS()      ),
00211          REC( "SelfContCKD242"          ,-1.    ,-1.    ,-1     ,-1     ,TAGS()      ),
00212          REC( "ForeignContCKD242"       ,-1.    ,-1.    ,-1     ,-1     ,TAGS()      ),
00213          REC( "SelfContCKD24"           ,-1.    ,-1.    ,-1     ,-1     ,TAGS()      ),
00214          REC( "ForeignContCKD24"        ,-1.    ,-1.    ,-1     ,-1     ,TAGS()      ),
00215          REC( "ForeignContATM01"        ,-1.    ,-1.    ,-1     ,-1     ,TAGS()      ),
00216          REC( "CP98"                    ,-1.    ,-1.    ,-1     ,-1     ,TAGS()      ),
00217          REC( "MPM87"                   ,-1.    ,-1.    ,-1     ,-1     ,TAGS()      ),
00218          REC( "MPM89"                   ,-1.    ,-1.    ,-1     ,-1     ,TAGS()      ),
00219          REC( "MPM93"                   ,-1.    ,-1.    ,-1     ,-1     ,TAGS()      ),
00220          REC( "PWR98"                   ,-1.    ,-1.    ,-1     ,-1     ,TAGS()      )
00221          ) ) );
00222 
00223   // CO2 
00224   // (missing mainly in JPL, latest version (7/00) includes some isotopes)
00225   // Degrees of freedom from Schanda:`Physical Fundamentals of Remote Sensing'
00226   // Isotopic Ratios: 1 1 1 1 1 1 1 1
00227   species_data.push_back
00228     ( SpeciesRecord
00229       ( NAME("CO2"),
00230         DEGFR(2),
00231         ISOTOPES
00232         (//   Name,     Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00233          //             |               |       |       |       |
00234          REC( "626"     ,0.984204       ,43.989830    ,21     ,21     ,TAGS() ),
00235          REC( "636"     ,1.10574E-02    ,44.993185    ,22     ,22     ,TAGS() ),
00236          REC( "628"     ,3.94707E-03    ,45.994076    ,23     ,23     ,TAGS(46013) ),
00237          REC( "627"     ,7.33989E-04   ,44.994045    ,24     ,24     ,TAGS(45012) ),
00238          REC( "638"     ,4.43446E-05   ,46.997431    ,25     ,25     ,TAGS() ),
00239          REC( "637"     ,8.24623E-06   ,45.997400    ,26     ,26     ,TAGS() ),
00240          REC( "828"     ,3.95734E-06   ,47.998322    ,27     ,27     ,TAGS() ),
00241          REC( "728"     ,1.47180E-06   ,46.998291    ,28     ,28     ,TAGS() ),
00242          REC( "CKD241"           ,-1.    ,-1.    ,-1     ,-1     ,TAGS()),
00243          REC( "CKDMT100"         ,-1.    ,-1.    ,-1     ,-1     ,TAGS()),
00244          REC( "SelfContPWR93"    ,-1.    ,-1.    ,-1     ,-1     ,TAGS()),
00245          REC( "ForeignContPWR93" ,-1.    ,-1.    ,-1     ,-1     ,TAGS())
00246          ) ) );
00247   
00248 
00249   // O3
00250   // Isotopic Ratios: 1 1 1 1 1
00251   species_data.push_back
00252     ( SpeciesRecord
00253       ( NAME("O3"),
00254         DEGFR(3),
00255         ISOTOPES
00256         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00257          //             |               |       |       |       |
00258          REC("666"      ,.992901E+00     ,47.984745    ,31     ,31     ,TAGS(48004, 48005, 48006, 48007, 48008)),
00259          REC("668"      ,3.98194E-03     ,49.988991    ,32     ,32     ,TAGS(50004, 50006)),
00260          REC("686"      ,1.99097E-03     ,49.988991    ,33     ,33     ,TAGS(50003, 50005)),
00261          REC("667"      ,7.40475E-04     ,48.988960    ,34     ,34     ,TAGS(49002)),
00262          REC("676"      ,3.70237E-04     ,48.988960    ,35     ,35     ,TAGS(49001))
00263          ) ) );
00264 
00265 
00266   // N2O
00267   // Isotopic Ratios: 1 1 1 1 1
00268   species_data.push_back
00269     ( SpeciesRecord
00270       ( NAME("N2O"),
00271         DEGFR(2),
00272         ISOTOPES
00273         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00274          //             |               |       |       |       |
00275          REC("446"      ,.990333E+00    ,44.001062    ,41     ,41     ,TAGS(44004, 44009, 44012)),
00276          REC("456"      ,3.64093E-03    ,44.998096    ,42     ,42     ,TAGS(45007)),
00277          REC("546"      ,3.64093E-03    ,44.998096    ,43     ,43     ,TAGS(45008)),
00278          REC("448"      ,1.98582E-03    ,46.005308    ,44     ,44     ,TAGS(46007)),
00279          REC("447"      ,3.69280E-04    ,45.005278    ,-1     ,45     ,TAGS() )
00280          ) ) );
00281 
00282   // CO
00283   // Isotopic Ratios: 1 1 1 1 1 1
00284   species_data.push_back
00285     ( SpeciesRecord
00286       ( NAME("CO"),
00287         DEGFR(2),
00288         ISOTOPES
00289         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00290          //             |               |       |       |       |
00291          REC("26"       , .986544E+00      ,27.994915    ,51     ,51     ,TAGS(28001)),
00292          REC("36"       , 1.10836E-02      ,28.998270    ,52     ,52     ,TAGS(29001)),
00293          REC("28"       , 1.97822E-03      ,29.999161    ,53     ,53     ,TAGS(30001)),
00294          REC("27"       , 3.67867E-04      ,28.999130    ,-1     ,54     ,TAGS(29006)),
00295          REC("38"       , 2.22250E-05      ,31.002516    ,-1     ,55     ,TAGS() ),
00296          REC("37"       , 4.13292E-06      ,30.002485    ,-1     ,56     ,TAGS() )
00297          ) ) );
00298 
00299   // CH4
00300   // Degrees of freedom: jpl catalogue
00301   // Isotopic Ratios: 1 1 1
00302   // Note: - jpl isotopic ratio for tag 17003: 0.00014996848
00303   //       - CH4 is in official mytran list (6), but does not 
00304   //         seem to be included for calculation, as given
00305   //         by table tag_table in file glob_def.c
00306   species_data.push_back
00307     ( SpeciesRecord
00308       ( NAME("CH4"),
00309         DEGFR(3),
00310         ISOTOPES
00311         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00312          //             |               |       |       |       |
00313          REC("211"      ,.988274E+00     ,16.031300    ,-1     ,61     ,TAGS()),
00314          REC("311"      ,1.11031E-02     ,17.034655    ,-1     ,62     ,TAGS()),
00315          REC("212"      ,6.15751E-04     ,17.037475    ,-1     ,63     ,TAGS(17003))
00316          ) ) );
00317 
00318   // O2
00319   // Isotopic Ratios: 1 1 1
00320   species_data.push_back
00321     ( SpeciesRecord
00322       ( NAME("O2"),
00323         DEGFR(2),
00324         ISOTOPES
00325         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00326          //             |               |       |       |       |
00327          REC("66"       , .995262E+00     ,31.989830    ,71     ,71     ,TAGS(32001, 32002)),
00328          REC("68"       , 3.99141E-03     ,33.994076    ,72     ,72     ,TAGS(34001)),
00329          REC("67"       , 7.42235E-04     ,32.994045    ,73     ,73     ,TAGS(33002)),
00330          REC( "CIAfunCKDMT100"  ,-1.    ,-1.    ,-1     ,-1     ,TAGS()),
00331          REC( "v0v0CKDMT100"    ,-1.    ,-1.    ,-1     ,-1     ,TAGS()),
00332          REC( "v1v0CKDMT100"    ,-1.    ,-1.    ,-1     ,-1     ,TAGS()),
00333          REC( "SelfContStandardType"    ,-1.    ,-1.    ,-1     ,-1     ,TAGS()),
00334          REC( "SelfContMPM93"   ,-1.    ,-1.    ,-1     ,-1     ,TAGS()),
00335          REC( "SelfContPWR93"   ,-1.    ,-1.    ,-1     ,-1     ,TAGS()),
00336          REC( "PWR98"   ,-1.    ,-1.    ,-1     ,-1     ,TAGS()),
00337          REC( "PWR93"   ,-1.    ,-1.    ,-1     ,-1     ,TAGS()),
00338          REC( "PWR88"   ,-1.    ,-1.    ,-1     ,-1     ,TAGS()),
00339          REC( "MPM93"   ,-1.    ,-1.    ,-1     ,-1     ,TAGS()),
00340          REC( "MPM92"   ,-1.    ,-1.    ,-1     ,-1     ,TAGS()),
00341          REC( "MPM89"   ,-1.    ,-1.    ,-1     ,-1     ,TAGS()),
00342          REC( "MPM87"   ,-1.    ,-1.    ,-1     ,-1     ,TAGS()),
00343          REC( "MPM85"   ,-1.    ,-1.    ,-1     ,-1     ,TAGS())
00344          ) ) );
00345 
00346   // NO
00347   // Isotopic Ratios: 1 1 1
00348   species_data.push_back
00349     ( SpeciesRecord
00350       ( NAME("NO"),
00351         DEGFR(2),
00352         ISOTOPES
00353         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00354          //             |               |       |       |       |
00355          REC("46"       , .993974E+00    ,29.997989    ,81     ,81     ,TAGS(30008)),
00356          REC("56"       , 3.65431E-03    ,30.995023    ,-1     ,82     ,TAGS() ),
00357          REC("48"       , 1.99312E-03    ,32.002234    ,-1     ,83     ,TAGS() )
00358          ) ) );
00359 
00360   // SO2
00361   // Isotopic Ratios: 1 1 2 2
00362   species_data.push_back
00363     ( SpeciesRecord
00364       ( NAME("SO2"),
00365         DEGFR(3),
00366         ISOTOPES
00367         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00368          //             |               |       |       |       |
00369          REC("626"      ,.945678E+00    ,63.961901    ,91     ,91     ,TAGS(64002, 64005)),
00370          REC("646"      ,4.19503E-02    ,65.957695    ,92     ,92     ,TAGS(66002)),
00371          REC("636"      ,0.0074989421   ,65.00        ,93     ,-1     ,TAGS(65001)),
00372          REC("628"      ,0.0020417379   ,66.00        ,94     ,-1     ,TAGS(66004))  
00373          ) ) );
00374 
00375   // NO2
00376   // Isotopic Ratios: 1
00377   species_data.push_back
00378     ( SpeciesRecord
00379       ( NAME("NO2"),
00380         DEGFR(3),
00381         ISOTOPES
00382         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00383          //             |               |       |       |       |
00384          REC("646"      ,.991616E+00      ,45.992904    ,101    ,101    ,TAGS(46006))
00385          ) ) );
00386 
00387   // NH3
00388   // Isotopic Ratios: 1 1 3
00389   species_data.push_back
00390     ( SpeciesRecord
00391       ( NAME("NH3"),
00392         DEGFR(3),
00393         ISOTOPES
00394         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00395          //             |               |       |       |       |
00396          REC("4111"     ,.9958715E+00    ,17.026549    ,111    ,111    ,TAGS(17002, 17004)),
00397          REC("5111"     ,3.66129E-03    ,18.023583    ,112    ,112    ,TAGS(18002)),
00398          REC("4112"     ,0.00044792294  ,18.00        ,-1     ,-1     ,TAGS(18004))
00399          ) ) );
00400 
00401   // HNO3
00402   // Isotopic Ratios: 1
00403   species_data.push_back
00404     ( SpeciesRecord
00405       ( NAME("HNO3"),
00406         DEGFR(3),
00407         ISOTOPES
00408         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00409          //             |               |       |       |       |
00410          REC("146"      ,0.989110       ,62.995644    ,121    ,121    ,TAGS(63001, 63002, 63003, 63004, 63005, 63006))
00411          ) ) );
00412 
00413   // OH
00414   // Isotopic Ratios: 1 1 1
00415   species_data.push_back
00416     ( SpeciesRecord
00417       ( NAME("OH"),
00418         DEGFR(2),
00419         ISOTOPES
00420         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00421          //             |               |       |       |       |
00422          REC("61"       ,.997473E+00    ,17.002740    ,131    ,131    ,TAGS(17001)),
00423          REC("81"       ,2.00014E-03    ,19.006986    ,132    ,132    ,TAGS(19001)),
00424          REC("62"       ,1.55371E-04    ,18.008915    ,133    ,133    ,TAGS(18001))
00425          ) ) );
00426 
00427   // HF
00428   // Isotopic Ratios: 1 3
00429   species_data.push_back
00430     ( SpeciesRecord
00431       ( NAME("HF"),
00432         DEGFR(2),
00433         ISOTOPES
00434         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00435          //             |               |       |       |       |
00436          REC("19"       ,0.99984425     ,20.006229    ,141    ,141    ,TAGS(20002)),
00437          REC("29"       ,0.00014994513  ,21.00        ,-1     ,-1     ,TAGS(21002))
00438          ) ) );
00439 
00440   // HCl
00441   // Isotopic Ratios: 1 1 2 2
00442   species_data.push_back
00443     ( SpeciesRecord
00444       ( NAME("HCl"),
00445         DEGFR(2),
00446         ISOTOPES
00447         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00448          //             |               |       |       |       |
00449          REC("15"       ,0.757587       ,35.976678    ,151    ,151    ,TAGS(36001)),
00450          REC("17"       ,0.242257       ,37.973729    ,152    ,152    ,TAGS(38001)),
00451          REC("25"       ,0.00011324004  ,37.00        ,-1     ,-1     ,TAGS(37001)),
00452          REC("27"       ,3.6728230E-05  ,39.00        ,-1     ,-1     ,TAGS(39004))
00453          ) ) );
00454 
00455   // HBr
00456   // Isotopic Ratios: 1 1
00457   species_data.push_back
00458     ( SpeciesRecord
00459       ( NAME("HBr"),
00460         DEGFR(2),
00461         ISOTOPES
00462         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00463          //             |               |       |       |       |
00464          REC("19"       ,0.506781        ,79.926160    ,161    ,161    ,TAGS(80001)),
00465          REC("11"       ,0.493063        ,81.924115    ,162    ,162    ,TAGS(82001))
00466          ) ) );
00467 
00468   // HI
00469   // Degrees of freedom: guessed, since it seems to be linear
00470   // Isotopic Ratios: 1
00471   // Note: HI is in official mytran list (17), but does not 
00472   //       seem to be included for calculation, as given
00473   //       by table tag_table in file glob_def.c
00474 
00475   species_data.push_back
00476     ( SpeciesRecord
00477       ( NAME("HI"),
00478         DEGFR(2),
00479         ISOTOPES
00480         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00481          //             |               |       |       |       |
00482          REC("17"       ,0.99984425     ,127.912297   ,-1     ,171    ,TAGS( ))
00483          ) ) );
00484 
00485   // ClO
00486   // Isotopic Ratios: 1 1
00487   species_data.push_back
00488     ( SpeciesRecord
00489       ( NAME("ClO"),
00490         DEGFR(2),
00491         ISOTOPES
00492         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00493          //             |               |       |       |       |
00494          REC("56"       ,.755908E+00       ,50.963768    ,181    ,181    ,TAGS(51002, 51003)),
00495          REC("76"       ,.241720E+00       ,52.960819    ,182    ,182    ,TAGS(53002, 53006))
00496          ) ) );
00497 
00498   // OCS
00499   // Isotopic Ratios: 1 1 1 1 1
00500   // Note: OCS-623 is new in Hitran 2000, and it is not the at least
00501   // abundant isotope. So what actually happend with the following
00502   // one, is that numbers changed in the hitran edition? I had a
00503   // look at the two editions, and they actually changed them, stupid
00504   // idiots. So what used to be 194 (hitran 96) is now 195 (hitran
00505   // 2000). This messes up the whole concept of reading a catalogue,
00506   // because the species depends now on the edition of the
00507   // catalogue.
00508   species_data.push_back
00509     ( SpeciesRecord
00510       ( NAME("OCS"),
00511         DEGFR(2),
00512         ISOTOPES
00513         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00514          //             |               |       |       |       |
00515          REC("622"      ,.937395E+00     ,59.966986    ,191    ,191    ,TAGS(60001)),
00516          REC("624"      ,4.15828E-02     ,61.962780    ,192    ,192    ,TAGS(62001)),
00517          REC("632"      ,1.05315E-02     ,60.970341    ,193    ,193    ,TAGS(61001)),
00518          REC("623"      ,7.39908E-03     ,60.966371    ,194    ,194    ,TAGS( )),
00519          REC("822"      ,1.87967E-03     ,61.971231    ,195    ,195    ,TAGS(62002))
00520          ) ) );
00521 
00522   // H2CO
00523   // Isotopic Ratios: 1 1 1 3 3
00524   // Note: the isotope names differ from hitran convention, since the jpl catalogue has 
00525   //       isotopes HHCO, HDCO, DDCO.
00526   //       hitran convention  --  new convention  -- jpl species
00527   //              126                 1126             H2CO
00528   //              136                 1136             H2C-13-O
00529   //              128                 1128             H2CO-18
00530   //               -                  1226             HDCO
00531   //               -                  2226             D2CO
00532   species_data.push_back
00533     ( SpeciesRecord
00534       ( NAME("H2CO"),
00535         DEGFR(3),
00536         ISOTOPES
00537         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00538          //             |               |       |       |       |
00539          REC("1126"     ,.986237E+00    ,30.010565    ,201    ,201    ,TAGS(30004)),
00540          REC("1136"     ,1.10802E-02    ,31.013920    ,202    ,202    ,TAGS(31002)),
00541          REC("1128"     ,1.97761E-03    ,32.014811    ,203    ,203    ,TAGS(32004)),
00542          REC("1226"     ,0.00029578940  ,31.00        ,-1     ,-1     ,TAGS(31003)),
00543          REC("2226"     ,2.2181076E-08  ,32.00        ,-1     ,-1     ,TAGS(32006))
00544          ) ) );
00545 
00546   // HOCl
00547   // Isotopic Ratios: 1 1
00548   species_data.push_back
00549     ( SpeciesRecord
00550       ( NAME("HOCl"),
00551         DEGFR(3),
00552         ISOTOPES
00553         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00554          //             |               |       |       |       |
00555          REC("165"      ,.755790E+00       ,51.971593    ,211    ,211    ,TAGS(52006)),
00556          REC("167"      ,.241683E+00       ,53.968644    ,212    ,212    ,TAGS(54005))
00557          ) ) );
00558 
00559   // N2
00560   // Degrees of freedom: guessed, since it seems to be linear
00561   // Isotopic Ratios: 1
00562   // Note: N2 is in official mytran list (22), but does not 
00563   //       seem to be included for calculation, as given
00564   //       by table tag_table in file glob_def.c
00565   species_data.push_back
00566     ( SpeciesRecord
00567       ( NAME("N2"),
00568         DEGFR(2),
00569         ISOTOPES
00570         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00571          //             |               |       |       |       |
00572          REC("44"       ,0.9926874      ,28.006147    ,-1     ,221    ,TAGS( )),
00573          REC( "SelfContMPM93"           ,-1.    ,-1.    ,-1     ,-1     ,TAGS()),
00574          REC( "SelfContPWR93"           ,-1.    ,-1.    ,-1     ,-1     ,TAGS()),
00575          REC( "SelfContStandardType"    ,-1.    ,-1.    ,-1     ,-1     ,TAGS()),
00576          REC( "SelfContBorysow"         ,-1.    ,-1.    ,-1     ,-1     ,TAGS()),
00577          REC( "CIArotCKDMT100"          ,-1.    ,-1.    ,-1     ,-1     ,TAGS()),
00578          REC( "CIAfunCKDMT100"          ,-1.    ,-1.    ,-1     ,-1     ,TAGS()),
00579          REC( "DryContATM01"            ,-1.    ,-1.    ,-1     ,-1     ,TAGS())
00580          ) ) );
00581 
00582   // HCN
00583   // Isotopic Ratios: 1 1 1 3
00584   species_data.push_back
00585     ( SpeciesRecord
00586       ( NAME("HCN"),
00587         DEGFR(3),
00588         ISOTOPES
00589         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00590          //             |               |       |       |       |
00591          REC("124"      ,.985114E+00      ,27.010899    ,231    ,231    ,TAGS(27001, 27003)),
00592          REC("134"      ,1.10676E-02      ,28.014254    ,232    ,232    ,TAGS(28002)),
00593          REC("125"      ,3.62174E-03      ,28.007933    ,233    ,233    ,TAGS(28003)),
00594          REC("224"      ,0.00014773545  ,28.00        ,-1     ,-1     ,TAGS(28004))
00595          ) ) );
00596 
00597   // CH3Cl
00598   // Isotopic Ratios: 1 1
00599   species_data.push_back
00600     ( SpeciesRecord
00601       ( NAME("CH3Cl"),
00602         DEGFR(3),
00603         ISOTOPES
00604         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00605          //             |               |       |       |       |
00606          REC("215"      ,.748937E+00        ,49.992328    ,241    ,241    ,TAGS(50007)),
00607          REC("217"      ,.239491E+00        ,51.989379    ,242    ,242    ,TAGS(52009))
00608          ) ) );
00609 
00610   // H2O2
00611   // Isotopic Ratios: 1
00612   species_data.push_back
00613     ( SpeciesRecord
00614       ( NAME("H2O2"),
00615         DEGFR(3),
00616         ISOTOPES
00617         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00618          //             |               |       |       |       |
00619          REC("1661"     ,.994952E+00       ,34.005480    ,251    ,251    ,TAGS(34004))
00620          ) ) );
00621 
00622   // C2H2
00623   // Degrees of freedom: guessed, since it seems to be non linear
00624   // Isotopic Ratios: 1 1
00625   // Note: C2H2 is in official mytran list (26), but does not 
00626   //       seem to be included for calculation, as given
00627   //       by table tag_table in file glob_def.c
00628   species_data.push_back
00629     ( SpeciesRecord
00630       ( NAME("C2H2"),
00631         DEGFR(3),
00632         ISOTOPES
00633         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00634          //             |               |       |       |       |
00635          REC("1221"     ,.977599E+00       ,26.015650    ,-1     ,261    ,TAGS( )),
00636          REC("1231"     ,2.19663E-02       ,27.019005    ,-1     ,262    ,TAGS( ))
00637          ) ) );
00638 
00639   // C2H6
00640   // Degrees of freedom: guessed, since it seems to be non linear
00641   // Isotopic Ratios: 1
00642   // Note: C2H6 is in official mytran list (27), but does not 
00643   //       seem to be included for calculation, as given
00644   //       by table tag_table in file glob_def.c
00645   species_data.push_back
00646     ( SpeciesRecord
00647       ( NAME("C2H6"),
00648         DEGFR(3),
00649         ISOTOPES
00650         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00651          //             |               |       |       |       |
00652          REC("1221"     ,.976990E+00        ,30.046950    ,-1     ,271    ,TAGS( ))
00653          ) ) );
00654 
00655   // PH3
00656   // Isotopic Ratios: 1
00657   species_data.push_back
00658     ( SpeciesRecord
00659       ( NAME("PH3"),
00660         DEGFR(3),
00661         ISOTOPES
00662         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00663          //             |               |       |       |       |
00664          REC("1111"     ,0.99953283     ,33.997238    ,281    ,281    ,TAGS(34003))
00665          ) ) );
00666 
00667   // COF2
00668   // Isotopic Ratios: 1
00669   species_data.push_back
00670     ( SpeciesRecord
00671       ( NAME("COF2"),
00672         DEGFR(3),
00673         ISOTOPES
00674         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00675          //             |               |       |       |       |
00676          REC("269"      ,.986544E+00        ,65.991722    ,291    ,291    ,TAGS(66001))
00677          ) ) );
00678 
00679   // SF6
00680   // Degrees of freedom: guessed, since it seems to be non linear
00681   // Isotopic Ratios: 1
00682   // Note: SF6 is in official mytran list (30), but does not 
00683   //       seem to be included for calculation, as given
00684   //       by table tag_table in file glob_def.c
00685   species_data.push_back
00686     ( SpeciesRecord
00687       ( NAME("SF6"),
00688         DEGFR(3),
00689         ISOTOPES
00690         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00691          //             |               |       |       |       |
00692          REC("29"       ,0.95018        ,145.962492   ,-1     ,301    ,TAGS( ))
00693          ) ) );
00694 
00695   // H2S
00696   // Isotopic Ratios: 1 1 1 2
00697   species_data.push_back
00698     ( SpeciesRecord
00699       ( NAME("H2S"),
00700         DEGFR(3),
00701         ISOTOPES
00702         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00703          //             |               |       |       |       |
00704          REC("121"      ,.949884E+00    ,33.987721    ,311    ,311    ,TAGS(34002)),
00705          REC("141"      ,4.21369E-02    ,35.983515    ,-1     ,312    ,TAGS( )),
00706          REC("131"      ,7.49766E-03    ,34.987105    ,-1     ,313    ,TAGS( )),
00707          REC("122"      ,0.00029991625  ,35.00        ,-1     ,-1     ,TAGS(35001))
00708          ) ) );
00709 
00710   // HCOOH
00711   // Isotopic Ratios: 1 3 3 3
00712   // Note: the isotope names differ from hitran convention, since the jpl catalogue has 
00713   //       isotopes HCOOH, HC-13-OOH, DCOOH, HCOOD
00714   //       hitran convention  --  new convention  -- jpl species
00715   //              126                 1261             HCOOH
00716   //               -                  1361             HC-13-OOH
00717   //               -                  2261             DCOOH
00718   //               -                  1262             HCOOD
00719   species_data.push_back
00720     ( SpeciesRecord
00721       ( NAME("HCOOH"),
00722         DEGFR(3),
00723         ISOTOPES
00724         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00725          //             |               |       |       |       |
00726          REC("1261"     ,0.983898E+00   ,46.005480    ,321    ,321    ,TAGS(46005)),
00727          REC("1361"     ,0.010913149    ,47.00        ,-1     ,-1     ,TAGS(47002)),
00728          REC("2261"     ,0.00014755369  ,47.00        ,-1     ,-1     ,TAGS(47003)),
00729          REC("1262"     ,0.00014755369  ,47.00        ,-1     ,-1     ,TAGS(47004))
00730          ) ) );
00731 
00732   // HO2
00733   // Isotopic Ratios: 1
00734   species_data.push_back
00735     ( SpeciesRecord
00736       ( NAME("HO2"),
00737         DEGFR(3),
00738         ISOTOPES
00739         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00740          //             |               |       |       |       |
00741          REC("166"      ,0.995107       ,32.997655    ,331    ,331    ,TAGS(33001))
00742          ) ) );
00743 
00744   // O
00745   // Isotopic Ratios: 1
00746   species_data.push_back
00747     ( SpeciesRecord
00748       ( NAME("O"),
00749         DEGFR(0),
00750         ISOTOPES
00751         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00752          //             |               |       |       |       |
00753          REC("6"        ,0.997628       ,15.994915    ,341    ,341    ,TAGS(16001))
00754          ) ) );
00755 
00756   // ClONO2
00757   // Isotopic Ratios: 1 1
00758   // Note: ClONO2 in hitran is identical to ClNO3 in jpl (according to Johannes Orphal)
00759   species_data.push_back
00760     ( SpeciesRecord
00761       ( NAME("ClONO2"),
00762         DEGFR(3),
00763         ISOTOPES
00764         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00765          //             |               |       |       |       |
00766          REC("5646"     ,.749570E+00        ,96.956672    ,351    ,351    ,TAGS(97002)),
00767          REC("7646"     ,.239694E+00        ,98.953723    ,352    ,352    ,TAGS(99001))
00768          ) ) );
00769 
00770   // NO+
00771   // Degrees of freedom: guessed, since it seems to be linear
00772   // Isotopic Ratios: 1
00773   // Note: NO+ is in official mytran list (36), but does not 
00774   //       seem to be included for calculation, as given
00775   //       by table tag_table in file glob_def.c
00776   species_data.push_back
00777     ( SpeciesRecord
00778       ( NAME("NO+"),
00779         DEGFR(2),
00780         ISOTOPES
00781         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00782          //             |               |       |       |       |
00783          REC("46"       ,0.993974       ,29.997989    ,-1     ,361    ,TAGS(30011))
00784          ) ) );
00785 
00786   // OClO
00787   // Isotopic Ratios: 2 2
00788   species_data.push_back
00789     ( SpeciesRecord
00790       ( NAME("OClO"),
00791         DEGFR(3),
00792         ISOTOPES
00793         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00794          //             |               |       |       |       |
00795          REC("656"      ,0.75509223     ,67.00    ,431    ,-1     ,TAGS(67001)),
00796          REC("676"      ,0.24490632     ,69.00    ,432    ,-1     ,TAGS(69001))
00797          ) ) );
00798 
00799   // BrO
00800   // Isotopic Ratios: 2 2
00801   species_data.push_back
00802     ( SpeciesRecord
00803       ( NAME("BrO"),
00804         DEGFR(2),
00805         ISOTOPES
00806         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00807          //             |               |       |       |       |
00808          REC("96"       ,0.50582466     ,95.00    ,401    ,-1     ,TAGS(95001)),
00809          REC("16"       ,0.49431069     ,97.00    ,402    ,-1     ,TAGS(97001))
00810          ) ) );
00811 
00812   // H2SO4
00813   // Isotopic Ratios: 2
00814   species_data.push_back
00815     ( SpeciesRecord
00816       ( NAME("H2SO4"),
00817         DEGFR(3),
00818         ISOTOPES
00819         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00820          //             |               |       |       |       |
00821          REC("126"      ,0.95060479     ,98.00    ,481    ,-1     ,TAGS(98001))
00822          ) ) );
00823 
00824   // Cl2O2
00825   // Isotopic Ratios: 2 2
00826   // Note: refered to as Cl2O2 in mytran catalogue, in jpl cat: ClOOCl
00827   species_data.push_back
00828     ( SpeciesRecord
00829       ( NAME("Cl2O2"),
00830         DEGFR(3),
00831         ISOTOPES
00832         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00833          //             |               |       |       |       |
00834          REC("565"      ,0.57016427     ,102.00   ,491    ,-1     ,TAGS(102001)),
00835          REC("765"      ,0.36982818     ,104.00   ,492    ,-1     ,TAGS(104001))
00836          ) ) );
00837 
00838   // HOBr
00839   // Isotopic Ratios: 1 1
00840   // Note: latest addtion to Hitran 2000, DEGFR guessed
00841   species_data.push_back
00842     ( SpeciesRecord
00843       ( NAME("HOBr"),
00844         DEGFR(3),
00845         ISOTOPES
00846         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00847          //             |               |       |       |       |
00848          REC("169"      ,.505579E+00    ,95.921076    ,371    ,371    ,TAGS(96001)),
00849          REC("161"      ,.491894E+00    ,97.919027    ,372    ,372    ,TAGS(98002))
00850          ) ) );
00851 
00852   // C2H4
00853   // Isotopic Ratios: 1 1
00854   // Note: latest addtion to Hitran 2000, DEGFR guessed
00855   species_data.push_back
00856     ( SpeciesRecord
00857       ( NAME("C2H4"),
00858         DEGFR(3),
00859         ISOTOPES
00860         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00861          //             |               |       |       |       |
00862          REC("221"      ,.977294E+00    ,28.031300    ,-1     ,381    ,TAGS( )),
00863          REC("231"      ,.219595E-01    ,29.034655    ,-1     ,382    ,TAGS( ))
00864          ) ) );
00865 
00866   // CH3CN
00867   // Isotopic Ratios: 2 2 2 2 2
00868   // Note: Isotopic ratio of 1.0 was found in JPL catalogue for main, 
00869   // isotope, the value given here is determinded by subtracting the other
00870   // isotopic ratios found in JPL from 1.0
00871   species_data.push_back
00872     ( SpeciesRecord
00873       ( NAME("CH3CN"),
00874         DEGFR(3),
00875         ISOTOPES
00876         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00877          //             |               |       |       |       |
00878          REC("211124"   ,0.97366840     ,41.00    ,-1     ,-1     ,TAGS(41001)),
00879          REC("311124"   ,0.011091748    ,42.00    ,-1     ,-1     ,TAGS(42006)),
00880          REC("211134"   ,0.011091748    ,42.00    ,-1     ,-1     ,TAGS(42007)),
00881          REC("211125"   ,0.0036982817   ,42.00    ,-1     ,-1     ,TAGS(42001)),
00882          REC("211224"   ,0.00044977985  ,42.00    ,-1     ,-1     ,TAGS(42008))
00883          ) ) );
00884 
00885   // HNC
00886   // Isotopic Ratios: 2 2 2 2
00887   // Note: Isotopic ratio of 1.0 was found in JPL catalogue for main, 
00888   // isotope, the value given here is determinded by subtracting the other
00889   // isotopic ratios found in JPL from 1.0
00890   species_data.push_back
00891     ( SpeciesRecord
00892       ( NAME("HNC"),
00893         DEGFR(2),
00894         ISOTOPES
00895         (//  Name,      Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00896          //             |               |       |       |       |
00897          REC("142"      ,0.98505998     ,27.00    ,-1     ,-1     ,TAGS(27002)),
00898          REC("143"      ,0.011091748    ,28.00    ,-1     ,-1     ,TAGS(28005)),
00899          REC("152"      ,0.0036982817   ,28.00    ,-1     ,-1     ,TAGS(28006)),
00900          REC("242"      ,0.00014996849  ,28.00    ,-1     ,-1     ,TAGS(28007))
00901          ) ) );
00902 
00903 
00904   // You also have to change the entry in the file
00905   // partition_function_data.cc consistently! 
00906   species_data.push_back
00907     ( SpeciesRecord
00908       ( NAME("liquidcloud"),
00909         DEGFR(0),
00910         ISOTOPES
00911         (//   Name,             Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00912          //                     |               |       |       |       |
00913          REC( "MPM93"   ,-1.            ,-1.    ,-1     ,-1     ,TAGS())
00914          ) ) );
00915 
00916   // You also have to change the entry in the file
00917   // partition_function_data.cc consistently! 
00918   species_data.push_back
00919     ( SpeciesRecord
00920       ( NAME("icecloud"),
00921         DEGFR(0),
00922         ISOTOPES
00923         (//   Name,             Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00924          //                     |               |       |       |       |
00925          REC( "MPM93"           ,-1.    ,-1.    ,-1     ,-1     ,TAGS()      )
00926          ) ) );
00927 
00928   // You also have to change the entry in the file
00929   // partition_function_data.cc consistently! 
00930   species_data.push_back
00931     ( SpeciesRecord
00932       ( NAME("rain"),
00933         DEGFR(0),
00934         ISOTOPES
00935         (//   Name,             Isotopic Ratio, Mass,   MY-tag, HI-tag, JPL-tag
00936          //                     |               |       |       |       |
00937          REC( "MPM93"           ,-1.    ,-1.    ,-1     ,-1     ,TAGS()      )
00938          ) ) );
00939 
00940 }