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Commit 38347a99 authored by mendrok's avatar mendrok
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* ARTS-XML-DATA-2-2-3

	* spectroscopy/Perrin/[C2H2,CH3Cl,ClO,H2,HBr,HCOOH,HI,HNO3,HOBr,HOCl,N2,
	NO,NO2,OH].xml.gz:
	Updated from-HITRAN-data to HITRAN2012 edition (several before-empty
	data now with lines reported in THz region).

	* spectroscopy/Perrin/[C4H2,CS,HC3N,SO3].xml.gz:
	Added. New HITRAN species with THz lines.

	* spectroscopy/Perrin/[C2H4,CF4,CH3Br,CH3CN,ClONO2,NO+].xml.gz:
	Removed due to no (THz) line and no profile data (yet).

	* spectroscopy/Perrin/ExtractFromHITRAN.arts:
	Added. ARTS controlfile to create linelists from HITRAN data.

	* spectroscopy/Perrin/README: Updated according to above changes.

	* planets/[Venus,Mars,Jupiter]/isotopratio_[Venus,Mars,Jupiter].xml:
	Update for iso-data changes in HITRAN (first minor isotopologue
	abundances now explicitly given) and builtin ARTS data.

	* planets/aux/isotopologue_ratios/GetEarthIso.arts:
	Added. ARTS controlfile to extract ARTS built-in isotopologue data (for
	further	calculation of planet isotopologue ratios).

	* planets/aux/isotopologue_ratios/isotopratios.py:
	In calculating backup Earth N and H isotope ratios from N2 and H2 apply
	available major AND minor isotopologue(s).



git-svn-id: https://radiativetransfer.org/svn/rt/arts-xml-data/branches/arts-xml-data-2.2@9327 aaf1aab0-4228-0410-ad68-8dceda47f409
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with 146 additions and 18 deletions
2014-04-07 Jana Mendrok <jana.mendrok@ltu.se>
* ARTS-XML-DATA-2-2-3
* spectroscopy/Perrin/[C2H2,CH3Cl,ClO,H2,HBr,HCOOH,HI,HNO3,HOBr,HOCl,N2,
NO,NO2,OH].xml.gz:
Updated from-HITRAN-data to HITRAN2012 edition (several before-empty
data now with lines reported in THz region).
* spectroscopy/Perrin/[C4H2,CS,HC3N,SO3].xml.gz:
Added. New HITRAN species with THz lines.
* spectroscopy/Perrin/[C2H4,CF4,CH3Br,CH3CN,ClONO2,NO+].xml.gz:
Removed due to no (THz) line and no profile data (yet).
* spectroscopy/Perrin/ExtractFromHITRAN.arts:
Added. ARTS controlfile to create linelists from HITRAN data.
* spectroscopy/Perrin/README: Updated according to above changes.
* planets/[Venus,Mars,Jupiter]/isotopratio_[Venus,Mars,Jupiter].xml:
Update for iso-data changes in HITRAN (first minor isotopologue
abundances now explicitly given) and builtin ARTS data.
* planets/aux/isotopologue_ratios/GetEarthIso.arts:
Added. ARTS controlfile to extract ARTS built-in isotopologue data (for
further calculation of planet isotopologue ratios).
* planets/aux/isotopologue_ratios/isotopratios.py:
In calculating backup Earth N and H isotope ratios from N2 and H2 apply
available major AND minor isotopologue(s).
2014-04-07 Jana Mendrok <jana.mendrok@ltu.se>
* ARTS-XML-DATA-2-2-2
* spectroscopy/Perrin/*.xml.gz:
Updated from-HITRAN-data to HITRAN2012. Added files for new HITRAN
species. Removed empty line files (except those required because they
are broadening species. namely He) to avoid silent miss of lines (for
species that have lines. just not in HITRAN and the Perrin database).
2014-08-28 Oliver Lemke <olemke@core-dump.info> 2014-08-28 Oliver Lemke <olemke@core-dump.info>
* ARTS-XML-DATA-2-2-1 * ARTS-XML-DATA-2-2-1
......
...@@ -120,8 +120,8 @@ ...@@ -120,8 +120,8 @@
@ H2CO-2226 6.669066e-10 @ H2CO-2226 6.669066e-10
@ HOCl-165 7.558837e-01 @ HOCl-165 7.558837e-01
@ HOCl-167 2.417130e-01 @ HOCl-167 2.417130e-01
@ N2-44 9.955459e-01 @ N2-44 9.956935e-01
@ N2-45 4.479957e-03 @ N2-45 4.480621e-03
@ N2-SelfContMPM93 nan @ N2-SelfContMPM93 nan
@ N2-SelfContPWR93 nan @ N2-SelfContPWR93 nan
@ N2-SelfContStandardType nan @ N2-SelfContStandardType nan
...@@ -196,8 +196,8 @@ ...@@ -196,8 +196,8 @@
@ SO-46 0.0420727 @ SO-46 0.0420727
@ SO-28 0.00194089 @ SO-28 0.00194089
@ C3H8-21 9.672486e-01 @ C3H8-21 9.672486e-01
@ H2-11 9.999594e-01 @ H2-11 9.999475e-01
@ H2-12 5.199789e-05 @ H2-12 5.199727e-05
@ H-1 1 @ H-1 1
@ He-4 1 @ He-4 1
@ Ar-8 1 @ Ar-8 1
......
...@@ -120,8 +120,8 @@ ...@@ -120,8 +120,8 @@
@ H2CO-2226 6.462605e-07 @ H2CO-2226 6.462605e-07
@ HOCl-165 7.552916e-01 @ HOCl-165 7.552916e-01
@ HOCl-167 2.415236e-01 @ HOCl-167 2.415236e-01
@ N2-44 9.887273e-01 @ N2-44 9.888739e-01
@ N2-45 1.127149e-02 @ N2-45 1.127316e-02
@ N2-SelfContMPM93 nan @ N2-SelfContMPM93 nan
@ N2-SelfContPWR93 nan @ N2-SelfContPWR93 nan
@ N2-SelfContStandardType nan @ N2-SelfContStandardType nan
...@@ -196,8 +196,8 @@ ...@@ -196,8 +196,8 @@
@ SO-46 0.0420727 @ SO-46 0.0420727
@ SO-28 0.00194089 @ SO-28 0.00194089
@ C3H8-21 9.612035e-01 @ C3H8-21 9.612035e-01
@ H2-11 9.983934e-01 @ H2-11 9.983814e-01
@ H2-12 1.617397e-03 @ H2-12 1.617378e-03
@ H-1 1 @ H-1 1
@ He-4 1 @ He-4 1
@ Ar-8 1 @ Ar-8 1
......
...@@ -120,8 +120,8 @@ ...@@ -120,8 +120,8 @@
@ H2CO-2226 3.430044e-04 @ H2CO-2226 3.430044e-04
@ HOCl-165 7.418090e-01 @ HOCl-165 7.418090e-01
@ HOCl-167 2.372122e-01 @ HOCl-167 2.372122e-01
@ N2-44 0.9926874 @ N2-44 9.926870e-01
@ N2-45 0.00733 @ N2-45 7.478090e-03
@ N2-SelfContMPM93 nan @ N2-SelfContMPM93 nan
@ N2-SelfContPWR93 nan @ N2-SelfContPWR93 nan
@ N2-SelfContStandardType nan @ N2-SelfContStandardType nan
...@@ -196,8 +196,8 @@ ...@@ -196,8 +196,8 @@
@ SO-46 0.0420727 @ SO-46 0.0420727
@ SO-28 0.00194089 @ SO-28 0.00194089
@ C3H8-21 8.322139e-01 @ C3H8-21 8.322139e-01
@ H2-11 9.630672e-01 @ H2-11 9.630557e-01
@ H2-12 3.659655e-02 @ H2-12 3.659612e-02
@ H-1 1 @ H-1 1
@ He-4 1 @ He-4 1
@ Ar-8 1 @ Ar-8 1
......
Arts2{
isotopologue_ratiosInitFromBuiltin
WriteXML("ascii", isotopologue_ratios, "IRfromARTSBuiltin.xml")
}
...@@ -82,14 +82,14 @@ def IRSingSpec(ir,st,en,tags,d): ...@@ -82,14 +82,14 @@ def IRSingSpec(ir,st,en,tags,d):
print('N4/N5 from N2: %.3e' %dne) print('N4/N5 from N2: %.3e' %dne)
#(1a) - 15N/14N #(1a) - 15N/14N
#n = 1. #REPLACE permutational factor of N properly (equal the number of n = 2. #REPLACE permutational factor of N properly (equal the number of
# N-atoms that can be interchanged in position, e.g. 2 for N2) # N-atoms that can be interchanged in position, e.g. 2 for N2)
# in case of only one pair of main-isotope-minor-isotope isotopologue we can # in case of only one pair of main-isotope-minor-isotope isotopologue we can
# derive internal isotopic ratio from # derive internal isotopic ratio from
#miniso=-2 #common (if both H and N can be calculated) #miniso=-2 #common (if both H and N can be calculated)
#miniso=1 #if only N can be calculated, e.g. HNO3, N2 miniso=1 #if only N can be calculated, e.g. HNO3, N2
#dne = (1./n)*ir[miniso]/ir[0] #REPLACE indices properly dne = (1./n)*ir[miniso]/ir[0] #REPLACE indices properly
# in case there's more than one pair we take the mean # in case there's more than one pair we take the mean
#dne=N.mean(ir[1:3]/ir[0]) #N2O #dne=N.mean(ir[1:3]/ir[0]) #N2O
...@@ -165,11 +165,17 @@ def InitIR(infile='IRfromARTSBuiltin.xml'): ...@@ -165,11 +165,17 @@ def InitIR(infile='IRfromARTSBuiltin.xml'):
#get ARTS built-in data #get ARTS built-in data
tags=N.loadtxt(infile,comments='<',dtype=N.str) tags=N.loadtxt(infile,comments='<',dtype=N.str)
#inititialise D/H and 15N/14N from H2 and N2 (we don't want to do this over and over... #inititialise D/H and 15N/14N from H2 and N2 (we don't want to do this over and over...)
ir,st,en=getMolInfo('H2',tags,do_print=0) ir,st,en=getMolInfo('H2',tags,do_print=0)
d['dheh2'] = 1./N.sqrt(ir[0])-1. # from main isotopologue only
#d['dheh2'] = 1./N.sqrt(ir[0])-1.
# considering both isotopologues
d['dheh2'] = (1./2)*ir[1]/ir[0]
ir,st,en=getMolInfo('N2',tags,do_print=0) ir,st,en=getMolInfo('N2',tags,do_print=0)
d['dnen2'] = 1./N.sqrt(ir[0])-1. # from main isotopologue only
#d['dnen2'] = 1./N.sqrt(ir[0])-1.
# considering both isotopologues
d['dnen2'] = (1./2)*ir[1]/ir[0]
return tags, d return tags, d
......
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Arts2
{
StringCreate( hitranpath )
StringCreate( outpath )
StringCreate( hitranfile )
StringCreate( hitranlocation )
StringSet( hitranpath, "/storage3/data/catalogue/hitran/hitran2012/" )
StringSet( outpath, "hitran/" )
### species with <3THz transitions
abs_speciesSet( species=[
# 4 8 10 12 13 16 17 18 21 22 23
"N2O", "NO", "NO2", "HNO3", "OH", "HBr", "HI", "ClO", "HOCl", "N2", "HCN",
# 24 26 32 34 37 39 43 44 45 46
"CH3Cl", "C2H2", "HCOOH", "O", "HOBr", "CH3OH", "C4H2", "HC3N", "H2", "CS",
# 47
"SO3" ] )
StringSet( hitranfile, "HITRAN2012.par" )
Copy( hitranlocation, hitranpath )
Append( hitranlocation, hitranfile )
abs_linesReadFromHitran(abs_lines, hitranlocation, 0, 3e12)
abs_lines_per_speciesCreateFromLines
abs_lines_per_speciesWriteToSplitArtscat("zascii", abs_lines_per_species,
outpath)
### species with (SO FAR!) NO <3THz transitions
abs_speciesSet( species=[
# 27 29 30 35 36 38 40 41 42
"C2H6", "COF2", "SF6", "ClONO2", "NO+", "C2H4", "CH3Br", "CH3CN", "CF4" ] )
StringSet( hitranfile, "HITRAN2012.par" )
Copy( hitranlocation, hitranpath )
Append( hitranlocation, hitranfile )
abs_linesReadFromHitran(abs_lines, hitranlocation, 0, 3e12)
abs_lines_per_speciesCreateFromLines
abs_lines_per_speciesWriteToSplitArtscat("zascii", abs_lines_per_species,
outpath)
### species with (SO FAR!) NO lines in HITRAN at all (but valid ARTS species)
abs_speciesSet( species=[
"OClO", "BrO", "H2SO4", "Cl2O2", "HNC", "SO", "C3H8", "H", "He", "Ar" ] )
StringSet( hitranfile, "HITRAN2012.par" )
Copy( hitranlocation, hitranpath )
Append( hitranlocation, hitranfile )
abs_linesReadFromHitran(abs_lines, hitranlocation, 0, 3e12)
abs_lines_per_speciesCreateFromLines
abs_lines_per_speciesWriteToSplitArtscat("zascii", abs_lines_per_species,
outpath)
### for processing single species (from single species HITRAN files)
# SpeciesSet(abs_species, [ "CH3Br" ])
# SpeciesSet(abs_species, [ "CF4" ])
#
# StringSet( hitranfile, "HITRAN2012/By-Molecule/Uncompressed-files/40_hit08.par" )
# StringSet( hitranfile, "HITRAN2012/Supplemental/42_hit08.par" )
# Copy( hitranlocation, hitranpath )
# Append( hitranlocation, hitranfile )
#
# abs_linesReadFromHitran(abs_lines, hitranlocation, 0, 3e12)
# abs_lines_per_speciesCreateFromLines
# abs_lines_per_speciesWriteToSplitArtscat("zascii", abs_lines_per_species,
# outpath)
}
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