diff --git a/ChangeLog b/ChangeLog
index 8a915ee26feadb5d08e7be648c9901cfc801f66d..b8f641f357cd48492b6d6a4087513aab5997129f 100644
--- a/ChangeLog
+++ b/ChangeLog
@@ -1,3 +1,45 @@
+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>
* ARTS-XML-DATA-2-2-1
diff --git a/planets/Jupiter/isotopratio_Jupiter.xml b/planets/Jupiter/isotopratio_Jupiter.xml
index dd5cc30baea390e216e2d386b1159c1bc63fe581..381467ae49fd6bd8b12fe7eeabaffbeeea48e986 100644
--- a/planets/Jupiter/isotopratio_Jupiter.xml
+++ b/planets/Jupiter/isotopratio_Jupiter.xml
@@ -120,8 +120,8 @@
@ H2CO-2226 6.669066e-10
@ HOCl-165 7.558837e-01
@ HOCl-167 2.417130e-01
-@ N2-44 9.955459e-01
-@ N2-45 4.479957e-03
+@ N2-44 9.956935e-01
+@ N2-45 4.480621e-03
@ N2-SelfContMPM93 nan
@ N2-SelfContPWR93 nan
@ N2-SelfContStandardType nan
@@ -196,8 +196,8 @@
@ SO-46 0.0420727
@ SO-28 0.00194089
@ C3H8-21 9.672486e-01
-@ H2-11 9.999594e-01
-@ H2-12 5.199789e-05
+@ H2-11 9.999475e-01
+@ H2-12 5.199727e-05
@ H-1 1
@ He-4 1
@ Ar-8 1
diff --git a/planets/Mars/isotopratio_Mars.xml b/planets/Mars/isotopratio_Mars.xml
index 7101de0135e07cca8162a8d76677a29eef93ca16..4ceea191e5cb7aa2577f1c15247bdc91e39d791e 100644
--- a/planets/Mars/isotopratio_Mars.xml
+++ b/planets/Mars/isotopratio_Mars.xml
@@ -120,8 +120,8 @@
@ H2CO-2226 6.462605e-07
@ HOCl-165 7.552916e-01
@ HOCl-167 2.415236e-01
-@ N2-44 9.887273e-01
-@ N2-45 1.127149e-02
+@ N2-44 9.888739e-01
+@ N2-45 1.127316e-02
@ N2-SelfContMPM93 nan
@ N2-SelfContPWR93 nan
@ N2-SelfContStandardType nan
@@ -196,8 +196,8 @@
@ SO-46 0.0420727
@ SO-28 0.00194089
@ C3H8-21 9.612035e-01
-@ H2-11 9.983934e-01
-@ H2-12 1.617397e-03
+@ H2-11 9.983814e-01
+@ H2-12 1.617378e-03
@ H-1 1
@ He-4 1
@ Ar-8 1
diff --git a/planets/Venus/isotopratio_Venus.xml b/planets/Venus/isotopratio_Venus.xml
index 83a9b51891321da418f187541dfc6ff5df5c9705..42c918b7e6826f3b9d6aaddc9ba777cda8b54ea3 100644
--- a/planets/Venus/isotopratio_Venus.xml
+++ b/planets/Venus/isotopratio_Venus.xml
@@ -120,8 +120,8 @@
@ H2CO-2226 3.430044e-04
@ HOCl-165 7.418090e-01
@ HOCl-167 2.372122e-01
-@ N2-44 0.9926874
-@ N2-45 0.00733
+@ N2-44 9.926870e-01
+@ N2-45 7.478090e-03
@ N2-SelfContMPM93 nan
@ N2-SelfContPWR93 nan
@ N2-SelfContStandardType nan
@@ -196,8 +196,8 @@
@ SO-46 0.0420727
@ SO-28 0.00194089
@ C3H8-21 8.322139e-01
-@ H2-11 9.630672e-01
-@ H2-12 3.659655e-02
+@ H2-11 9.630557e-01
+@ H2-12 3.659612e-02
@ H-1 1
@ He-4 1
@ Ar-8 1
diff --git a/planets/aux/isotopologue_ratios/GetEarthIso.arts b/planets/aux/isotopologue_ratios/GetEarthIso.arts
new file mode 100644
index 0000000000000000000000000000000000000000..d0b0f192256ac11aab1f2e337a56f3706b96f557
--- /dev/null
+++ b/planets/aux/isotopologue_ratios/GetEarthIso.arts
@@ -0,0 +1,4 @@
+Arts2{
+isotopologue_ratiosInitFromBuiltin
+WriteXML("ascii", isotopologue_ratios, "IRfromARTSBuiltin.xml")
+}
diff --git a/planets/aux/isotopologue_ratios/isotopratios.py b/planets/aux/isotopologue_ratios/isotopratios.py
index 24816f40e2047e4a6064f8d472c2875224daefc6..04fe3c4898c11ee3ff5fb2696ab69c5eb2dfe4ba 100644
--- a/planets/aux/isotopologue_ratios/isotopratios.py
+++ b/planets/aux/isotopologue_ratios/isotopratios.py
@@ -82,14 +82,14 @@ def IRSingSpec(ir,st,en,tags,d):
print('N4/N5 from N2: %.3e' %dne)
#(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)
# in case of only one pair of main-isotope-minor-isotope isotopologue we can
# derive internal isotopic ratio from
#miniso=-2 #common (if both H and N can be calculated)
- #miniso=1 #if only N can be calculated, e.g. HNO3, N2
- #dne = (1./n)*ir[miniso]/ir[0] #REPLACE indices properly
+ miniso=1 #if only N can be calculated, e.g. HNO3, N2
+ dne = (1./n)*ir[miniso]/ir[0] #REPLACE indices properly
# in case there's more than one pair we take the mean
#dne=N.mean(ir[1:3]/ir[0]) #N2O
@@ -165,11 +165,17 @@ def InitIR(infile='IRfromARTSBuiltin.xml'):
#get ARTS built-in data
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)
- 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)
- 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
diff --git a/spectroscopy/Perrin/C2H2.xml.gz b/spectroscopy/Perrin/C2H2.xml.gz
index 5c6addbef3ae5c324b987db2b6ffc27abfe3638d..bc47415447ba816100f6e102ec1dcbfd7076134e 100644
Binary files a/spectroscopy/Perrin/C2H2.xml.gz and b/spectroscopy/Perrin/C2H2.xml.gz differ
diff --git a/spectroscopy/Perrin/C2H4.xml.gz b/spectroscopy/Perrin/C2H4.xml.gz
deleted file mode 100644
index bf2f651f86f34c84c159ae2cb11d7d689176739c..0000000000000000000000000000000000000000
Binary files a/spectroscopy/Perrin/C2H4.xml.gz and /dev/null differ
diff --git a/spectroscopy/Perrin/C4H2.xml.gz b/spectroscopy/Perrin/C4H2.xml.gz
new file mode 100644
index 0000000000000000000000000000000000000000..57961c6e92749b3ff7d6236bea410d9f271a53cb
Binary files /dev/null and b/spectroscopy/Perrin/C4H2.xml.gz differ
diff --git a/spectroscopy/Perrin/CF4.xml.gz b/spectroscopy/Perrin/CF4.xml.gz
deleted file mode 100644
index 471cbbfb23e8c8e8b54aa33d92e9d693a5a0432e..0000000000000000000000000000000000000000
Binary files a/spectroscopy/Perrin/CF4.xml.gz and /dev/null differ
diff --git a/spectroscopy/Perrin/CH3Br.xml.gz b/spectroscopy/Perrin/CH3Br.xml.gz
deleted file mode 100644
index 471cbbfb23e8c8e8b54aa33d92e9d693a5a0432e..0000000000000000000000000000000000000000
Binary files a/spectroscopy/Perrin/CH3Br.xml.gz and /dev/null differ
diff --git a/spectroscopy/Perrin/CH3CN.xml.gz b/spectroscopy/Perrin/CH3CN.xml.gz
deleted file mode 100644
index 471cbbfb23e8c8e8b54aa33d92e9d693a5a0432e..0000000000000000000000000000000000000000
Binary files a/spectroscopy/Perrin/CH3CN.xml.gz and /dev/null differ
diff --git a/spectroscopy/Perrin/CH3Cl.xml.gz b/spectroscopy/Perrin/CH3Cl.xml.gz
index 46f9d32ea8600f0c269588c1591a64d6fdd43936..e02b2cef26a3ae8df43fdbe9b3f0360041f403cd 100644
Binary files a/spectroscopy/Perrin/CH3Cl.xml.gz and b/spectroscopy/Perrin/CH3Cl.xml.gz differ
diff --git a/spectroscopy/Perrin/CS.xml.gz b/spectroscopy/Perrin/CS.xml.gz
new file mode 100644
index 0000000000000000000000000000000000000000..dbc7282b95b4875624cee3a12e7aaab90d440d40
Binary files /dev/null and b/spectroscopy/Perrin/CS.xml.gz differ
diff --git a/spectroscopy/Perrin/ClO.xml.gz b/spectroscopy/Perrin/ClO.xml.gz
index 340234cb9e006bee116aa6778d3282c609c3f37f..8b29676e27b8e18869417c6ba13f9b419ecbf6d2 100644
Binary files a/spectroscopy/Perrin/ClO.xml.gz and b/spectroscopy/Perrin/ClO.xml.gz differ
diff --git a/spectroscopy/Perrin/ClONO2.xml.gz b/spectroscopy/Perrin/ClONO2.xml.gz
deleted file mode 100644
index 1af467448f6a6c3c22d2b989f807924e950daee9..0000000000000000000000000000000000000000
Binary files a/spectroscopy/Perrin/ClONO2.xml.gz and /dev/null differ
diff --git a/spectroscopy/Perrin/ExtractFromHITRAN.arts b/spectroscopy/Perrin/ExtractFromHITRAN.arts
new file mode 100644
index 0000000000000000000000000000000000000000..f62d0dc4b176eb6b33a75355d1d026b78a4a8d75
--- /dev/null
+++ b/spectroscopy/Perrin/ExtractFromHITRAN.arts
@@ -0,0 +1,76 @@
+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)
+
+}
+
diff --git a/spectroscopy/Perrin/H2.xml.gz b/spectroscopy/Perrin/H2.xml.gz
index 408e7a0df2df4c33247b3e02469df4a8b5ad5f72..ed8fea005236d96299918a21801f327b440107dc 100644
Binary files a/spectroscopy/Perrin/H2.xml.gz and b/spectroscopy/Perrin/H2.xml.gz differ
diff --git a/spectroscopy/Perrin/HBr.xml.gz b/spectroscopy/Perrin/HBr.xml.gz
index 385b0f709fadcc0422bb6a61551d11661c899a39..5c948b29984f156affd73713bab1f5342e25bdf4 100644
Binary files a/spectroscopy/Perrin/HBr.xml.gz and b/spectroscopy/Perrin/HBr.xml.gz differ
diff --git a/spectroscopy/Perrin/HC3N.xml.gz b/spectroscopy/Perrin/HC3N.xml.gz
new file mode 100644
index 0000000000000000000000000000000000000000..d1de720a2433f0244334bc7ab75f4ab13f1f0d65
Binary files /dev/null and b/spectroscopy/Perrin/HC3N.xml.gz differ
diff --git a/spectroscopy/Perrin/HCOOH.xml.gz b/spectroscopy/Perrin/HCOOH.xml.gz
index 1f412899cabeec37d008d4eb96c40e4ce4ff7f64..59cdec8c86a00438e59938cea6b123ceac461b35 100644
Binary files a/spectroscopy/Perrin/HCOOH.xml.gz and b/spectroscopy/Perrin/HCOOH.xml.gz differ
diff --git a/spectroscopy/Perrin/HI.xml.gz b/spectroscopy/Perrin/HI.xml.gz
index 9f58f31d6319d981cddbb746714111532d7cbef7..297d01bbe040a02dbf5860557598ddac246f14c8 100644
Binary files a/spectroscopy/Perrin/HI.xml.gz and b/spectroscopy/Perrin/HI.xml.gz differ
diff --git a/spectroscopy/Perrin/HNO3.xml.gz b/spectroscopy/Perrin/HNO3.xml.gz
index ce68a1c47ff4d44152a351599a67e8fc67971344..21aefdf13da657037d10b3d39e884221010c89b9 100644
Binary files a/spectroscopy/Perrin/HNO3.xml.gz and b/spectroscopy/Perrin/HNO3.xml.gz differ
diff --git a/spectroscopy/Perrin/HOBr.xml.gz b/spectroscopy/Perrin/HOBr.xml.gz
index 2f62f0c893ac7781d8e4362c728f1721ba13d624..c188f26d2f1a61cebed6717ee91e7d02dac52c95 100644
Binary files a/spectroscopy/Perrin/HOBr.xml.gz and b/spectroscopy/Perrin/HOBr.xml.gz differ
diff --git a/spectroscopy/Perrin/HOCl.xml.gz b/spectroscopy/Perrin/HOCl.xml.gz
index c5bb1e36fc034db4ddbf033b0faa9e69218c1fa2..a33397308bca1ce965279409179d5576f6205e81 100644
Binary files a/spectroscopy/Perrin/HOCl.xml.gz and b/spectroscopy/Perrin/HOCl.xml.gz differ
diff --git a/spectroscopy/Perrin/N2.xml.gz b/spectroscopy/Perrin/N2.xml.gz
index 408e7a0df2df4c33247b3e02469df4a8b5ad5f72..aa18ea59fbf75d4286f76b448d1208ac516b5e60 100644
Binary files a/spectroscopy/Perrin/N2.xml.gz and b/spectroscopy/Perrin/N2.xml.gz differ
diff --git a/spectroscopy/Perrin/NO+.xml.gz b/spectroscopy/Perrin/NO+.xml.gz
deleted file mode 100644
index 1ec9b04537800d9c62fcfbf71def23514c04a653..0000000000000000000000000000000000000000
Binary files a/spectroscopy/Perrin/NO+.xml.gz and /dev/null differ
diff --git a/spectroscopy/Perrin/NO.xml.gz b/spectroscopy/Perrin/NO.xml.gz
index e1f90d4af5a3c7c428615b789471b02b1902b335..f7f149507566a8bf95c8d1727bd084508f27b44c 100644
Binary files a/spectroscopy/Perrin/NO.xml.gz and b/spectroscopy/Perrin/NO.xml.gz differ
diff --git a/spectroscopy/Perrin/NO2.xml.gz b/spectroscopy/Perrin/NO2.xml.gz
index 40e412533cca668813e7f8856a48cc705415f218..b2d54e8488b470aa49d2e38f130a187bb4a212b6 100644
Binary files a/spectroscopy/Perrin/NO2.xml.gz and b/spectroscopy/Perrin/NO2.xml.gz differ
diff --git a/spectroscopy/Perrin/OH.xml.gz b/spectroscopy/Perrin/OH.xml.gz
index 3154e7ce3f704f258f8bdebcbb30615f11057fae..ee6b496acd7f590719a8c1ac63aceea26c6f6027 100644
Binary files a/spectroscopy/Perrin/OH.xml.gz and b/spectroscopy/Perrin/OH.xml.gz differ
diff --git a/spectroscopy/Perrin/README b/spectroscopy/Perrin/README
index d623be1da6b08012907f461bac2da0ef6a5f13b0..cf493a307ecb08aeb565c590042623f4471b46f6 100644
--- a/spectroscopy/Perrin/README
+++ b/spectroscopy/Perrin/README
@@ -2,10 +2,11 @@ Species overview
================
Species # Source
-C2H2 (26) Hitran NOL* (604.774170)
+C2H2 (26) Hitran
C2H4 (38) Hitran NOL* (701.202696)
C2H6 (27) Hitran NOL* (706.601510)
C3H8 Perrin [NOH*]
+C4H2 (43) Hitran
CF4 (42) Hitran NOL* (594.580718)
CH3Br (40) Hitran NOL* (794.403140)
CH3CN (41) Hitran NOL* (890.051655)
@@ -14,9 +15,11 @@ CH3OH (39) Hitran
CH4 (6) Perrin
CO (5) Perrin
CO2 (2) Perrin
-COF2 (29) Hitran NOL* (725.005500)
+COF2 (29) Hitran NOL* (686.730618)
+CS (46) Hitran
ClO (18) Hitran
ClONO2 (35) Hitran NOL* (763.641040)
+H2 (45) Hitran
H2CO (20) Perrin
H2O (1) Perrin
H2O2 (25) Perrin
@@ -24,6 +27,7 @@ H2S (31) Perrin
H2SO4 Perrin
HBr (16) Hitran
HCN (23) Hitran
+HC3N (44) Hitran
HCOOH (32) Hitran
HCl (15) Perrin
HF (14) Perrin
@@ -32,7 +36,7 @@ HNO3 (12) Hitran
HO2 (33) Perrin
HOBr (37) Hitran
HOCl (21) Hitran
-N2 (22) Hitran NOL* (1992.627702)
+N2 (22) Hitran
N2O (4) Hitran
NH3 (11) Perrin
NO (8) Hitran
@@ -43,10 +47,11 @@ O2 (7) Perrin
O3 (3) Perrin
OCS (19) Perrin
OH (13) Hitran
-PH3 (28) Perrin [NOL* (770.877550)]
+PH3 (28) Perrin
SF6 (30) Hitran NOL* (580.000244)
SO Perrin
SO2 (9) Perrin
+SO3 (47) Hitran
NOL*: No lines between 0-3THz (1st linepos in HITRAN [cm-1])
NOH*: No lines in HITRAN yet at all
@@ -73,7 +78,7 @@ Feb 6 2014 O2.xml.gz
Feb 6 2014 O3.xml.gz
Mar 1 2014 OCS.xml.gz
Mar 15 2012 PH3.xml.gz
-Mar 19 2012 SO.xml.gz
+Apr 7 2014 SO.xml.gz
Feb 6 2014 SO2.xml.gz
@@ -91,94 +96,75 @@ c sigm(ARTS)=sigm(HITRAN)*sarts
-Species from Hitran 2008
-========================
+Species from Hitran
+===================
-Latest version:
+Latest version: 2012 edition
+
+2015-06-09 17:05 C2H2.xml.gz
+2015-06-09 17:06 C4H2.xml.gz
+2015-06-09 17:05 CH3Cl.xml.gz
+2013-01-11 09:07 CH3OH.xml.gz
+2015-06-09 17:05 ClO.xml.gz
+2015-06-09 17:06 CS.xml.gz
+2015-06-09 17:06 H2.xml.gz
+2015-06-09 17:05 HBr.xml.gz
+2015-06-09 17:06 HC3N.xml.gz
+2012-03-19 11:03 HCN.xml.gz
+2015-06-09 17:05 HCOOH.xml.gz
+2015-06-09 17:05 HI.xml.gz
+2015-06-09 17:05 HNO3.xml.gz
+2015-06-09 17:05 HOBr.xml.gz
+2015-06-09 17:05 HOCl.xml.gz
+2012-03-19 11:03 N2O.xml.gz
+2015-06-09 17:05 N2.xml.gz
+2015-06-09 17:05 NO2.xml.gz
+2015-06-09 17:05 NO.xml.gz
+2015-06-09 17:05 OH.xml.gz
+2012-03-19 11:03 O.xml.gz
+2015-06-09 17:06 SO3.xml.gz
+
+
+Empty files for species with no (THz) lines
+===========================================
+(but required as broadening species (*) or due to existence of Earth profile data)
+
+2012-03-19 11:03 C2H6.xml.gz
+2012-03-19 11:03 COF2.xml.gz
+2012-11-24 02:04 He.xml.gz
+2012-03-19 11:03 SF6.xml.gz
-19 Mar 10:39 CH3Cl.xml.gz
-19 Mar 10:39 ClO.xml.gz
-19 Mar 10:39 HBr.xml.gz
-19 Mar 10:39 HCN.xml.gz
-19 Mar 10:39 HCOOH.xml.gz
-19 Mar 10:39 HI.xml.gz
-19 Mar 10:39 HNO3.xml.gz
-19 Mar 10:39 HOBr.xml.gz
-19 Mar 10:39 HOCl.xml.gz
-19 Mar 10:39 N2O.xml.gz
-19 Mar 10:39 NO.xml.gz
-19 Mar 10:39 NO2.xml.gz
-19 Mar 10:39 O.xml.gz
-19 Mar 10:39 OH.xml.gz
-
-Empty files for species with no lines:
-
-19 Mar 09:25 C2H2.xml.gz
-19 Mar 09:25 C2H4.xml.gz
-19 Mar 09:25 C2H6.xml.gz
-19 Mar 09:26 CH3CN.xml.gz
-19 Mar 09:25 COF2.xml.gz
-19 Mar 09:25 ClONO2.xml.gz
-19 Mar 09:25 N2.xml.gz
-19 Mar 09:25 NO+.xml.gz
-19 Mar 09:25 SF6.xml.gz
+Line Count
+==========
- abs_lines_per_speciesCreateFromLines
0: N2O-*-*-*: 451 lines
1: NO-*-*-*: 5233 lines
2: NO2-*-*-*: 20170 lines
- 3: HNO3-*-*-*: 36551 lines
- 4: OH-*-*-*: 2112 lines
- 5: HBr-*-*-*: 106 lines
- 6: HI-*-*-*: 94 lines
+ 3: HNO3-*-*-*: 490086 lines
+ 4: OH-*-*-*: 2111 lines
+ 5: HBr-*-*-*: 326 lines
+ 6: HI-*-*-*: 375 lines
7: ClO-*-*-*: 9453 lines
8: HOCl-*-*-*: 2952 lines
- 9: N2-*-*-*: 0 lines
+ 9: N2-*-*-*: 36 lines
10: HCN-*-*-*: 319 lines
- 11: CH3Cl-*-*-*: 12775 lines
- 12: C2H2-*-*-*: 0 lines
- 13: C2H6-*-*-*: 0 lines
- 14: COF2-*-*-*: 0 lines
- 15: SF6-*-*-*: 0 lines
- 16: HCOOH-*-*-*: 6808 lines
- 17: O-*-*-*: 1 lines
- 18: ClONO2-*-*-*: 0 lines
- 19: NO+-*-*-*: 0 lines
- 20: HOBr-*-*-*: 1463 lines
- 21: C2H4-*-*-*: 0 lines
- 22: CH3CN-*-*-*: 0 lines
-
-
-ARTS controlfile used to extract species from HITRAN 2008
-=========================================================
+ 11: CH3Cl-*-*-*: 12824 lines
+ 12: C2H2-*-*-*: 40 lines
+ 13: HCOOH-*-*-*: 6808 lines
+ 14: O-*-*-*: 1 lines
+ 15: HOBr-*-*-*: 1463 lines
+ 16: CH3OH-*-*-*: 4663 lines
+ 17: C4H2-*-*-*: 3744 lines
+ 18: HC3N-*-*-*: 985 lines
+ 19: H2-*-*-*: 34 lines
+ 20: CS-*-*-*: 694 lines
+ 21: SO3-*-*-*: 25 lines
+
-Arts2
-{
- SpeciesSet(abs_species, [
-"C2H2", "C2H4", "C2H6", "CH3CN", "CH3Cl", "CH3OH", "COF2", "ClO", "ClONO2", "HBr",
-"HCN", "HCOOH", "HI", "HNO3", "HOBr", "HOCl", "N2", "N2O", "NO", "NO+", "NO2",
-"O", "OH", "SF6" ])
-
- abs_linesReadFromHitran(abs_lines, "HITRAN08.par", 0, 3e12)
- abs_lines_per_speciesCreateFromLines
- abs_lines_per_speciesWriteToSplitArtscat("zascii", abs_lines_per_species,
- "hitran/")
-
- SpeciesSet(abs_species, [ "CH3Br" ])
-
- abs_linesReadFromHitran(abs_lines,
- "HITRAN2008/By-Molecule/Uncompressed-files/40_hit08.par", 0, 3e12)
- abs_lines_per_speciesCreateFromLines
- abs_lines_per_speciesWriteToSplitArtscat("zascii", abs_lines_per_species,
- "hitran/")
-
- SpeciesSet(abs_species, [ "CF4" ])
-
- abs_linesReadFromHitran(abs_lines,
- "HITRAN2008/Supplemental/42_hit08.par", 0, 3e12)
- abs_lines_per_speciesCreateFromLines
- abs_lines_per_speciesWriteToSplitArtscat("zascii", abs_lines_per_species,
- "hitran/")
-}
+
+ARTS controlfile used to extract species from HITRAN data
+=========================================================
+see ExtractFromHITRAN.arts (run with -r 030 to create above line count)
diff --git a/spectroscopy/Perrin/SO3.xml.gz b/spectroscopy/Perrin/SO3.xml.gz
new file mode 100644
index 0000000000000000000000000000000000000000..e5b633c22721eb39af0bc095c6504d1591347d51
Binary files /dev/null and b/spectroscopy/Perrin/SO3.xml.gz differ