From 6f83b7dfdb8960ee015ab950a13d0145906c5b7c Mon Sep 17 00:00:00 2001
From: mendrok <mendrok@aaf1aab0-4228-0410-ad68-8dceda47f409>
Date: Mon, 17 Mar 2014 01:00:19 +0000
Subject: [PATCH] 	* ARTS-XML-DATA-2-1-70

	* spectroscopy/Perrin/CO.xml.gz, HCl.xml.gz:
	Further corrections/updates.

	NOTE: previous updates of spectroscopic data (O2?) seem to have broken
	line mixing/zeeman test. Richard, please check (update reference values).

	* spectroscopy/Perrin/README: Updated accordingly.

	* planets/aux/isotopologue_ratios/isotopratios.py, isotopratios.txt:
	Minor improvements.



git-svn-id: https://radiativetransfer.org/svn/rt/arts-xml-data/trunk@8807 aaf1aab0-4228-0410-ad68-8dceda47f409
---
 ChangeLog                                     |  15 +++++++++++++++
 .../aux/isotopologue_ratios/isotopratios.py   |   6 +++---
 .../aux/isotopologue_ratios/isotopratios.txt  |   6 +++---
 spectroscopy/Perrin/CO.xml.gz                 | Bin 10065 -> 11617 bytes
 spectroscopy/Perrin/HCl.xml.gz                | Bin 31020 -> 31323 bytes
 spectroscopy/Perrin/README                    |   8 ++++----
 6 files changed, 25 insertions(+), 10 deletions(-)

diff --git a/ChangeLog b/ChangeLog
index 98aff76e..bdc47269 100644
--- a/ChangeLog
+++ b/ChangeLog
@@ -1,3 +1,18 @@
+2014-03-17 Jana Mendrok <jana.mendrok@ltu.se>
+
+	* ARTS-XML-DATA-2-1-70
+
+	* spectroscopy/Perrin/CO.xml.gz, HCl.xml.gz:
+	Further corrections/updates.
+
+	NOTE: previous updates of spectroscopic data (O2?) seem to have broken
+	line mixing/zeeman test. Richard, please check (update reference values).
+
+	* spectroscopy/Perrin/README: Updated accordingly.
+
+	* planets/aux/isotopologue_ratios/isotopratios.py, isotopratios.txt:
+	Minor improvements.
+
 2014-03-07 Jana Mendrok <jana.mendrok@ltu.se>
 
 	* ARTS-XML-DATA-2-1-69
diff --git a/planets/aux/isotopologue_ratios/isotopratios.py b/planets/aux/isotopologue_ratios/isotopratios.py
index 925c29d8..24816f40 100644
--- a/planets/aux/isotopologue_ratios/isotopratios.py
+++ b/planets/aux/isotopologue_ratios/isotopratios.py
@@ -82,12 +82,11 @@ def IRSingSpec(ir,st,en,tags,d):
   print('N4/N5 from N2: %.3e' %dne)
 
   #(1a) - 15N/14N
-  n = 2. #REPLACE permutational factor of N properly (equal the number of
+  #n = 1. #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
@@ -114,11 +113,12 @@ def IRSingSpec(ir,st,en,tags,d):
     dhp = dp[0,i]; dnp=dp[1,i]; rph = rp[0,i]; rpn = rp[1,i]
     ##### (E)
     # REPLACE fac calc properly
-    #fac = N.ones(1) #when only the main isotopologue exists, e.g. C4H2
+    #fac = N.ones(1) #when only the main isotopologue exists, e.g. C4H2, PH3
     #fac = N.append(N.ones(3),N.append(N.ones(3)*(dhp/dhe),(dhp/dhe)**2)) #H2O
     #fac = N.append(1.,N.append(N.ones(2)*(dnp/dne),N.ones(2))) #N2O
     #fac = N.append(N.ones(2),N.ones(2)*(dhp/dhe)) #CH4
     #fac = N.append(1.,N.append((dnp/dne),(dhp/dhe))) #NH3
+    #fac = N.append(N.ones(2),N.append((dnp/dne),(dhp/dhe))) #HCN
     #fac = N.append(1.,(dnp/dne)) #HNO3, N2
     #fac = N.append(N.ones(2),N.ones(2)*(dhp/dhe)) #HBr,HCl
     fac = N.append(1.,(dhp/dhe)) #HI,HF,H2
diff --git a/planets/aux/isotopologue_ratios/isotopratios.txt b/planets/aux/isotopologue_ratios/isotopratios.txt
index de212437..a957c474 100644
--- a/planets/aux/isotopologue_ratios/isotopratios.txt
+++ b/planets/aux/isotopologue_ratios/isotopratios.txt
@@ -51,14 +51,14 @@ Isotopologue ratio is the product of the relative isotopic abundances of all
 example:
  IR(CH4)  = ia(C) * ia(H)**4  #1C atom, 4H
  IR(CH3D) = ia(C) * ia(H)**3 * ia(D) * 4 #1C atom, 3H aoms, 1D atom
- IR(CH3D) has a factor 4 since D can be in place of any of the 4H, i.e. for us
+ IR(CH3D) has a factor 4 since D can be in place of any of the 4H, i.e., for us
  CH3D stands for CHHHD and CHHDH and CHDHH and CDHHH, hence their abundances
  have to be summed up.
 
 The isotopic abundance ia can be expressed in terms of the isotopic ratios ir
  (i.e., abundance of an isotope in relation to the main or another isotope):
- ia = ir(i) / (sum_j=1^N ir(j)
- i.e. as the relation of the individual isotope's abundance in relation to a
+ ia(i) = ir(i) / ( sum_j=1^N ir(j) )
+ i.e., as the relation of the individual isotope's abundance in relation to a
  fixed (usually the main) isotope to the sum of the relative abundances of all
  isotopes to the fixed (main) isotope.
 
diff --git a/spectroscopy/Perrin/CO.xml.gz b/spectroscopy/Perrin/CO.xml.gz
index 7470bd97139d1e1d9046a0cbe5972b8c3ec43c07..64638cfd03791368fdbab915636e2c0838e79fdc 100644
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diff --git a/spectroscopy/Perrin/README b/spectroscopy/Perrin/README
index 747b4392..d623be1d 100644
--- a/spectroscopy/Perrin/README
+++ b/spectroscopy/Perrin/README
@@ -58,20 +58,20 @@ Latest version:
 
 Nov 23  2012 C3H8.xml.gz
 Mar 15  2012 CH4.xml.gz
-Mar  1  2012 CO.xml.gz
+Mar 17  2014 CO.xml.gz
 Jan 29  2014 CO2.xml.gz
 Mar  1  2012 H2CO.xml.gz
 Jan 29  2014 H2O.xml.gz
 Mar 15  2012 H2O2.xml.gz
 Mar  1  2014 H2S.xml.gz
 Mar 15  2012 H2SO4.xml.gz
-Feb 17  2014 HCl.xml.gz
-Feb 17  2014 HF.xml.gz
+Mar 17  2014 HCl.xml.gz
+Mar  1  2014 HF.xml.gz
 Aug 23  2012 HO2.xml.gz
 Mar 15  2012 NH3.xml.gz
 Feb  6  2014 O2.xml.gz
 Feb  6  2014 O3.xml.gz
-Feb 17  2014 OCS.xml.gz
+Mar  1  2014 OCS.xml.gz
 Mar 15  2012 PH3.xml.gz
 Mar 19  2012 SO.xml.gz
 Feb  6  2014 SO2.xml.gz
-- 
GitLab