diff --git a/ChangeLog b/ChangeLog index 98aff76edf9e2e505ce434f28a0d380bf3f47e95..bdc472694ffa57ed8b357209c3a1f6a9d124037e 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 925c29d8e3110fdc6e107944cb91c9787b5a2f95..24816f40e2047e4a6064f8d472c2875224daefc6 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 de212437fea6397ef5b49d163569941caa4c7380..a957c47405d01949751c15fec6458e04de75c42e 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 Binary files a/spectroscopy/Perrin/CO.xml.gz and b/spectroscopy/Perrin/CO.xml.gz differ diff --git a/spectroscopy/Perrin/HCl.xml.gz b/spectroscopy/Perrin/HCl.xml.gz index 72da7cc7d520ac59c7c132017e4b48ea76c43677..d9e6247bb537777557b78a8719ad99f7a13a067b 100644 Binary files a/spectroscopy/Perrin/HCl.xml.gz and b/spectroscopy/Perrin/HCl.xml.gz differ diff --git a/spectroscopy/Perrin/README b/spectroscopy/Perrin/README index 747b43925f366951f6de3125e37e9cc351feaf7e..d623be1da6b08012907f461bac2da0ef6a5f13b0 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