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|
!abundances.f90, the core of NEAT which does all of the physical analysis
!(C) Roger Wesson, Dave Stock, Peter Scicluna
subroutine abundances(linelist,listlength,iteration_result,meanextinction,calculate_extinction,ILs,diagnostics,iion,atomicdata,maxlevs,maxtemps,heidata,switch_he,switch_icf,H_Balmer,H_Paschen,HeI_lines,HeII_lines,weights,subtract_recombination)
use mod_types
use mod_equib
use mod_abundIO
use mod_helium
use mod_recombination_lines
use mod_extinction
use mod_resultarrays
use mod_atomicdata
use mod_oii_diagnostics
use mod_hydrogen
use mod_globals
implicit none
integer :: counter, i, j
integer, intent(in) :: listlength
type(line), dimension(listlength) :: linelist, linelist_orig
character :: switch_he !switch for helium atomic data
character :: switch_icf !switch for which ICF to use
type(resultarray), dimension(1) :: iteration_result
type(diagnostic_array), intent(in) :: diagnostics
real(kind=dp) :: flux_no1, flux_no2, flux_no3, flux_no4, flux_no5, flux_no6
real(kind=dp) :: oiiNratio, oiiDens, oiiiTratio, oiiiTemp, oiiiIRNratio, oiiiIRTratio, oiiiIRtemp, oiiiUVTratio, oiiiUVtemp, oiiiIRdens, niiTratio, niiTemp, ariiiIRNratio, ariiiIRdens, arivNratio, arivDens, cliiiNratio, cliiiDens, siiNratio, siiDens, siiTratio, siiTemp, siiiIRNratio, siiiIRdens, oiiTratio, oiiTemp, neiiiTratio, neiiiIRTratio, neiiiIRNratio, neiiiIRdens, neiiiTemp, neiiiIRTemp, oitemp, citemp
real(kind=dp) :: ciiiNratio,neivNratio,nevTratio,siiiTratio,ariiiTratio,arvTratio,lowtemp,lowdens,medtemp,ciiidens,meddens,siiitemp,ariiitemp,hightemp,neivdens,highdens,arvtemp,nevtemp,oiTratio,ciTratio
real(kind=dp) :: oiiRLabund, niiRLabund, ciiRLabund, cii4267rlabund, neiiRLabund, ciiiRLabund, niiiRLabund, RLabundtemp, weight
real(kind=dp) :: ciiiCELabund, niiCELabund, niiiIRCELabund, niiiUVCELabund, oiiCELabund, oiiiCELabund, oiiiIRCELabund, oivCELabund, neiiIRCELabund, neiiiIRCELabund, neiiiCELabund, neivCELabund, siiCELabund, siiiCELabund, siiiIRCELabund, sivIRCELabund, cliiCELabund, cliiiCELabund, clivCELabund, ariiiCELabund, arivCELabund, ariiiIRCELabund, nivCELabund, niiiCELabund, ciiCELabund, civCELabund, nvCELabund, nevCELabund, arvCELabund, ciCELabund, oiCELabund
real(kind=dp) :: fn4
real(kind=dp) :: CELicfO, CELicfC, CELicfN, CELicfNe, CELicfAr, CELicfS, CELicfCl
real(kind=dp) :: RLicfO, RLicfC, RLicfN, RLicfNe, RLicfHe
real(kind=dp) :: CabundRL, CabundCEL, NabundRL, NabundCEL, OabundRL, OabundCEL, NeabundRL, NeabundCEL, SabundCEL, ArabundCEL, NOabundCEL, NCabundCEL, ClabundCEL
real(kind=dp) :: adfC, adfN, adfO, adfNe
real(kind=dp) :: adfC2plus, adfN2plus, adfO2plus, adfNe2plus
real(kind=dp) :: c1, c2, c3, meanextinction
real(kind=dp) :: heiabund,heiiabund,Hetotabund, heICFfactor, OICFfactor, upsilon, upsilonprime
real(kind=dp) :: Te_balmer, Te_paschen
real(kind=dp) :: oii4649, oii4089,oii4662,oii_te,oii_ne
real(kind=dp) :: ratio_5876_4471, ratio_6678_4471, ratio_7281_6678, te_5876_4471, te_6678_4471, te_7281_6678
real(kind=dp) :: aeff_hb,em_hb
type(weightingarray) :: weights, weights_orig
logical :: calculate_extinction
integer :: subtract_recombination,srloop
type(line), dimension(2) :: Balmer_jump, Paschen_jump
! index arrays to locate lines of interest in the main line list
integer, dimension(3:40) :: H_Balmer
integer, dimension(4:39) :: H_Paschen
integer, dimension(44) :: HeI_lines
integer, dimension(20,2:6) :: HeII_lines
type(cel), dimension(88) :: ILs !todo: work out why this becomes undefined on entry if its shape is assumed
!atomic data
integer :: iion !# of ions in Ilines
integer :: maxlevs,maxtemps
type(atomic_data),dimension(24) :: atomicdata
real(kind=dp), dimension(21,14,44) :: heidata
! recombination line variables
type RLabund
character(len=7) :: Multiplet
real(kind=dp) :: Abundance
real(kind=dp) :: coadded_observed
real(kind=dp) :: coadded_predicted
real(kind=dp) :: weight
end type RLabund
type (RLabund), dimension(12) :: oiimultiplets
type (RLabund), dimension(7) :: niimultiplets
real(kind=dp) :: balmerdec_density, paschendec_density
logical :: oiiRLreliable,niiRLreliable ! report reliability of recombination line O/H and N/H abundances
! abundances relative to Halpha? todo, implement as command line option
logical :: relativetoha=.false.
real(kind=dp), dimension(3) :: hafactor !factor for low, medium and high temperatures and densities
! strong line variables
real(kind=dp) :: X23,O_R23upper, O_R23lower, N2,O_N2, O3N2, O_O3N2, Ar3O3, O_Ar3O3, S3O3, O_S3O3, x23temp1, x23temp2, x23temp3, x23temp4
! recombination contribution to CEL line fluxes for both RL and CEL abundances
real(kind=dp) :: nii5754recCEL, oii7325recCEL, oiii4363recCEL, nii5754recRL, oii7325recRL, oiii4363recRL
! upper and lower limits for CEL calculations. todo: implement as command line option
real(kind=dp) :: tlower,tupper
! debugging
#ifdef CO
print *,"subroutine: abundances"
#endif
! initialise some variables
oiiRLabund = 0.d0
niiRLabund = 0.d0
ciiRLabund = 0.d0
cii4267rlabund = 0.d0
neiiRLabund = 0.d0
ciiiRLabund = 0.d0
niiiRLabund = 0.d0
CabundCEL = 0.d0
NabundCEL = 0.d0
OabundCEL = 0.d0
NeabundCEL = 0.d0
SabundCEL = 0.d0
ClabundCEL = 0.d0
ArabundCEL = 0.d0
nii5754recCEL = 0.d0
oii7325recCEL = 0.d0
oiii4363recCEL = 0.d0
nii5754recRL = 0.d0
oii7325recRL = 0.d0
oiii4363recRL = 0.d0
hetotabund = 0.d0
CabundRL = 0.d0
NabundRL = 0.d0
OabundRL = 0.d0
NeabundRL = 0.d0
CELicfCl = 0.d0
CELicfS = 0.d0
CELicfAr = 0.d0
CELicfNe = 0.d0
CELicfN = 0.d0
CELicfO = 0.d0
Ar3O3 = 0.D0
O_Ar3O3 = 0.D0
oiimultiplets%abundance = 0.d0
oiimultiplets%coadded_observed = 0.d0
oiimultiplets%coadded_predicted = 0.d0
niimultiplets%abundance = 0.d0
niimultiplets%coadded_observed = 0.d0
niimultiplets%coadded_predicted = 0.d0
linelist_orig = linelist
weights_orig = weights
tlower=5000.
tupper=35000.
!store fluxes of blends for later retrieval
where (linelist%blend_intensity .gt. 0.d0)
linelist%intensity=0.d0
linelist%int_err=0.d0
endwhere
!is H beta detected? if not, we can't do anything.
!todo: the calculation of expected Hbeta from Halpha and c(Hb) needs fixing as Hb=0 now triggers an error outside the loop - 15/05/2015
if (linelist(H_Balmer(4))%intensity .eq. 0.D0) then
print *," No H beta found"
if (linelist(H_Balmer(3))%intensity .gt. 0.D0 .and. calculate_extinction .eqv. .false.) then
print *, " Estimating from observed H alpha and specified c(Hb)" !do we really want this to be printed out 10000 times?
print "(4X,F6.2,A5,F6.3,A13)",linelist(H_Balmer(3))%intensity," and ",meanextinction," respectively"
linelist(H_Balmer(4))%intensity=(linelist(H_Balmer(3))%intensity/2.85)*10.**(meanextinction*linelist(H_Balmer(3))%flambda)
print "(4X,A9,F6.2)","H beta = ",(linelist(H_Balmer(4))%intensity)
else
print *," Specify the extinction from the command line with the -c option to proceed"
call exit(201)
endif
endif
! return to here to recalculate everything when subtracting the recombination contribution
! note that extinction is recalculated later on after diagnostics are known, so
! changes here may also need to be made in the subsequent section too
do srloop=1,subtract_recombination
if (calculate_extinction) then
call calc_extinction_coeffs(linelist,H_Balmer, c1, c2, c3, meanextinction, dble(10000.),dble(1000.),weights%ha,weights%hg,weights%hd,hidata)
if (meanextinction .lt. 0.0 .or. isnan(meanextinction)) then
meanextinction = 0.d0
endif
! NaN can happen if the code tries to calculate the extinction but there is no
! H alpha line
! ideally an error message should be written here, but as it's inside the loop
! this would result in 10,000 error messages when uncertainties are being
! calculated
! to be improved...
endif
!actual dereddening
call deredden(linelist, meanextinction)
!diagnostics
call get_diag("ciii1909 ","ciii1907 ", ciiiNratio) ! ciii ratio
call get_diag("oii3729 ","oii3726 ", oiiNratio ) ! oii ratio
call get_diag("neiv2425 ","neiv2423 ", neivNratio ) ! neiv ratio
call get_diag("sii6731 ","sii6716 ", siiNratio ) ! s ii ratio
call get_diag("cliii5537 ","cliii5517 ", cliiiNratio ) ! Cl iii ratio
call get_diag("ariv4740 ","ariv4711 ", arivNratio ) ! Ar iv ratio
call get_diag("oiii88um ","oiii52um ", oiiiIRNratio ) ! oiii ir ratio
call get_diag("siii33p5um ","siii18p7um ", siiiIRNratio ) ! siii ir ratio
call get_diag("neiii15p5um","neiii36p0um", neiiiIRNratio ) ! neiii ir ratio
call get_diag("ariii9um ","ariii21p8um", ariiiIRNratio ) ! ariii ir ratio
! temperature ratios:
!For diagnostic ratios with the sum of two lines on top, the get_Tdiag
!subroutine will properly calculate the ratio if one of the two lines is
!missing, from the theoretical expected line strengths.
call get_Tdiag("nii6548 ","nii6584 ","nii5754 ", "[N II] ", niiTratio) ! N II
call get_Tdiag("oiii5007 ","oiii4959 ","oiii4363 ", "[O III] ", oiiiTratio) ! O III
call get_Tdiag("neiii3868 ","neiii3967 ","neiii3342 ", "[Ne III] ", neiiiTratio) ! Ne III
call get_Tdiag("neiii3868 ","neiii3967 ","neiii15p5um", "[Ne III] ", neiiiIRTratio)! Ne III ir
call get_Tdiag("nev3426 ","nev3345 ","nev2975 ", "[Ne V] ", nevTratio) !!ne v
call get_Tdiag("siii9069 ","siii9531 ","siii6312 ", "[S III] ", siiiTratio) !s iii
call get_Tdiag("ariii7135 ","ariii7751 ","ariii5192 ", "[Ar III] ", ariiiTratio) !ar iii
call get_Tdiag("arv6435 ","arv7005 ","arv4625 ", "[Ar V] ", arvTratio) !ar v
call get_Tdiag("ci9850 ","ci9824 ","ci8727 ", "[C I] ", ciTratio) !C I
call get_Tdiag("oi6364 ","oi6300 ","oi5577 ", "[O I] ", oiTratio) !O I
call get_Tdiag("oiii5007 ","oiii4959 ","oiii52um ", "[O III] ", oiiiIRTratio) ! OIII ir
call get_Tdiag("oiii5007 ","oiii4959 ","oiii1666 ", "[O III] ", oiiiUVTratio) ! OIII UV
!Fixed, DJS
! O II
if(get_cel_flux("oii7319b ",linelist,ILs) .gt. 0.d0) then
flux_no1 = get_cel_flux("oii7319b ",linelist,ILs)
flux_no2 = get_cel_flux("oii7330b ",linelist,ILs)
flux_no3 = get_cel_flux("oii3726 ",linelist,ILs)
flux_no4 = get_cel_flux("oii3729 ",linelist,ILs)
if (flux_no1 .gt. 0 .and. flux_no2 .gt. 0 .and. flux_no3 .gt. 0 .and. flux_no4 .gt. 0) then
oiiTratio = (flux_no1+flux_no2)/(flux_no3+flux_no4)
else
oiiTratio = 0.d0
endif
elseif(get_cel_flux("oii7319 ",linelist,ILs) .gt. 0)then
flux_no1 = get_cel_flux("oii7319 ",linelist,ILs)
flux_no2 = get_cel_flux("oii7320 ",linelist,ILs)
flux_no3 = get_cel_flux("oii7330 ",linelist,ILs)
flux_no4 = get_cel_flux("oii7331 ",linelist,ILs)
flux_no5 = get_cel_flux("oii3726 ",linelist,ILs)
flux_no6 = get_cel_flux("oii3729 ",linelist,ILs)
if (flux_no1 .gt. 0 .and. flux_no2 .gt. 0 .and. flux_no3 .gt. 0 .and. flux_no4 .gt. 0 .and. flux_no5 .gt. 0 .and. flux_no6 .gt. 0) then
oiiTratio = ((flux_no1+flux_no2)+(flux_no3+flux_no4))/(flux_no5+flux_no6)
else
oiiTratio = 0.d0
endif
!add condition for 3727 blend
else
oiiTratio=0.d0
endif
! S II
flux_no1 = get_cel_flux("sii6716 ",linelist,ILs)
flux_no2 = get_cel_flux("sii6731 ",linelist,ILs)
flux_no3 = get_cel_flux("sii4068 ",linelist,ILs)
flux_no4 = get_cel_flux("sii4076 ",linelist,ILs)
if (flux_no1 .gt. 0 .and. flux_no2 .gt. 0 .and. flux_no3 .gt. 0 .and. flux_no4 .gt. 0) then
siiTratio = (flux_no1+flux_no2)/(flux_no3+flux_no4)
elseif (flux_no1 .gt. 0 .and. flux_no2 .gt. 0 .and. flux_no3 .gt. 0 .and. flux_no4 .eq. 0.d0) then
! if 4076 is not seen, assume that 4076/4068 = 0.338. This is not an exact value but for 5000<Te<15000 and 0<ne<1e5 it varies by less than 5%
siiTratio = (flux_no1+flux_no2)/(1.338*flux_no3)
else
siiTratio = 0.d0
endif
! subtract recombination contributions assuming RL abundances
! on the first pass, rec. contrib. will still have its initial value of zero
if (nii5754recRL .gt. 0.d0) niiTratio = niiTratio / (1. - (0.01*nii5754recRL))
if (oii7325recRL .gt. 0.d0) oiiTratio = oiiTratio / (1. - (0.01*oii7325recRL))
if (oiii4363recRL .gt. 0.d0) oiiiTratio = oiiiTratio / (1. - (0.01*oiii4363recRL))
! now get diagnostics zone by zone.
! low ionisation
! Edited to stop high limits being included in diagnostic averages. DJS
lowtemp = 10000.d0
do i = 1,2
oiiDens=0.d0
siiDens=0.d0
call get_diagnostic("[O II] ","1,2/ ","1,3/ ",oiiNratio,"D",lowtemp, oiiDens,maxlevs,maxtemps,atomicdata,iion,tlower,tupper)
call get_diagnostic("[S II] ","1,2/ ","1,3/ ",siiNratio,"D",lowtemp, siiDens,maxlevs,maxtemps,atomicdata,iion,tlower,tupper)
if (oiidens .le. 0.d0) weights%oiiDens = 0.d0
if (siidens .le. 0.d0) weights%siiDens = 0.d0
if ((weights%oiiDens + weights%siiDens) .eq. 0 .and. diagnostics%lowdens .eq. 0) then
lowdens = 1000.d0
elseif (diagnostics%lowdens .gt. 0.0) then
lowdens = diagnostics%lowdens
else
lowdens = (weights%oiiDens*oiiDens + weights%siiDens*siiDens) / (weights%oiiDens + weights%siiDens)
endif
counter=0
call get_diagnostic("[O II] ","2,4,2,5,3,4,3,5/ ","1,2,1,3/ ",oiiTratio,"T",lowdens,oiiTemp,maxlevs,maxtemps,atomicdata,iion,tlower,tupper)
call get_diagnostic("[S II] ","1,2,1,3/ ","1,4,1,5/ ",siiTratio,"T",lowdens,siiTemp,maxlevs,maxtemps,atomicdata,iion,tlower,tupper)
call get_diagnostic("[N II] ","2,4,3,4/ ","4,5/ ",niiTratio,"T",lowdens,niitemp,maxlevs,maxtemps,atomicdata,iion,tlower,tupper)
call get_diagnostic("[C I] ","2,4,3,4/ ","4,5/ ",ciTratio,"T",lowdens,citemp,maxlevs,maxtemps,atomicdata,iion,tlower,tupper)
call get_diagnostic("[O I] ","1,4,2,4/ ","4,5/ ",oiTratio,"T",lowdens,oitemp,maxlevs,maxtemps,atomicdata,iion,tlower,tupper)
if (oiiTemp .le. tlower .or. oiiTemp .gt. tupper) weights%oiiTemp = 0.d0
if (siiTemp .le. tlower .or. siiTemp .gt. tupper) weights%siiTemp = 0.d0
if (niiTemp .le. tlower .or. niiTemp .gt. tupper) weights%niiTemp = 0.d0
if (ciTemp .le. tlower .or. ciTemp .gt. tupper) weights%ciTemp = 0.d0
if (oiTemp .le. tlower .or. oiTemp .gt. tupper) weights%oiTemp = 0.d0
if ((weights%oiiTemp + weights%siiTemp + weights%niiTemp + weights%ciTemp + weights%oiTemp) .gt. 0 .and. diagnostics%lowtemp .eq. 0) then
lowtemp = (weights%oiiTemp*oiiTemp + weights%siiTemp*siiTemp + weights%niiTemp*niiTemp + weights%ciTemp*ciTemp + weights%oiTemp*oiTemp) / (weights%oiiTemp + weights%siiTemp + weights%niiTemp + weights%ciTemp + weights%oiTemp)
elseif (diagnostics%lowtemp .gt. 0.0) then
lowtemp = diagnostics%lowtemp
else
lowtemp = 10000.d0
endif
enddo
! medium ionisation
cliiiDens = 0.D0
ciiiDens = 0.D0
arivDens = 0.D0
oiiiIRdens = 0.D0
ariiiIRdens = 0.D0
siiiIRdens = 0.D0
neiiiIRdens = 0.D0
medtemp = lowtemp
do i = 1,2
counter = 0
call get_diagnostic("[Cl III] ","1,2/ ","1,3/ ",cliiiNratio,"D",medtemp, cliiiDens,maxlevs,maxtemps,atomicdata,iion,tlower,tupper)
call get_diagnostic("[C III] ","1,3/ ","1,4/ ",ciiiNratio,"D",medtemp, ciiiDens,maxlevs,maxtemps,atomicdata,iion,tlower,tupper)
call get_diagnostic("[Ar IV] ","1,2/ ","1,3/ ",arivNratio,"D",medtemp, arivDens,maxlevs,maxtemps,atomicdata,iion,tlower,tupper)
! IR densities, not included in average
!Ar, S, Ne, O
call get_diagnostic("[O III] ","1,2/ ","2,3/ ",oiiiIRNratio,"D",medtemp, oiiiIRDens,maxlevs,maxtemps,atomicdata,iion,tlower,tupper)
call get_diagnostic("[Ar III] ","1,2/ ","2,3/ ",ariiiIRNratio,"D",medtemp, ariiiIRDens,maxlevs,maxtemps,atomicdata,iion,tlower,tupper)
call get_diagnostic("[S III] ","1,2/ ","2,3/ ",siiiIRNratio,"D",medtemp, siiiIRDens,maxlevs,maxtemps,atomicdata,iion,tlower,tupper)
call get_diagnostic("[Ne III] ","1,2/ ","2,3/ ",neiiiIRNratio,"D",medtemp, neiiiIRDens,maxlevs,maxtemps,atomicdata,iion,tlower,tupper)
if (cliiiDens .le. 0.d0) weights%cliiiDens = 0.d0
if (ciiiDens .le. 0.d0) weights%ciiiDens = 0.d0
if (arivDens .le. 0.d0) weights%arivDens = 0.d0
if (oiiiIRDens .le. 0.d0) weights%oiiiIRDens = 0.d0
if (ariiiIRDens .le. 0.d0) weights%ariiiIRDens = 0.d0
if (siiiIRDens .le. 0.d0) weights%siiiIRDens = 0.d0
if (neiiiIRDens .le. 0.d0) weights%neiiiIRDens = 0.d0
if ((weights%cliiiDens + weights%ciiiDens + weights%arivDens) .eq. 0.d0 .and. diagnostics%meddens .eq. 0) then
meddens = lowdens
elseif (diagnostics%meddens .gt. 0.0) then
meddens = diagnostics%meddens
else
meddens = (weights%ciiiDens*ciiiDens + weights%cliiiDens*cliiiDens + weights%arivDens*arivDens + weights%oiiiIRDens*oiiiIRDens + weights%ariiiIRDens*ariiiIRDens + weights%siiiIRDens*siiiIRDens + weights%neiiiIRDens*neiiiIRDens) / (weights%cliiiDens + weights%ciiiDens + weights%arivDens + weights%oiiiIRDens + weights%ariiiIRDens + weights%siiiIRDens + weights%neiiiIRDens)
endif
if (meddens .le. 1.d0) meddens = 1.d0 !todo: output warning
counter = 0
call get_diagnostic("[O III] ","2,4,3,4/ ","4,5/ ",oiiiTratio,"T",meddens,oiiiTemp,maxlevs,maxtemps,atomicdata,iion,tlower,tupper)
call get_diagnostic("[S III] ","2,4,3,4/ ","4,5/ ",siiiTratio,"T",meddens,siiiTemp,maxlevs,maxtemps,atomicdata,iion,tlower,tupper)
call get_diagnostic("[Ar III] ","1,4,2,4/ ","4,5/ ",ariiiTratio,"T",meddens,ariiitemp,maxlevs,maxtemps,atomicdata,iion,tlower,tupper)
call get_diagnostic("[Ne III] ","1,4,2,4/ ","4,5/ ",neiiiTratio,"T",meddens,neiiitemp,maxlevs,maxtemps,atomicdata,iion,tlower,tupper)
call get_diagnostic("[Ne III] ","1,4,2,4/ ","1,2/ ",neiiiIRTratio,"T",meddens,neiiiIRtemp,maxlevs,maxtemps,atomicdata,iion,tlower,tupper)
call get_diagnostic("[O III] ","2,4,3,4/ ","2,3/ ",oiiiIRTratio,"T",oiiiIRdens,oiiiIRtemp,maxlevs,maxtemps,atomicdata,iion,tlower,tupper)
call get_diagnostic("[O III] ","2,4,3,4/ ","3,6/ ",oiiiUVTratio,"T",oiidens,oiiiUVtemp,maxlevs,maxtemps,atomicdata,iion,tlower,tupper)
!averaging
if (oiiiTemp .le. tlower .or. oiiiTemp .gt. tupper) weights%oiiiTemp = 0.d0
if (siiiTemp .le. tlower .or. siiiTemp .gt. tupper) weights%siiiTemp = 0.d0
if (ariiiTemp .le. tlower .or. ariiiTemp .gt. tupper) weights%ariiiTemp = 0.d0
if (neiiiTemp .le. tlower .or. neiiiTemp .gt. tupper) weights%neiiiTemp = 0.d0
if ((weights%oiiitemp + weights%siiitemp + weights%ariiitemp + weights%neiiitemp) .gt. 0 .and. diagnostics%medtemp .eq. 0.0) then
medtemp = (weights%oiiitemp*oiiitemp + weights%siiitemp*siiitemp + weights%ariiitemp*ariiitemp + weights%neiiitemp*neiiitemp) / (weights%oiiitemp + weights%siiitemp + weights%ariiitemp + weights%neiiitemp)
elseif (diagnostics%medtemp .gt. 0.0) then
medtemp = diagnostics%medtemp
else
medtemp = lowtemp
endif
!dereddening again
if (calculate_extinction) then
!update extinction. DS 22/10/11
meanextinction=0
call calc_extinction_coeffs(linelist,H_Balmer, c1, c2, c3, meanextinction, medtemp, lowdens,weights%ha,weights%hg,weights%hd,hidata)
if (meanextinction .lt. 0.0 .or. isnan(meanextinction)) then
meanextinction = 0.d0
endif
linelist = linelist_orig
call deredden(linelist, meanextinction)
endif ! end of extinction calculating
enddo ! end of diagnostic iteration
!if there is no lowtemp, set it to medtemp
!this would break if lowtemp was actually calculated to be 10000.d0 but I think the probability of that is low enough that we can live without checking for it
if (lowtemp .eq. 10000.d0 .and. medtemp .ne. 10000.d0) lowtemp = medtemp
iteration_result(1)%cHb_ha = c1
iteration_result(1)%cHb_hg = c2
iteration_result(1)%cHb_hd = c3
iteration_result(1)%mean_cHb = meanextinction
! high ionisation
hightemp = medtemp
do i = 1,2
call get_diagnostic("[Ne IV] ","1,2/ ","1,3/ ",neivNratio,"D",hightemp, neivDens,maxlevs,maxtemps,atomicdata,iion,tlower,tupper)
if (diagnostics%highdens .gt. 0.0) then
highdens = diagnostics%highdens
elseif (neivdens .le. 0d0) then
neivdens = 0d0
highdens = meddens
else
highdens = neivDens !(neivdens*weights%neivdens) / weights%neivdens but we only have one high density diagnostic
endif
if (highdens .lt. 1.d0) highdens = 1.d0 !todo: output warning
counter = 0
call get_diagnostic("[Ar V] ","2,4,3,4/ ","4,5/ ",arvTratio,"T",highdens,arvTemp,maxlevs,maxtemps,atomicdata,iion,tlower,tupper)
call get_diagnostic("[Ne V] ","2,4,3,4/ ","4,5/ ",nevTratio,"T",highdens,nevtemp,maxlevs,maxtemps,atomicdata,iion,tlower,tupper)
if (arvTemp .le. tlower .or. arvTemp .gt. tupper) weights%arvTemp = 0.d0
if (nevTemp .le. tlower .or. nevTemp .gt. tupper) weights%nevTemp = 0.d0
if ((weights%arvTemp+weights%nevTemp) .gt. 0 .and. diagnostics%hightemp .eq. 0) then
hightemp = (arvtemp*weights%arvTemp + nevtemp*weights%nevTemp) / (weights%arvTemp+weights%nevTemp)
elseif (diagnostics%hightemp .gt. 0.0) then
hightemp = diagnostics%hightemp
else
hightemp = medtemp
endif
enddo
!done calculating, now write results and ratios to arrays.
!edited diagnostic section to reflect above changes which stopped high/low limit densities/temperatures being included in averages. High limit cases set to 0.1 so that we know that it was in the high limit and not the low limit. DJS
iteration_result(1)%OII_density_ratio = oiiNratio
iteration_result(1)%OII_density = oiidens
iteration_result(1)%SII_density_ratio = siiNratio
iteration_result(1)%SII_density = siidens
iteration_result(1)%low_density = lowdens
if(niitemp .gt. 0.2)then
iteration_result(1)%NII_temp = niitemp
else if(INT(niitemp) .eq. -1)then
iteration_result(1)%NII_temp = tupper
endif
iteration_result(1)%NII_temp_ratio = niiTratio
if(oiitemp .gt. 0.2)then
iteration_result(1)%OII_temp = oiitemp
else if(INT(oiitemp) .eq. -1)then
iteration_result(1)%OII_temp = 20000
endif
iteration_result(1)%OII_temp_ratio = oiiTratio
if(siitemp .gt. 0.2 )then
iteration_result(1)%SII_temp = siitemp
else if(INT(siitemp) .eq. -1)then
iteration_result(1)%SII_temp = tupper
endif
iteration_result(1)%SII_temp_ratio = siiTratio
if(oitemp .gt. 0.2 )then
iteration_result(1)%OI_temp = oitemp
else if(INT(oitemp) .eq. -1)then
iteration_result(1)%OI_temp = tupper
endif
iteration_result(1)%OI_temp_ratio = oiTratio
if(citemp .gt. 0.2 )then
iteration_result(1)%CI_temp = citemp
else if(INT(citemp) .eq. -1)then
iteration_result(1)%CI_temp = tupper
endif
iteration_result(1)%CI_temp_ratio = ciTratio
iteration_result(1)%low_temp = lowtemp
iteration_result(1)%ClIII_density = cliiidens
iteration_result(1)%ArIV_density = arivdens
iteration_result(1)%CIII_density = ciiidens
iteration_result(1)%OIII_IR_density = oiiiIRdens
iteration_result(1)%ArIII_IR_density = ariiiIRdens
iteration_result(1)%SIII_IR_density = siiiIRdens
iteration_result(1)%NeIII_IR_density = neiiiIRdens
iteration_result(1)%ClIII_density_ratio = cliiiNratio
iteration_result(1)%ArIV_density_ratio = arivNratio
iteration_result(1)%CIII_density_ratio = ciiiNratio
iteration_result(1)%OIII_IR_density_ratio = oiiiIRNratio
iteration_result(1)%ArIII_IR_density_ratio = ariiiIRNratio
iteration_result(1)%SIII_IR_density_ratio = siiiIRNratio
iteration_result(1)%NeIII_IR_density_ratio = neiiiIRNratio
iteration_result(1)%med_density = meddens
if(oiiitemp .gt. 0.2)then
iteration_result(1)%OIII_temp = oiiitemp
else if(INT(oiiitemp) .eq. -1)then
iteration_result(1)%OIII_temp = tupper
endif
iteration_result(1)%OIII_temp_ratio = oiiiTratio
if(neiiitemp .gt. 0.2)then
iteration_result(1)%NeIII_temp = neiiitemp
else if(INT(neiiitemp) .eq. -1)then
iteration_result(1)%NeIII_temp = tupper
endif
iteration_result(1)%NeIII_temp_ratio = neiiiTratio
if(ariiitemp .gt. 0.2)then
iteration_result(1)%ArIII_temp = ariiitemp
else if(INT(ariiitemp) .eq. -1)then
iteration_result(1)%ArIII_temp = tupper
endif
iteration_result(1)%ArIII_temp_ratio = AriiiTratio
if(siiitemp .gt. 0.2)then
iteration_result(1)%SIII_temp = siiitemp
else if(int(siiitemp) .eq. -1)then
iteration_result(1)%SIII_temp = tupper
endif
iteration_result(1)%SIII_temp_ratio = siiiTratio
if(oiiiIRtemp .gt. 0.2)then
iteration_result(1)%OIII_IR_temp = oiiiIRtemp
else if(int(oiiiIRtemp) .eq. -1)then
iteration_result(1)%OIII_IR_temp = tupper
endif
iteration_result(1)%OIII_IR_temp_ratio = oiiiIRTratio
if(oiiiUVtemp .gt. 0.2)then
iteration_result(1)%OIII_UV_temp = oiiiUVtemp
else if(int(oiiiUVtemp) .eq. -1)then
iteration_result(1)%OIII_UV_temp = tupper
endif
iteration_result(1)%OIII_UV_temp_ratio = oiiiUVTratio
if(neiiiIRtemp .gt. 0.2)then
iteration_result(1)%NeIII_IR_temp = neiiiIRtemp
else if(int(neiiiIRtemp) .eq. -1)then
iteration_result(1)%NeIII_IR_temp = tupper
endif
iteration_result(1)%NeIII_IR_temp_ratio = NeiiiTratio
iteration_result(1)%med_temp = medtemp
iteration_result(1)%NeIV_density = neivdens
iteration_result(1)%high_density = highdens
iteration_result(1)%ArV_temp = arvtemp
iteration_result(1)%NeV_temp = nevtemp
iteration_result(1)%high_temp = hightemp
iteration_result(1)%NeIV_density_ratio = neivNratio
iteration_result(1)%ArV_temp_ratio = arvTratio
iteration_result(1)%NeV_temp_ratio = nevTratio
! Helium abundances
! He II
call get_heii_abund_new(linelist,HeII_lines,medtemp,meddens,heiiabund)
! if (Heii_lines(4,3) .gt. 0) then
! call get_heii_abund(medtemp,meddens,linelist(Heii_lines(4,3))%int_dered,heiiabund)
! linelist(Heii_lines(4,3))%abundance = heiiabund
! else
! heiiabund = 0.d0
! endif
! He I
if (switch_he .eq. "S") then
call get_hei_smits_new(linelist,medtemp,meddens,HeI_lines,heidata, Heiabund, weights%he4471, weights%he5876, weights%he6678)
else
call get_hei_porter(linelist,medtemp,meddens,HeI_lines,heidata, Heiabund, weights%he4471, weights%he5876, weights%he6678)
endif
hetotabund = heiabund + heiiabund
! Calculate T_e from Balmer Jump using equation 3 of Liu et al. (2001)
Te_balmer = 0.d0
Balmer_jump(1)%int_dered = 0.d0
Balmer_jump(2)%int_dered = 0.d0
do i=1,listlength
if(linelist(i)%wavelength .eq. 3630.0) Balmer_jump(1) = linelist(i)
if(linelist(i)%wavelength .eq. 3700.0) Balmer_jump(2) = linelist(i)
enddo
if(Balmer_jump(2)%int_dered .gt. 0 .and. Balmer_jump(1)%int_dered .gt. Balmer_jump(2)%int_dered .and. H_Balmer(11) .gt. 0) then
Te_balmer = (Balmer_jump(1)%int_dered - Balmer_jump(2)%int_dered)/linelist(H_Balmer(11))%int_dered
Te_balmer = Te_balmer**(-1.5)
Te_balmer = Te_balmer*368
Te_balmer = Te_balmer*(1+0.256*heiabund+3.409*heiiabund)
endif
iteration_result%Balmer_jump_temp = Te_balmer
!and from Paschen jump, using equation 7 of Fang et al. (2011)
Te_paschen = 0.d0
Paschen_jump(1)%int_dered = 0.d0
Paschen_jump(2)%int_dered = 0.d0
do i=1,listlength
if(linelist(i)%wavelength .eq. 8100.d0) Paschen_jump(1) = linelist(i)
if(linelist(i)%wavelength .eq. 8400.d0) Paschen_jump(2) = linelist(i)
enddo
if(Paschen_jump(2)%int_dered .gt. 0 .and. Paschen_jump(1)%int_dered .gt. Paschen_jump(2)%int_dered .and. H_Paschen(11) .gt. 0) then
Te_paschen = (Paschen_jump(1)%int_dered - Paschen_jump(2)%int_dered)/linelist(H_Paschen(11))%int_dered
Te_paschen = Te_paschen**(-1.77)
Te_paschen = Te_paschen*8.72
Te_paschen = Te_paschen*(1+0.52*heiabund+4.40*heiiabund)
endif
iteration_result%Paschen_jump_temp = Te_paschen
! calculate n_e from Balmer decrement
call balmer_densities(linelist,H_Balmer,medtemp,balmerdec_density)
iteration_result%balmerdec_density=balmerdec_density
! and from Paschen decrement. todo: add to iteration result
call paschen_densities(linelist,H_Paschen,medtemp,paschendec_density)
iteration_result%paschendec_density=paschendec_density
! get Te from He line ratios
! equations derived from Smits 1996 data, at ne=5000.
! to be replaced with proper interpolation in density and using whichever dataset was selected
! Te(5876/4471) = a*r**4 + b*r**3 + c*r**2 + d*r + e + f/(r-g)
! a=6858; b=-99452.0; c=541944.8; d=-1317918.7; e=1210016.1; f=23.21; g=2.833
! accurate to +-50K
! Te(6678/4471) = a*r**2+b*r+c (r<0.775)
! a*r**4+b**r*3+c**r*2+d**r+e (r>0.775)
! Te(7281/6678) = a*r**4+b**r*3+c**r*2+d**r+e
! coefficients are 2.695e7, -1.112e7, 1.824e6, 1.366e4, -1.025e3
ratio_5876_4471=0.d0
ratio_6678_4471=0.d0
ratio_7281_6678=0.d0
Te_5876_4471=0.d0
Te_6678_4471=0.d0
Te_7281_6678=0.d0
if (HeI_lines(10) .gt. 0 .and. HeI_lines(15) .gt.0) then
ratio_5876_4471=linelist(HeI_lines(15))%int_dered/linelist(HeI_lines(10))%int_dered
if (ratio_5876_4471.lt. 4.2 .and. ratio_5876_4471.gt. 2.84) then
Te_5876_4471 = 6858*ratio_5876_4471**4 - 99452.0*ratio_5876_4471**3 + 541944.8*ratio_5876_4471**2 - 1317918.7*ratio_5876_4471 + 1210016.1 + 23.21/(ratio_5876_4471-2.833)
endif
endif
if (HeI_lines(10) .gt. 0 .and. HeI_lines(16) .gt.0) then
ratio_6678_4471=linelist(HeI_lines(16))%int_dered/linelist(HeI_lines(10))%int_dered
if (ratio_6678_4471 .lt. 0.775 .and. ratio_6678_4471 .gt. 0.59) then
Te_6678_4471 = -64152.4*ratio_6678_4471**2 + 33203.3*ratio_6678_4471 + 22553.1
elseif (ratio_6678_4471 .ge. 0.775 .and. ratio_6678_4471 .lt. 1.2) then
Te_6678_4471 = 1.06363e+06*ratio_6678_4471**4 - 4.4416e+06*ratio_6678_4471**3 + 6.96343e+06*ratio_6678_4471**2 - 4.86749e+06*ratio_6678_4471 + 1.28347e+06
endif
endif
if (HeI_lines(16).gt. 0 .and. HeI_lines(18).gt.0) then
ratio_7281_6678=linelist(HeI_lines(18))%int_dered/linelist(HeI_lines(16))%int_dered
Te_7281_6678 = 2.695e7*ratio_7281_6678**4 - 1.112e7*ratio_7281_6678**3 + 1.824e6*ratio_7281_6678**2 + 1.366e4*ratio_7281_6678 - 1.025e3
endif
iteration_result%ratio_5876_4471=ratio_5876_4471
iteration_result%ratio_6678_4471=ratio_6678_4471
iteration_result%ratio_7281_6678=ratio_7281_6678
iteration_result%Te_5876_4471=Te_5876_4471
iteration_result%Te_6678_4471=Te_6678_4471
iteration_result%Te_7281_6678=Te_7281_6678
! get te and ne from OII RL diagnostics if we have them
oii4089=0.d0
oii4649=0.d0
oii4662=0.d0
do i=1,listlength
if (abs(linelist(i)%wavelength-4089.29) .lt. 0.006) oii4089=linelist(i)%int_dered
if (abs(linelist(i)%wavelength-4649.13) .lt. 0.006) oii4649=linelist(i)%int_dered
if (abs(linelist(i)%wavelength-4661.63) .lt. 0.006) oii4662=linelist(i)%int_dered
enddo
if (oii4089.gt.0 .and. oii4649.gt.0 .and. oii4662.gt.0) then
call oii_rl_diagnostics(oii4649/oii4089,oii4649/oii4662,oii_te,oii_ne)
iteration_result%oii_te=oii_te
iteration_result%oii_ne=oii_ne
iteration_result%oii_rl_R1=oii4649/oii4089
iteration_result%oii_rl_R2=oii4649/oii4662
else
iteration_result%oii_te=0.d0
iteration_result%oii_ne=0.d0
endif
! get abundances for all CELs
do i = 1,size(ILs)
if (ILs(i)%location .gt. 0) then !the line is in the spectrum
if (ILs(i)%zone .eq. "low ") then
call get_abundance(ILs(i)%ion, ILs(i)%transition, lowtemp, lowdens,linelist(ILs(i)%location)%int_dered, linelist(ILs(i)%location)%abundance,maxlevs,maxtemps,atomicdata,iion)
elseif (ILs(i)%zone .eq. "med ") then
call get_abundance(ILs(i)%ion, ILs(i)%transition, medtemp, meddens,linelist(ILs(i)%location)%int_dered, linelist(ILs(i)%location)%abundance,maxlevs,maxtemps,atomicdata,iion)
elseif (ILs(i)%zone .eq. "high") then
call get_abundance(ILs(i)%ion, ILs(i)%transition, hightemp, highdens,linelist(ILs(i)%location)%int_dered, linelist(ILs(i)%location)%abundance,maxlevs,maxtemps,atomicdata,iion)
endif
if ((linelist(ILs(i)%location)%abundance .ge. 10 ) .or. (linelist(ILs(i)%location)%abundance .lt. 1E-10)) then !filter out bad results
linelist(ILs(i)%location)%abundance = 0
endif
endif
enddo
! calculate averages
call get_average_abundance("nii5754 ","nii6584 ", niiCELabund)
niiiIRCELabund = get_cel_abundance("niii57um ",linelist,ILs)
niiiUVCELabund = get_cel_abundance("niii1751 ",linelist,ILs)
call get_average_abundance("niii1751 ","niii57um ",niiiCELabund)
call get_average_abundance("niv1483 ","niv1485b ",nivCELabund) !would screw up if blend and non blends were both in linelist
nvCELabund = get_cel_abundance("nv1240 ",linelist,ILs)
call get_average_abundance("oii3726 ","oii7330b ",oiiCELabund)
call get_average_abundance("oiii4363 ","oiii5007 ",oiiiCELabund)
call get_average_abundance("oiii52um ","oiii88um ",oiiiIRCELabund)
oivCELabund = get_cel_abundance("oiv25p9um ",linelist,ILs)
neiiIRCELabund = get_cel_abundance("neii12p8um ",linelist,ILs)
neiiiIRCELabund = get_cel_abundance("neiii15p5um ",linelist,ILs)
call get_average_abundance("neiii3868 ","neiii3967 ",neiiiCELabund)
call get_average_abundance("neiv2423 ","neiv4725b ",neivCELabund) ! would screw up if blends and non blends were given
call get_average_abundance("sii4068 ","sii6731 ",siiCELabund)
!SIII is a special case due to telluric absorption of one or the other of 9069/9531. Which one is affected is deduced by the fix_siii subroutine, which sets the weight of the affected line to zero.
call fix_siii
call get_average_abundance("siii18p7um ","siii9531 ",siiiCELabund)
siiiIRCELabund = get_cel_abundance("siii18p7um ",linelist,ILs)
sivIRCELabund = get_cel_abundance("siv10p5um ",linelist,ILs)
call get_average_abundance("clii3678 ","clii9124 ",cliiCELabund)
call get_average_abundance("cliv3118 ","cliv8046 ",clivCELabund)
call get_average_abundance("cliii5517 ","cliii5537 ",cliiiCELabund)
call get_average_abundance("ariii7135 ","ariii7751 ",ariiiCELabund)
call get_average_abundance("ariv4711 ","ariv4740 ",arivCELabund)
ariiiIRCELabund = get_cel_abundance("ariii9um ",linelist,ILs)
ciiCELabund = get_cel_abundance("cii2325 ",linelist,ILs)
civCELabund = get_cel_abundance("civ1548 ",linelist,ILs)
call get_average_abundance("ciii1907 ","ciii1909b ",ciiiCELabund) ! would break if blend and individual lines were both specified
call get_average_abundance("neiv2423 ","neiv2424b ",neivCELabund) ! would break if blend and individual lines were both specified
call get_average_abundance("nev3345 ","nev3426 ",nevCELabund)
call get_average_abundance("arv6435 ","arv7005 ",arvCELabund)
call get_average_abundance("ci9824 ","ci9850 ",ciCELabund)
NCabundCEL = ciCELabund
call get_average_abundance("oi6300 ","oi6364 ",oiCELabund)
NOabundCEL = oiCELabund
! now get abundances for ORLs
call get_aeff_hb(medtemp,meddens,aeff_hb,em_hb)
! o2+
! call oii_rec_lines(medtemp,meddens,1.d0,oiiRLs,aeff_hb,em_hb)
call oii_rec_lines_s2017(medtemp,meddens,1.d0,oiiRLs_s2017,em_hb)
do i = 1,listlength
do j = 1,size(oiiRLs_s2017)
if (abs(linelist(i)%wavelength-oiiRLs_s2017(j)%Wave) .le. 0.006) then
oiiRLs_s2017(j)%Obs = linelist(i)%int_dered
if (oiiRLs_s2017(j)%Int .eq. 0.0) then
oiiRLs_s2017(j)%abundance = 0.D0
else
oiiRLs_s2017(j)%abundance = oiiRLs_s2017(j)%obs/oiiRLs_s2017(j)%Int
endif
linelist(i)%abundance = oiiRLs_s2017(j)%abundance
endif
enddo
enddo
!N2+
call nii_rec_lines(medtemp,1.d0,niiRLs,em_hb)
do i = 1,listlength
do j = 1,size(niiRLs)
if (abs(linelist(i)%wavelength-niiRLs(j)%Wave) .le. 0.006) then
niiRLs(j)%Obs = linelist(i)%int_dered
niiRLs(j)%abundance = niiRLs(j)%obs/niiRLs(j)%Int
linelist(i)%abundance = niiRLs(j)%abundance
endif
enddo
enddo
!C2+
call cii_rec_lines(medtemp,1.d0,ciiRLs,aeff_hb)
do i = 1,listlength
do j = 1,size(ciiRLs)
if (abs(linelist(i)%wavelength-ciiRLs(j)%Wave) .le. 0.006) then
ciiRLs(j)%Obs = linelist(i)%int_dered
ciiRLs(j)%abundance = ciiRLs(j)%obs/ciiRLs(j)%Int
linelist(i)%abundance = ciiRLs(j)%abundance
endif
enddo
enddo
!Ne2+
call neii_rec_lines(medtemp,1.d0,neiiRLs,aeff_hb)
do i = 1,listlength
do j = 1,size(neiiRLs)
if (abs(linelist(i)%wavelength-neiiRLs(j)%Wave) .le. 0.006) then
neiiRLs(j)%Obs = linelist(i)%int_dered
neiiRLs(j)%abundance = neiiRLs(j)%obs/neiiRLs(j)%Int
linelist(i)%abundance = neiiRLs(j)%abundance
endif
enddo
enddo
!C3+, N3+
call xiii_rec_lines(medtemp,1.d0,xiiiRLs,aeff_hb)
do i = 1,listlength
do j = 1,size(xiiiRLs)
if (abs(linelist(i)%wavelength-xiiiRLs(j)%Wave) .le. 0.006) then
xiiiRLs(j)%Obs = linelist(i)%int_dered
xiiiRLs(j)%abundance = xiiiRLs(j)%obs/xiiiRLs(j)%Int
linelist(i)%abundance = xiiiRLs(j)%abundance
endif
enddo
enddo
rlabundtemp = 0.d0
weight = 0.d0
!cii recombination lines
do i = 1,size(ciiRLs)
if (ciiRLs(i)%wave .eq. 4267.15D0) then
cii4267rlabund = ciiRLs(i)%abundance
endif
enddo
if (sum(ciiRLs%obs) .gt. 0.d0) ciirlabund = sum(ciiRLs%obs)/sum(ciiRLs%int, mask=ciiRLs%obs .gt. 0.d0)
!nii recombination lines
if (sum(niiRLs%int) .gt. 0) then
niimultiplets%Multiplet = (/"V3 ","V5 ","V8 " ,"V12 ","V20 ","V28 ","3d-4f "/)
niimultiplets%weight = (/ weights%niiV3,weights%niiV5,weights%niiV8,weights%niiV12,weights%niiV20,weights%niiV28,weights%nii3d4f /)
! get observed and predicted coadded intensity for each multiplet
do j = 1,6
niimultiplets(j)%coadded_observed=sum(niiRLs%obs,mask=niiRLs%Mult .eq. niimultiplets(j)%Multiplet .and. niiRLs%obs .gt. 0)
niimultiplets(j)%coadded_predicted=sum(niiRLs%Int,mask=niiRLs%Mult .eq. niimultiplets(j)%Multiplet .and. niiRLs%obs .gt. 0)
enddo
!3d-4f transitions
niimultiplets(7)%coadded_observed=sum(niiRLs%obs,mask=niiRLs%obs .gt. 0 .and. (niiRLs%Mult(4:4) .eq. "a" .or. niiRLs%Mult(4:4).eq."b"))
niimultiplets(7)%coadded_predicted=sum(niiRLs%Int,mask=niiRLs%obs .gt. 0 .and. (niiRLs%Mult(4:4) .eq. "a" .or. niiRLs%Mult(4:4).eq."b"))
!get multiplet abundances from coadded intensity
where (niimultiplets%coadded_observed.gt.0)
niimultiplets%abundance = niimultiplets%coadded_observed / niimultiplets%coadded_predicted
elsewhere
niimultiplets%abundance = 0
endwhere
! set the weights. >0 = weight, <0 = coadded intensity. if multiplet not observed, weight = 0
! final abundance = weighted average of multiplet abundances
where (niimultiplets%abundance .eq. 0.d0)
niimultiplets%weight = 0
endwhere
where (niimultiplets%weight .lt. 0.d0)
niimultiplets%weight = -niimultiplets%weight * niimultiplets%coadded_observed
endwhere
if (sum(niimultiplets%weight).gt.0.d0) then
niiRLabund = sum(niimultiplets%abundance*niimultiplets%weight)/sum(niimultiplets%weight)
else
niiRLabund = 0.D0
endif
! simple checks for the reliability of the abundance: flagged as unreliable if any of the following apply:
! - only one multiplet detected
! - any multiplets have >3x the abundance of the lowest value
! todo: report which multiplets exceed 3x
if (maxval(niimultiplets%abundance,mask=(niimultiplets%weight.gt.0.d0)) .gt. 3.0*minval(niimultiplets%abundance,mask=(niimultiplets%weight.gt.0.d0 .and. niimultiplets%abundance.gt.0.d0)) .or. count(niimultiplets%abundance .gt. 0.d0) .le. 1) then
niiRLreliable = .false.
else
niiRLreliable = .true.
endif
endif
!oii recombination lines
if (sum(oiiRLs_s2017%Int).gt. 0) then
oiimultiplets%Multiplet = (/"V1 ","V2 ","V5 " ,"V10 ","V11 ","V12 ","V19 ","V20 ","V25 ","V28 ","V33 "," 3d-4f "/)
oiimultiplets%weight = (/ weights%oiiV1, weights%oiiV2, weights%oiiV5, weights%oiiV10, weights%oiiV11, weights%oiiV12, weights%oiiV19, weights%oiiV20, weights%oiiV25, weights%oiiV28, weights%oiiV33, weights%oii3d4f /)
! get observed and predicted coadded intensity for each multiplet
do j = 1,11
oiimultiplets(j)%coadded_observed=sum(oiiRLs_s2017%obs,mask=oiiRLs_s2017%Mult .eq. oiimultiplets(j)%Multiplet .and. oiiRLs_s2017%obs .gt. 0)
oiimultiplets(j)%coadded_predicted=sum(oiiRLs_s2017%Int,mask=oiiRLs_s2017%Mult .eq. oiimultiplets(j)%Multiplet .and. oiiRLs_s2017%obs .gt. 0)
enddo
! 3d-4f transitions
oiimultiplets(12)%coadded_observed=sum(oiiRLs_s2017%obs,mask=oiiRLs_s2017%Term1(1:2) .eq. "3d" .and. oiiRLs_s2017%Term2(1:2) .eq. "4f" .and. oiiRLs_s2017%Mult .ne. " " .and. oiiRLs_s2017%obs .gt. 0)
oiimultiplets(12)%coadded_predicted=sum(oiiRLs_s2017%Int,mask=oiiRLs_s2017%Term1(1:2) .eq. "3d" .and. oiiRLs_s2017%Term2(1:2) .eq. "4f" .and. oiiRLs_s2017%Mult .ne. " " .and. oiiRLs_s2017%obs .gt. 0)
!get multiplet abundances from coadded intensity
where (oiimultiplets%coadded_observed.gt.0)
oiimultiplets%abundance = oiimultiplets%coadded_observed / oiimultiplets%coadded_predicted
elsewhere
oiimultiplets%abundance = 0
endwhere
! set the weights. >0 = weight, <0 = coadded intensity. if multiplet not observed, weight = 0
! final abundance = weighted average of multiplet abundances
where (oiimultiplets%abundance .eq. 0.d0)
oiimultiplets%weight = 0
endwhere
where (oiimultiplets%weight .lt. 0.d0)
oiimultiplets%weight = -oiimultiplets%weight * oiimultiplets%coadded_observed
endwhere
if (sum(oiimultiplets%weight).gt.0.d0) then
oiiRLabund = sum(oiimultiplets%abundance*oiimultiplets%weight)/sum(oiimultiplets%weight)
else
oiiRLabund = 0.D0
endif
! simple checks for the reliability of the abundance: flagged as unreliable if any of the following apply:
! - only one multiplet detected
! - any multiplets have >3x the abundance of the lowest value
! - neither V1 nor V10 is detected
! todo: report which multiplets exceed 3x
if (maxval(oiimultiplets%abundance,mask=(oiimultiplets%weight.gt.0.d0)) .gt. 3.0*minval(oiimultiplets%abundance,mask=(oiimultiplets%weight.gt.0.d0 .and. oiimultiplets%abundance.gt.0.d0)) .or. (oiimultiplets(1)%abundance.eq.0.d0 .and. oiimultiplets(4)%abundance.eq.0.d0) .or. count(oiimultiplets%abundance .gt. 0.d0) .le. 1) then
oiiRLreliable = .false.
else
oiiRLreliable = .true.
endif
endif
!neii recombination lines
rlabundtemp = 0.d0
weight = 0.d0
if (sum(neiiRLs%Int, mask=neiiRLs%obs.gt.0.d0) .gt. 0) then
neiiRLabund = sum(neiiRLs%obs)/sum(neiiRLs%Int, mask=neiiRLs%obs.gt.0.d0)
else
neiiRLabund = 0.D0
endif
!C3+ and N3+
rlabundtemp=0.d0
weight=0.d0
do i=1,4
rlabundtemp = rlabundtemp + xiiiRLs(i)%obs
weight = weight + xiiiRLs(i)%Int
enddo
if (weight .gt. 0) then
ciiiRLabund = rlabundtemp/weight
else
ciiiRLabund = 0.d0
endif
rlabundtemp=0.d0
weight=0.d0
do i=5,6
rlabundtemp = rlabundtemp + xiiiRLs(i)%obs
weight = weight + xiiiRLs(i)%Int
enddo
if (weight .gt. 0) then
niiiRLabund = rlabundtemp/weight
else
niiiRLabund = 0.d0
endif
! calculate recombination contributions to CELs using equations 1-3 from Liu et al. 2000
! equations give recombination flux relative to Hb=1
if (get_cel_flux("nii5754 ",linelist,ILs) .gt. 0.d0) then
if (niiicelabund .gt. 0.d0) then
nii5754recCEL=10000.*(3.19*(medtemp/1.e4)**0.30*niiicelabund)/get_cel_flux("nii5754 ",linelist,ILs)
endif
if (niirlabund .gt. 0.d0) then
nii5754recRL=10000.*(3.19*(medtemp/1.e4)**0.30*niirlabund)/get_cel_flux("nii5754 ",linelist,ILs)
endif
endif
if (get_cel_flux("oii7319b ",linelist,ILs) .gt. 0 .and. get_cel_flux("oii7330b ",linelist,ILs) .gt. 0) then
if (oiiicelabund .gt. 0) then
oii7325recCEL=10000.*(9.36*(medtemp/1.e4)**0.44*oiiicelabund)/(get_cel_flux("oii7319b ",linelist,ILs)+get_cel_flux("oii7330b ",linelist,ILs))
endif
if (oiiRLabund .gt. 0) then
oii7325recRL=10000.*(9.36*(medtemp/1.e4)**0.44*oiirlabund)/(get_cel_flux("oii7319b ",linelist,ILs)+get_cel_flux("oii7330b ",linelist,ILs))
endif
endif
if (get_cel_flux("oiii4363 ",linelist,ILs) .gt. 0 .and. heiabund .gt. 0) then
oiii4363recCEL=10000.*12.4*(hightemp/1.e4)**0.59*(((hetotabund/heiabund)**0.66666)-1)*(oiicelabund+oiiicelabund)/get_cel_flux("oiii4363 ",linelist,ILs)
oiii4363recRL=10000.*12.4*(hightemp/1.e4)**0.59*(((hetotabund/heiabund)**0.66666)-1)*(oiiRLabund)/get_cel_flux("oiii4363 ",linelist,ILs)
endif
! rerun all calculations if we need to subtract the recombination contribution.
enddo !subtract_recombination
! ICFs
! first calculate the helium factor that appears in the ORL ICFs and several KB94 ICFS
! if no he lines are seen set this factor to zero, so that abundances relying on
! this ratio are not calculated.
if (heiabund .gt. 0.) then
heICFfactor = (heiabund + heiiabund)/heiabund
elseif (heiabund .eq.0. .and. heiiabund .eq.0.0) then
heICFfactor = 0.d0
endif
! now apply the scheme chosen by the user
if (switch_icf .eq. "K") then
! ICFs (Kingsburgh + Barlow 1994)
! oxygen - complete
OabundCEL = 0.d0
if (oiiCELabund .ge. 1e-20 .and. oiiiCELabund .ge. 1e-20 .and. oivCELabund .ge. 1e-20 .and. nvCELabund .ge. 1e-20)then ! O3+ and N4+
fn4 = (nvCELabund)/(niiCELabund + niiiCELabund + nivCELabund + nvCELabund) !A4
CELicfO = 1./(1.-0.95*fn4) !A5
OabundCEL = CELicfO * (oiiCELabund + oiiiCELabund + oivCELabund) !A6
elseif (oiiCELabund .ge. 1e-20 .and. oiiiCELabund .ge. 1e-20 .and. oivCELabund .ge. 1e-20 .and. nvCELabund .lt. 1e-20) then ! O3+ but no N4+
CELicfO = 1
OabundCEL = oiiCELabund + oiiiCELabund + oivCELabund !sum of visible ionisation stages
elseif (oiiCELabund .ge. 1e-20 .and. oiiiCELabund .ge. 1e-20 .and. oivCELabund .lt. 1e-20 .and. nvCELabund .ge. 1e-20) then !no O3+ but N4+
CELicfO = (niiCELabund + niiiCELabund + nivCELabund + nvCELabund) / (niiCELabund + niiiCELabund) ! A7
OabundCEL = CELicfO * (oiiCELabund + oiiiCELabund) ! A8
elseif (oiiCELabund .ge. 1e-20 .and. oiiiCELabund .ge. 1e-20 .and. oivCELabund .lt. 1e-20 .and. nvCELabund .lt. 1e-20)then !no O3+ or N4+ seen
CELicfO = heICFfactor**(2./3.) !KB94 A9
OabundCEL = CELicfO * (oiiCELabund + oiiiCELabund) !A10
endif
! nitrogen - complete
NabundCEL = 0.d0
if (niiCELabund .ge. 1e-20 .and. niiiUVCELabund .ge. 1e-20 .and. nivCELabund .ge. 1e-20) then !all ionisation stages seen
CELicfN = 1.
NabundCEL = niiCELabund + niiiCELabund + nivCELabund
elseif (niiCELabund .ge. 1e-20 .and. niiiUVCELabund .lt. 1e-20 .and. nivCELabund .ge. 1e-20) then !no N2+ seen
CELicfN = 1.5
NabundCEL = 1.5*(niiCELabund + nivCELabund)
elseif (niiCELabund .ge. 1e-20 .and. niiiUVCELabund .lt. 1e-20 .and. nivCELabund .lt. 1e-20) then !Only N+ seen
CELicfN = OabundCEL/oiiCELabund
NabundCEL = niiCELabund * CELicfN
endif
! carbon - complete
CabundCEL = 0.d0
if (ciiCELabund .ge. 1e-20 .and. ciiiCELabund .ge. 1e-20 .and. civCELabund .ge. 1e-20 .and. heiiabund .lt. 1e-20) then !No C4+ but all other seen
CELicfC = 1.
CabundCEL = ciiCELabund + ciiiCELabund + civCELabund
elseif (ciiCELabund .lt. 1e-20 .and. ciiiCELabund .ge. 1e-20 .and. civCELabund .ge. 1e-20 .and. heiiabund .lt. 1e-20) then !No C4+, and no CII lines seen
CELicfC = (oiiCELabund + oiiiCELabund) / oiiiCELabund !A11
CabundCEL = CELicfC * (ciiCELabund + ciiiCELabund) !A12
elseif (ciiCELabund .lt. 1e-20 .and. ciiiCELabund .ge. 1e-20 .and. civCELabund .lt. 1e-20 .and. oiiiCELabund .ge. 1e-20) then !Only C2+ seen, but O2+ also seen
CELicfC = OabundCEL/oiiiCELabund !A13
CabundCEL = CELicfC * ciiiCELabund !A14
elseif (nvCELabund .ge. 1e-20 .and. heiiabund .ge. 1e-20) then !N4+ and He2+
fn4 = (nvCELabund)/(niiCELabund + niiiCELabund + nivCELabund + nvCELabund) !A4, A15
if (fn4 .lt. 0.29629) then !condition in KB94 is if icf(C)>5, but eqn A16 can go negative at high fn4 so this is a better check for the high-excitation case
CELicfC = 1/(1-(2.7*fn4))!A16
else
CELicfC = (niiCELabund + niiiCELabund + nivCELabund + nvCELabund) / (niiCELabund + niiiCELabund + nivCELabund) !A18
endif
CabundCEL = CELicfC * (ciiCELabund + ciiiCELabund + civCELabund) !A19
elseif (ciiCELabund .ge. 1e-20 .and. ciiiCELabund .ge. 1e-20 .and. civCELabund .ge. 1e-20 .and. heiiabund .ge. 1e-20 .and. nvCELabund .lt. 1e-20) then !PN is hot enough for He2+ but not for N4+
CELicfC = heICFfactor**(1./3.) !A20
CabundCEL = CELicfC * (ciiCELabund + ciiiCELabund + civCELabund) !A21
elseif (ciiCELabund .lt. 1e-20 .and. ciiiCELabund .ge. 1e-20 .and. civCELabund .ge. 1e-20) then !C+ not seen
CELicfC = 1/(1 - (niiCELabund/NabundCEL) - 2.7*(nvCELabund/NabundCEL)) !A22
if (CELicfC .gt. 5) then !if ICF is greater than 5
CELicfC = (niiCELabund + niiiCELabund + nivCELabund + nvCELabund)/(niiiCELabund + nivCELabund) !A23
endif
CabundCEL = CELicfC * (ciiiCELabund+ civCELabund) !A24
elseif (ciiCELabund .ge. 1e-20 .and. ciiiCELabund .ge. 1e-20 .and. civCELabund .ge. 1e-20 .and. heiiabund .ge. 1e-20 .and. (nivCELabund .lt. 1e-20 .or. nvCELabund .lt. 1e-20)) then !final case i think.
CELicfC = ((oiiCELabund + oiiiCELabund)/oiiiCELabund)*heICFfactor**(1./3.) !A25
CabundCEL = CELicfC * (ciiCELabund + ciiiCELabund + civCELabund) !A26
else
CabundCEL = 0.D0 ! nothing at all seen
CELicfC = 1.0
endif
! Neon - complete
NeabundCEL = 0.d0
if (neiiiCELabund .ge. 1e-20 .and. neivCELabund .ge. 1e-20 .and. nevCELabund .ge. 1e-20) then !all stages seen
CELicfNe = 1.
NeabundCEL = neiiiCELabund + neivCELabund + nevCELabund
elseif (neiiiCELabund .ge. 1e-20 .and. neivCELabund .lt. 1e-20 .and. nevCELabund .ge. 1e-20) then !no Ne IV seen
CELicfNe = 1.5
NeabundCEL = CELicfNe * (neiiiCELabund + nevCELabund) !KB94 A27
elseif (neiiiCELabund .ge. 1e-20 .and. neivCELabund .lt. 1e-20 .and. nevCELabund .lt. 1e-20) then !Only Ne2+ seen
CELicfNe = OabundCEL / oiiiCELabund !KB94 A28
NeabundCEL = CELicfNe * neiiiCELabund
endif
! Argon - complete
if (ariiiCELabund .ge. 1e-20 .and. arivCELabund .lt. 1e-20 .and. arvCELabund .lt. 1e-20) then !only Ar2+ seen
CELicfAr = 1.87 !KB94 A32
ArabundCEL = CELicfAr * ariiiCELabund !KB94 A33
elseif (ariiiCELabund .lt. 1e-20 .and. arivCELabund .ge. 1e-20 .and. arvCELabund .lt. 1e-20 .and. neiiiCELabund.gt.0.d0) then !Only Ar3+ seen
CELicfAr = NeabundCEL / neiiiCELabund !KB94 A34
ArabundCEL = CELicfAr * arivCELabund !KB94 A35
elseif (ariiiCELabund .ge. 1e-20 .and. arivCELabund .ge. 1e-20 .and. arvCELabund .ge. 1e-20 .and. NabundCEL.gt.0.d0) then !Ar 2+, 3+ and 4+ seen
CELicfAr = 1./(1.-(niiCELabund/NabundCEL))
ArabundCEL = CELicfAr * (ariiiCELabund + arivCELabund + arvCELabund) !KB94 A31
else
CELicfAR = 1.0
ArabundCEL = 0.d0
endif
! Sulphur
if (siiCELabund .ge. 1e-20 .and. siiiCELabund .ge. 1e-20 .and. sivIRCELabund .lt. 1e-20) then !both S+ and S2+
CELicfS = (1 - ( (1-(oiiCELabund/OabundCEL))**3.0 ) )**(-1.0/3.0) !KB94 A36
SabundCEL = CELicfS * (siiCELabund + siiiCELabund) !KB94 A37
elseif (siiCELabund .ge. 1e-20 .and. siiiCELabund .ge. 1e-20 .and. sivIRCELabund .ge. 1e-20) then !all states observed
CELicfS = 1.
SabundCEL = siiCELabund + siiiCELabund + sivIRCELabund
elseif (siiCELabund .ge. 1e-20 .and. siiiCELabund .lt. 1e-20 .and. sivIRCELabund .lt. 1e-20 .and. OabundCEL .gt. 0.d0) then !Only S+ observed
CELicfS = (((oiiiCELabund/oiiCELabund)**0.433) * 4.677) * (1-(1-((oiiCELabund/OabundCEL)**3)))**(-1./3.) ! KB94 A37 with S2+/S+ from A38
SabundCEL = CELicfS * siiCELabund
else
SabundCEL = 0.d0
CELicfS=1.d0
endif
!very high excitation cases, all He is doubly ionised
if (heiabund .lt. 1e-20 .and. heiiabund .ge. 1e-20) then
CELicfO = NeabundCEL / neiiiCELabund !A39
CELicfC = CELicfO !A39
OabundCEL = CELicfO * (oiiCELabund + oiiiCELabund + oivCELabund) !A40
CabundCEL = CELicfC * (ciiiCELabund + civCELabund) !A41
endif
!Chlorine - not included in KB94, this prescription is from Liu et al. (2000)
ClabundCEL = 0.d0
if (cliiiCELabund .ge. 1e-20 .and. siiiCELabund .ge. 1e-20) then
CELicfCl = SabundCEL/siiiCELabund
ClabundCEL = CELicfCl * cliiiCELabund
endif
elseif (switch_icf .eq. "P") then
!PTPR92 ICF - equation numbers in the paper are given in brackets
!CELs
!Carbon - no ICF specified
CabundCEL = 0.d0
CELicfC = 0.d0
!Chlorine - no ICF specified
ClabundCEL = 0.d0
CELicfCl = 0.d0
!Oxygen
OabundCEL = 0.d0
OabundCEL = oiiCELabund + oiiiCELabund ! (13)
!Nitrogen
NabundCEL = 0.d0
if (oiiCELabund .gt. 1e-20) then
CELicfN = OabundCEL/oiiCELabund
NabundCEL = niiCELabund * CELicfN ! (14)
endif
!Neon
NeabundCEL = 0.d0
if (oiiiCELabund .gt. 1e-20) then
CELicfNe = (oiiCELabund + oiiiCELabund)/oiiiCELabund
NeabundCEL = CELicfNe * NeiiiCELabund ! (15)
endif
!Sulphur - no ICF given in paper, see discussion on P168
SabundCEL = SiiCELabund + SiiiCELabund
!Argon - no ICF given in paper, see discussion on P168
ArabundCEL = AriiiCELabund + ArivCELabund
!Iron - TODO - to be added once we've added iron ionic abundance calculations
! if (niiCELabund .gt. 1.e-20) then
! CELicfFe = NabundCEL/niiCELabund
! FeabundCEL = CELicfFe * FeiiCELabund ! (16)
! endif
!Helium
RLicfHe = 1.0
if (SabundCEL - SiiCELabund .gt. 1.e-20) then
RLicfHe = 1+(SiiCELabund/(SabundCEL-SiiCELabund))
Hetotabund = RLicfHe * Heiabund ! (21) - note that this icf is not meaningful if only S+ is seen
endif
elseif (switch_icf .eq. "D" .or. switch_icf .eq. "E") then
!Delgado-Inglada 2014
!starting definitions
!Equation 4:
if (heiabund+heiiabund .gt. 0.D0) then
upsilon = heiiabund/(heiabund+heiiabund)
else
upsilon=0.d0
endif
!Equation 5:
if (oiiCELabund + oiiiCELabund .gt. 0.D0) then
OICFfactor = oiiiCELabund/(oiiCELabund + oiiiCELabund)
else
oICFfactor = 0.d0
endif
!helium - no ICF for neutral so it's already been calculated earlier in this
!routine
!oxygen
!equation 12:
if (oiiCELabund .gt. 0.D0 .and. oiiiCELabund .gt. 0.D0) then
celICFO = 10.**((0.08*upsilon + 0.006*upsilon**2)/(0.34-0.27*upsilon)) !should check if upsilon is greater than 0.95 before using
oabundCEL = celICFO * (oiiCELabund + oiiiCELabund)
else
celICFO = 1.0
oabundCEL = 0.D0
endif
!nitrogen
!use the classical icf if DI14mod selected
if (switch_icf=="E") then
NabundCEL = 0.d0
if (niiCELabund .ge. 1e-20 .and. niiiUVCELabund .ge. 1e-20 .and. nivCELabund .ge. 1e-20) then !all ionisation stages seen
CELicfN = 1.
NabundCEL = niiCELabund + niiiCELabund + nivCELabund
elseif (niiCELabund .ge. 1e-20 .and. niiiUVCELabund .lt. 1e-20 .and. nivCELabund .ge. 1e-20) then !no N2+ seen
CELicfN = 1.5
NabundCEL = 1.5*(niiCELabund + nivCELabund)
elseif (niiCELabund .ge. 1e-20 .and. niiiUVCELabund .lt. 1e-20 .and. nivCELabund .lt. 1e-20) then !Only N+ seen
CELicfN = OabundCEL/oiiCELabund
NabundCEL = niiCELabund * CELicfN
endif
else
!use DI14 as published: equation 14:
if (niiCELabund .gt. 0.D0 .and. oiiCELabund .gt. 0.D0 .and. upsilon .gt. 0.D0) then
CELicfN = 10.**(-0.16*oICFfactor*(1+log10(upsilon)))
nabundCEL = CELicfN * niiCELabund * OabundCEL / oiiCELabund
elseif (niiCELabund .gt. 0.D0 .and. oiiCELabund .gt. 0.D0 .and. upsilon .eq. 0.D0) then
CELicfN = 10**(0.64*Oicffactor)
nabundCEL = CELicfN * niiCELabund * OabundCEL / oiiCELabund
else
CELicfN = 1.0
nabundCEL = 0.D0
endif
endif
!neon
if (neiiiCELabund .gt. 0.D0 .and. oiiiCELabund .gt. 0.D0 .and. nevCELabund .eq. 0.D0) then
if (heiiabund .eq. 0.D0) then
upsilonprime = 0.01
elseif (heiiabund .gt. 0.D0 .and. upsilon .lt. 0.015) then
upsilonprime = 0.015
else
upsilonprime = upsilon
endif
!equation 17:
CELicfNe = oICFfactor + ((0.014/upsilonprime + 2*upsilonprime**2.7)**3 * (0.7 + 0.2*oICFfactor-0.8*oICFfactor**2))
NeabundCEL = CELicfne * OabundCEL * (neiiiCELabund / oiiiCELabund)
!equation 20:
elseif (neiiiCELabund .gt. 0.D0 .and. nevCELabund .gt. 0.D0) then
CELicfNe = (1.31+12.68*upsilon**2.57)**0.27
NeabundCEL = CELicfNe * (neiiiCELabund + nevCELabund)
else
NeabundCEL = 0.D0
CELicfNe = 1.0
endif
!sulphur
CELicfS = 1.0
SabundCEL = 0.D0
if (oiiCELabund .gt. 0.d0) then
if (siiiCELabund .eq. 0.D0 .and. siiCELabund .gt. 0.D0) then !equation 23:
CELicfS = 10.**(0.31-0.51*upsilon)
SabundCEL = CELicfS * OabundCEL * (siiCELabund/oiiCELabund)
elseif (siiiCELabund .gt. 0.D0 .and. siiCELabund .gt. 0.D0) then !equation 26:
CELicfS = 10.**((-0.02 - 0.03*OICFfactor - 2.31*OICFfactor**2 + 2.19*OICFfactor**3) / (0.69 + 2.09*OICFfactor - 2.69*OICFfactor**2))
SabundCEL = CELicfS * OabundCEL * (siiCELabund+siiiCELabund)/oiiCELabund
endif
endif
!chlorine
if (cliiCELabund .gt. 0.D0 .and. cliiiCELabund .gt. 0.D0 .and. clivCELabund .gt. 0.D0) then !equation 32:
CELicfCl = 0.98+(0.56-0.57*upsilon)**7.64
ClabundCEL = CELicfCl * (cliiCELabund + cliiiCELabund + clivCELabund)
elseif (OICFfactor .le. 0.02 .and. cliiCELabund .gt. 0.D0 .and. cliiiCELabund .gt. 0.D0) then
CELicfCl = 1.0
ClabundCEL = cliiCELabund + cliiiCELabund
elseif (OICFfactor .gt. 0.02 .and. OICFfactor .lt. 0.95 .and. cliiiCELabund .gt. 0.D0 .and. oiiCELabund .gt. 0.D0) then !equation 29:
CELicfCL = (4.1620 - (4.1622*OICFfactor**0.21))**0.75
ClabundCEL = CELicfCL * (cliiiCELabund / oiiCELabund) * OabundCEL
else
CELicfCl = 1.0
CLabundCEL = 0.D0
endif
!argon
if ((oiiCELabund+oiiiCELabund) .gt. 0.D0 .and. ariiiCELabund .gt. 0.D0 .and. OICFfactor .le. 0.5) then !equation 35
CELicfAr = 10.**(0.05/(0.06+OICFfactor) - 0.07)
ArabundCEL = CELicfAr * OabundCEL * ariiiCELabund/(oiiCELabund+oiiiCELabund)
elseif ((oiiCELabund+oiiiCELabund) .gt. 0.D0 .and. ariiiCELabund .gt. 0.D0 .and. OICFfactor .gt. 0.5) then !equation 36
CELicfAr = 10.**((0.03*OICFfactor)/(0.4-0.3*OICFfactor) - 0.05)
ArabundCEL = CELicfAr * OabundCEL * ariiiCELabund/(oiiCELabund+oiiiCELabund)
else
CELicfAr = 1.0
ArabundCEL = 0.D0
endif
!carbon
!none given for CELs, D-I 2014 is for optical lines only
celICFC = 1.0
cabundCEL = 0.D0
endif
!ORLs - not from KB94 but based on Liu et al. 2000
!redefine He ICF factor, we use the same variable name for different things in DI14 and KB94
!todo: fix this ugly workaround
if (heiabund .gt. 0.) then
heICFfactor = (heiabund + heiiabund)/heiabund
elseif (heiabund .eq.0. .and. heiiabund .eq.0.0) then
heICFfactor = 0.d0
endif
!Oxygen
if (oiiRLabund .ge. 1e-20 .and. oiiiCELabund .gt. 0.d0) then
RLicfO = heICFfactor**(2./3.) * (1+(oiiCELabund/oiiiCELabund))
OabundRL = RLicfO * oiiRLabund
else
RLicfO = 1.0
OabundRL = 0
endif
!Nitrogen
!from CELs we have N+ and N+/N, from RLs we have N2+ + N3+
!so assuming no N4+, RLicf(N) = CELicf(N)/(CELicf(N)-1)
!if CELicfN = 1.0, then there should be no N2+ or N3+
if (CELicfN .gt. 1.0) then
RLicfN = NabundCEL/(NabundCEL-niiCELabund)
else
RLicfN = 1.0
endif
NabundRL = RLicfN*(niiRLabund + niiiRLabund)
!Carbon
if (switch_icf .eq. "D" .and. oiiRLabund .gt. 0.d0 .and. ciiRLabund .gt. 0.d0) then !equation 39
RLicfC = 0.05 + 2.21*OICFfactor - 2.77*OICFfactor**2 + 1.74*OICFfactor**3
CabundRL = RLicfC * ciiRLabund * OabundRL / oiiRLabund
else
RLicfC = 1.0
CabundRL = ciiRLabund + ciiiRLabund
endif
!Neon
if (oiiRLabund .ge. 1e-20) then
RLicfNe = OabundRL / oiiRLabund
NeabundRL = RLicfNe * neiiRLabund
else
RLicfNe = 1.0
NeabundRL = 0.d0
endif
!rewrite all the ICFs so that they are simply the factor by which the summed ionic abundances are multipled to get the total elemental abundance
if (ciiCELabund + ciiiCELabund + civCELabund .gt. 0.d0) CELicfC = CabundCEL/(ciiCELabund + ciiiCELabund + civCELabund)
if (niiCELabund + niiiCELabund + nivCELabund + nvCELabund .gt. 0.d0) CELicfN = NabundCEL/(niiCELabund + niiiCELabund + nivCELabund + nvCELabund)
if (oiiCELabund + oiiiCELabund + oiiiIRCELabund + oivCELabund .gt. 0.d0) CELicfO = OabundCEL/(oiiCELabund + oiiiCELabund + oiiiIRCELabund + oivCELabund)
if (neiiiCELabund + neivCELabund + nevCELabund .gt. 0.d0) CELicfNe = NeabundCEL/(neiiiCELabund + neivCELabund + nevCELabund)
if (siiCELabund + siiiCELabund + siiiIRCELabund + sivIRCELabund .gt. 0.d0) CELicfS = SabundCEL/(siiCELabund + siiiCELabund + siiiIRCELabund + sivIRCELabund)
if (cliiCELabund + cliiiCELabund + clivCELabund .gt. 0.d0) CELicfCl = ClabundCEL/(cliiCELabund + cliiiCELabund + clivCELabund)
if (ariiiCELabund + arivCELabund + arvCELabund .gt. 0.d0) CELicfAr = ArabundCEL/(ariiiCELabund + arivCELabund + arvCELabund)
!recombination lines
if (ciiRLabund + ciiiRLabund .gt. 0.d0) RLicfC = CabundRL / (ciiRLabund + ciiiRLabund)
if (niiRLabund + niiiRLabund .gt. 0.d0) RLicfN = NabundRL / (niiRLabund + niiiRLabund)
if (oiiRLabund .gt. 0.d0) RLicfO = OabundRL / oiiRLabund
if (neiiRLabund .gt. 0.d0) RLicfNe = NeabundRL / neiiRLabund
!if any were less than one, sum up the ionic species. todo: warn the user that this happened
if (CELicfC .lt. 1.) then
CELicfC = 1.0
CabundCEL = (ciiCELabund + ciiiCELabund + civCELabund)
endif
if (CELicfN .lt. 1.) then
CELicfN = 1.0
NabundCEL = (niiCELabund + niiiCELabund + nivCELabund + nvCELabund)
endif
if (CELicfO .lt. 1.) then
CELicfO = 1.0
OabundCEL = (oiiCELabund + oiiiCELabund + oiiiIRCELabund + oivCELabund)
endif
if (CELicfNe .lt. 1.) then
CELicfNe = 1.0
NeabundCEL = (neiiiCELabund + neivCELabund + nevCELabund)
endif
if (CELicfS .lt. 1.) then
CELicfS = 1.0
SabundCEL = (siiCELabund + siiiCELabund + siiiIRCELabund + sivIRCELabund)
endif
if (CELicfCl .lt. 1.) then
CELicfCl = 1.0
ClabundCEL = (cliiCELabund + cliiiCELabund + clivCELabund)
endif
if (CELicfAr .lt. 1.) then
CELicfAr = 1.0
ArabundCEL = (ariiiCELabund + arivCELabund + arvCELabund)
endif
!recombination lines
if (RLicfC .lt. 1.) then
RLicfC = 1.0
CabundRL = (ciiRLabund + ciiiRLabund)
endif
if (RLicfN .lt. 1.) then
RLicfN = 1.0
NabundRL = (niiRLabund + niiiRLabund)
endif
if (RLicfO .lt. 1.) then
RLicfO = 1.0
OabundRL = oiiRLabund
endif
if (RLicfNe .lt. 1.) then
RLicfNe = 1.0
NeabundRL = neiiRLabund
endif
!carbon
iteration_result(1)%NC_abund_CEL = NCabundCEL
iteration_result(1)%cii_abund_CEL = ciiCELabund
iteration_result(1)%ciii_abund_CEL = ciiiCELabund
iteration_result(1)%civ_abund_CEL = civCELabund
iteration_result(1)%c_icf_CEL = CELicfC
iteration_result(1)%C_abund_CEL = CabundCEL
!nitrogen
iteration_result(1)%Nii_abund_CEL = niiCELabund
iteration_result(1)%Niii_abund_CEL = niiiCELabund
iteration_result(1)%Niv_abund_CEL = nivCELabund
iteration_result(1)%Nv_abund_CEL = nvCELabund
iteration_result(1)%N_icf_CEL = CELicfN
iteration_result(1)%N_abund_CEL = NabundCEL
!oxygen
iteration_result(1)%NO_abund_CEL = NOabundCEL
iteration_result(1)%Oii_abund_CEL = oiiCELabund
iteration_result(1)%Oiii_abund_CEL = oiiiCELabund
iteration_result(1)%Oiv_abund_CEL = oivCELabund
iteration_result(1)%O_icf_CEL = CELicfO
iteration_result(1)%O_abund_CEL = OabundCEL
!neon
iteration_result(1)%Neii_abund_CEL = neiiIRCELabund
iteration_result(1)%Neiii_abund_CEL = neiiiCELabund
iteration_result(1)%Neiv_abund_CEL = neivCELabund
iteration_result(1)%Nev_abund_CEL = nevCELabund
iteration_result(1)%Ne_icf_CEL = CELicfNe
iteration_result(1)%Ne_abund_CEL = NeabundCEL
!argon
iteration_result(1)%Ariii_abund_CEL = ariiiCELabund
iteration_result(1)%Ariv_abund_CEL = arivCELabund
iteration_result(1)%Arv_abund_CEL = arvCELabund
iteration_result(1)%Ar_icf_CEL = CELicfAr
iteration_result(1)%Ar_abund_CEL = ArabundCEL
!sulphur
iteration_result(1)%Sii_abund_CEL = siiCELabund
iteration_result(1)%Siii_abund_CEL = siiiCELabund
iteration_result(1)%S_icf_CEL = CELicfS
iteration_result(1)%S_abund_CEL = SabundCEL
!chlorine
iteration_result(1)%Clii_abund_CEL = cliiCELabund
iteration_result(1)%Cliii_abund_CEL = cliiiCELabund
iteration_result(1)%Cliv_abund_CEL = clivCELabund
iteration_result(1)%Cl_icf_CEL = CELicfCl
iteration_result(1)%Cl_abund_CEL = ClabundCEL
!ORLs
iteration_result(1)%Hei_abund_ORL = Heiabund
iteration_result(1)%Heii_abund_ORL = Heiiabund
iteration_result(1)%He_abund_ORL = Hetotabund
iteration_result(1)%Cii_abund_ORL = ciiRLabund
iteration_result(1)%Ciii_abund_ORL = ciiiRLabund
iteration_result(1)%C_icf_ORL = RLicfC
iteration_result(1)%C_abund_ORL = CabundRL
iteration_result(1)%Nii_abund_ORL = niiRLabund
iteration_result(1)%Niii_abund_ORL = niiiRLabund
iteration_result(1)%N_icf_ORL = RLicfN
iteration_result(1)%N_abund_ORL = NabundRL
iteration_result(1)%Oii_abund_ORL = oiiRLabund
iteration_result(1)%O_icf_ORL = RLicfO
iteration_result(1)%O_abund_ORL = OabundRL
iteration_result(1)%Neii_abund_ORL = NeiiRLabund
iteration_result(1)%Ne_icf_ORL = RLicfNe
iteration_result(1)%Ne_abund_ORL = NeabundRL
!recombination contributions
iteration_result(1)%nii5754recCEL = nii5754recCEL
iteration_result(1)%oii7325recCEL = oii7325recCEL
iteration_result(1)%oiii4363recCEL = oiii4363recCEL
iteration_result(1)%nii5754recRL = nii5754recRL
iteration_result(1)%oii7325recRL = oii7325recRL
iteration_result(1)%oiii4363recRL = oiii4363recRL
!multiplet abundances
iteration_result(1)%oii_v1_abund_orl = oiimultiplets(1)%abundance
iteration_result(1)%oii_v2_abund_orl = oiimultiplets(2)%abundance
iteration_result(1)%oii_v5_abund_orl = oiimultiplets(3)%abundance
iteration_result(1)%oii_v10_abund_orl = oiimultiplets(4)%abundance
iteration_result(1)%oii_v11_abund_orl = oiimultiplets(5)%abundance
iteration_result(1)%oii_v12_abund_orl = oiimultiplets(6)%abundance
iteration_result(1)%oii_v19_abund_orl = oiimultiplets(7)%abundance
iteration_result(1)%oii_v20_abund_orl = oiimultiplets(8)%abundance
iteration_result(1)%oii_v25_abund_orl = oiimultiplets(9)%abundance
iteration_result(1)%oii_v28_abund_orl = oiimultiplets(10)%abundance
iteration_result(1)%oii_v33_abund_orl = oiimultiplets(11)%abundance
iteration_result(1)%oii_3d4f_abund_orl = oiimultiplets(12)%abundance
iteration_result(1)%nii_v3_abund_orl = niimultiplets(1)%abundance
iteration_result(1)%nii_v5_abund_orl = niimultiplets(2)%abundance
iteration_result(1)%nii_v8_abund_orl = niimultiplets(3)%abundance
iteration_result(1)%nii_v12_abund_orl = niimultiplets(4)%abundance
iteration_result(1)%nii_v20_abund_orl = niimultiplets(5)%abundance
iteration_result(1)%nii_v28_abund_orl = niimultiplets(6)%abundance
iteration_result(1)%nii_3d4f_abund_orl = niimultiplets(7)%abundance
iteration_result(1)%oiiRLreliable = oiiRLreliable
iteration_result(1)%niiRLreliable = niiRLreliable
!Strong line methods
!O R23 Pilyugin 2000
x23temp1 = get_cel_flux("oii3726 ",linelist,ILs)
x23temp2 = get_cel_flux("oii3729 ",linelist,ILs)
x23temp3 = get_cel_flux("oiii4959 ",linelist,ILs)
x23temp4 = get_cel_flux("oiii5007 ",linelist,ILs)
if (get_cel_flux("oii3728b ",linelist,ILs) .gt. 0 .and. x23temp3 .gt. 0 .and. x23temp4 .gt. 0) then ! OII blended
X23 = log10(get_cel_flux("oii3728b ",linelist,ILs)/(x23temp3 + x23temp4))
elseif (x23temp1 .gt. 0 .and. x23temp2 .gt. 0 .and. x23temp3 .gt. 0 .and. x23temp4 .gt. 0) then
X23 = log10((x23temp1+x23temp2)/(x23temp3+x23temp4))
else
X23 = 0.d0
endif
if (X23 .gt. 0) then
O_R23upper = 9.50 - (1.4 * X23)
O_R23lower = 6.53 + (1.45 * X23)
iteration_result(1)%O_R23_upper = O_R23upper
iteration_result(1)%O_R23_lower = O_R23lower
endif
!O N2 Pettini + Pagel 2004
flux_no1 = get_cel_flux("nii6584 ",linelist,ILs)
if (flux_no1 .gt. 0 .and. H_Balmer(3) .gt. 0) then
N2 = flux_no1 / linelist(H_Balmer(3))%int_dered
O_N2 = 8.90 + (0.57 * N2)
iteration_result(1)%O_N2 = O_N2
endif
!O O3N2 Pettini + Pagel 2004
flux_no2 = get_cel_flux("oiii5007 ",linelist,ILs)
if (flux_no1 .gt. 0 .and. flux_no2 .gt. 0 .and. H_Balmer(3) .gt. 0) then
O3N2 = log10((flux_no2*linelist(H_Balmer(3))%int_dered)/(flux_no1 * linelist(H_Balmer(3))%int_dered))
O_O3N2 = 8.73 - (0.32*O3N2)
iteration_result(1)%O_O3N2 = O_O3N2
endif
!O Ar3O3 Stasinska 2006
flux_no1 = get_cel_flux("ariii7135 ",linelist,ILs)
flux_no2 = get_cel_flux("oiii5007 ",linelist,ILs)
if (flux_no1 .gt. 0 .and. flux_no2 .gt. 0) then
Ar3O3 = flux_no1 / flux_no2
O_Ar3O3 = 8.91 + (0.34*Ar3O3) + (0.27*Ar3O3**2) + (0.2*Ar3O3**3)
iteration_result(1)%O_Ar3O3 = O_Ar3O3
endif
!O S3O3 Stasinska 2006
flux_no1 = get_cel_flux("siii9069 ",linelist,ILs)
if (flux_no1 .gt. 0 .and. flux_no2 .gt. 0) then
S3O3 = flux_no1 / flux_no2
O_S3O3 = 9.37 + (2.03*S3O3) + (1.26*S3O3**2) + (0.32*S3O3**3)
iteration_result(1)%O_S3O3 = O_S3O3
endif
!abundance discrepancy factors
if (oiiiCELabund .gt. 0 .and. oiiRLreliable) then
adfO2plus = oiiRLabund/oiiiCELabund
else
adfO2plus = 0.d0
endif
if (oabundCEL .gt. 0 .and. oiiRLreliable) then
adfO = OabundRL/OabundCEL
else
adfO = 0.d0
endif
if (ciiiCELabund .gt. 0) then
adfC2plus = ciiRLabund/ciiiCELabund
else
adfC2plus = 0.d0
endif
if (CabundCEL .gt. 0) then
adfC = CabundRL/CabundCEL
else
adfC = 0.d0
endif
if (NiiiCELabund .gt. 0 .and. niiRLreliable) then
adfN2plus = NiiRLabund/NiiiCELabund
else
adfN2plus = 0.d0
endif
if (NabundCEL .gt. 0 .and. niiRLreliable) then
adfN = NabundRL/NabundCEL
else
adfN = 0.d0
endif
if (NeiiiCELabund .gt. 0) then
adfNe2plus = NeiiRLabund/NeiiiCELabund
else
adfNe2plus = 0.d0
endif
if (NeabundCEL .gt. 0) then
adfNe = NeabundRL/NeabundCEL
else
adfNe = 0.d0
endif
iteration_result(1)%adf_o2plus = adfo2plus
iteration_result(1)%adf_O = adfO
iteration_result(1)%adf_n2plus = adfn2plus
iteration_result(1)%adf_n = adfn
iteration_result(1)%adf_c2plus = adfc2plus
iteration_result(1)%adf_c = adfc
iteration_result(1)%adf_ne2plus = adfne2plus
iteration_result(1)%adf_ne = adfne
!copy blend fluxes back into their original location
where (linelist%blend_intensity .gt. 0.d0)
linelist%intensity=linelist%blend_intensity
linelist%int_dered=linelist%blend_int_dered
linelist%int_err=linelist%blend_int_err
endwhere
! determine abundances using Ha instead of Hb if requested
if (relativetoha) then
hafactor(1) = 10**(gamm6563(lowtemp,lowdens)-gamm4861(lowtemp,lowdens)) * (linelist(H_Balmer(4))%int_dered/linelist(H_Balmer(3))%int_dered) * (6562.77/4861.33)
hafactor(2) = 10**(gamm6563(medtemp,meddens)-gamm4861(medtemp,meddens)) * (linelist(H_Balmer(4))%int_dered/linelist(H_Balmer(3))%int_dered) * (6562.77/4861.33)
hafactor(3) = 10**(gamm6563(hightemp,highdens)-gamm4861(hightemp,highdens)) * (linelist(H_Balmer(4))%int_dered/linelist(H_Balmer(3))%int_dered) * (6562.77/4861.33)
print "(15X,A)","abundances are calculated using ratios to Halpha instead of Hbeta"
print "(15X,A,3(F5.3,X))","difference in low, medium, high ionisation zones is a factor of ",hafactor
iteration_result(1)%NC_abund_CEL = iteration_result(1)%NC_abund_CEL * hafactor(1)
iteration_result(1)%cii_abund_CEL = iteration_result(1)%cii_abund_CEL * hafactor(1)
iteration_result(1)%ciii_abund_CEL = iteration_result(1)%ciii_abund_CEL * hafactor(2)
iteration_result(1)%civ_abund_CEL = iteration_result(1)%civ_abund_CEL * hafactor(3)
iteration_result(1)%Nii_abund_CEL = iteration_result(1)%Nii_abund_CEL * hafactor(1)
iteration_result(1)%Niii_abund_CEL = iteration_result(1)%Niii_abund_CEL * hafactor(2)
iteration_result(1)%Niv_abund_CEL = iteration_result(1)%Niv_abund_CEL * hafactor(3)
iteration_result(1)%Nv_abund_CEL = iteration_result(1)%Nv_abund_CEL * hafactor(3)
iteration_result(1)%NO_abund_CEL = iteration_result(1)%NO_abund_CEL * hafactor(1)
iteration_result(1)%Oii_abund_CEL = iteration_result(1)%Oii_abund_CEL * hafactor(1)
iteration_result(1)%Oiii_abund_CEL = iteration_result(1)%Oiii_abund_CEL * hafactor(2)
iteration_result(1)%Oiv_abund_CEL = iteration_result(1)%Oiv_abund_CEL * hafactor(3)
iteration_result(1)%Neii_abund_CEL = iteration_result(1)%Neii_abund_CEL * hafactor(1)
iteration_result(1)%Neiii_abund_CEL = iteration_result(1)%Neiii_abund_CEL * hafactor(2)
iteration_result(1)%Neiv_abund_CEL = iteration_result(1)%Neiv_abund_CEL * hafactor(3)
iteration_result(1)%Nev_abund_CEL = iteration_result(1)%Nev_abund_CEL * hafactor(3)
iteration_result(1)%Ariii_abund_CEL = iteration_result(1)%Ariii_abund_CEL * hafactor(2)
iteration_result(1)%Ariv_abund_CEL = iteration_result(1)%Ariv_abund_CEL * hafactor(2)
iteration_result(1)%Arv_abund_CEL = iteration_result(1)%Arv_abund_CEL * hafactor(3)
iteration_result(1)%Sii_abund_CEL = iteration_result(1)%Sii_abund_CEL * hafactor(1)
iteration_result(1)%Siii_abund_CEL = iteration_result(1)%Siii_abund_CEL * hafactor(2)
iteration_result(1)%Clii_abund_CEL = iteration_result(1)%Clii_abund_CEL * hafactor(1)
iteration_result(1)%Cliii_abund_CEL = iteration_result(1)%Cliii_abund_CEL * hafactor(2)
iteration_result(1)%Cliv_abund_CEL = iteration_result(1)%Cliv_abund_CEL * hafactor(3)
iteration_result(1)%Hei_abund_ORL = iteration_result(1)%Hei_abund_ORL * hafactor(2)
iteration_result(1)%Heii_abund_ORL = iteration_result(1)%Heii_abund_ORL * hafactor(2)
iteration_result(1)%Cii_abund_ORL = iteration_result(1)%Cii_abund_ORL * hafactor(2)
iteration_result(1)%Ciii_abund_ORL = iteration_result(1)%Ciii_abund_ORL * hafactor(2)
iteration_result(1)%Nii_abund_ORL = iteration_result(1)%Nii_abund_ORL * hafactor(2)
iteration_result(1)%Niii_abund_ORL = iteration_result(1)%Niii_abund_ORL * hafactor(2)
iteration_result(1)%Oii_abund_ORL = iteration_result(1)%Oii_abund_ORL * hafactor(2)
iteration_result(1)%Neii_abund_ORL = iteration_result(1)%Neii_abund_ORL * hafactor(2)
iteration_result(1)%oii_v1_abund_orl = iteration_result(1)%oii_v1_abund_orl * hafactor(2)
iteration_result(1)%oii_v2_abund_orl = iteration_result(1)%oii_v2_abund_orl * hafactor(2)
iteration_result(1)%oii_v5_abund_orl = iteration_result(1)%oii_v5_abund_orl * hafactor(2)
iteration_result(1)%oii_v10_abund_orl = iteration_result(1)%oii_v10_abund_orl * hafactor(2)
iteration_result(1)%oii_v11_abund_orl = iteration_result(1)%oii_v11_abund_orl * hafactor(2)
iteration_result(1)%oii_v12_abund_orl = iteration_result(1)%oii_v12_abund_orl * hafactor(2)
iteration_result(1)%oii_v19_abund_orl = iteration_result(1)%oii_v19_abund_orl * hafactor(2)
iteration_result(1)%oii_v20_abund_orl = iteration_result(1)%oii_v20_abund_orl * hafactor(2)
iteration_result(1)%oii_v25_abund_orl = iteration_result(1)%oii_v25_abund_orl * hafactor(2)
iteration_result(1)%oii_v28_abund_orl = iteration_result(1)%oii_v28_abund_orl * hafactor(2)
iteration_result(1)%oii_v33_abund_orl = iteration_result(1)%oii_v33_abund_orl * hafactor(2)
iteration_result(1)%oii_3d4f_abund_orl = iteration_result(1)%oii_3d4f_abund_orl * hafactor(2)
iteration_result(1)%nii_v3_abund_orl = iteration_result(1)%nii_v3_abund_orl * hafactor(2)
iteration_result(1)%nii_v5_abund_orl = iteration_result(1)%nii_v5_abund_orl * hafactor(2)
iteration_result(1)%nii_v8_abund_orl = iteration_result(1)%nii_v8_abund_orl * hafactor(2)
iteration_result(1)%nii_v12_abund_orl = iteration_result(1)%nii_v12_abund_orl * hafactor(2)
iteration_result(1)%nii_v20_abund_orl = iteration_result(1)%nii_v20_abund_orl * hafactor(2)
iteration_result(1)%nii_v28_abund_orl = iteration_result(1)%nii_v28_abund_orl * hafactor(2)
iteration_result(1)%nii_3d4f_abund_orl = iteration_result(1)%nii_3d4f_abund_orl * hafactor(2)
endif
! restore weights to original values
weights=weights_orig
contains
subroutine get_diag(name1, name2, diag)
implicit none
character(len=11) :: name1, name2
real(kind=dp) :: flux_no1, flux_no2
real(kind=dp) :: diag
!debugging
#ifdef CO
print *,"subroutine: get_diag. lines=",name1,name2
#endif
flux_no1 = get_cel_flux(name1, linelist, ILs)
flux_no2 = get_cel_flux(name2, linelist, ILs)
if (flux_no1 .gt. 0 .and. flux_no2 .gt. 0) then
diag = flux_no1 / flux_no2
else
diag = 0.d0
endif
end subroutine get_diag
subroutine get_Tdiag(name1, name2, name3, ion, ratio)
!this routine gets the ratio for nebular to auroral diagnostics. In case one of nebular pair is not observed, it assumes the intensity of the other is given by the theoretical ratio
implicit none
character(len=11) :: name1, name2, name3
character(len=20) :: ion
integer :: ion_no1, ion_no2, ion_no3
real(kind=dp) :: flux1, flux2, flux3
real(kind=dp) :: factor1, factor2, ratio, ratio2
integer :: level1, level2, level3 !level2 is the upper level, level1 the lower of the two lower levels
!debugging
#ifdef CO
print *,"subroutine: get_Tdiag. lines=",name1, name2, name3
#endif
ion_no1 = get_ion(name1, ILs)
ion_no2 = get_ion(name2, ILs)
ion_no3 = get_ion(name3, ILs)
flux1 = get_cel_flux(name1, linelist, ILs)
flux2 = get_cel_flux(name2, linelist, ILs)
flux3 = get_cel_flux(name3, linelist, ILs)
!get the levels of the transitions. upper level is common to both transitions
read (ILs(ion_no1)%transition(1:index(ILs(ion_no1)%transition,',')-1),"(i2)") level1
read (ILs(ion_no1)%transition(index(ILs(ion_no1)%transition,',')+1:index(ILs(ion_no1)%transition,'/')-1),"(i2)") level2
read (ILs(ion_no2)%transition(1:index(ILs(ion_no2)%transition,',')-1),"(i2)") level3
!now, in possibly the ugliest lines of code in all of NEAT, get the theoretical ratio, which is ratio of A values multiplied by ratio of wavelengths
factor1=1.+(atomicdata(get_atomicdata(ion,atomicdata))%A_coeffs(level2,level3)/atomicdata(get_atomicdata(ion,atomicdata))%A_coeffs(level2,level1) * (atomicdata(get_atomicdata(ion,atomicdata))%waveno(level2)-atomicdata(get_atomicdata(ion,atomicdata))%waveno(level3))/(atomicdata(get_atomicdata(ion,atomicdata))%waveno(level2)-atomicdata(get_atomicdata(ion,atomicdata))%waveno(level1)))
factor2=1.+(1./(factor1-1.))
!now calculate the diagnostic ratio
if(((flux1 .gt. 0) .and. (flux2 .gt. 0)) .and. (flux3 .gt. 0 ))then
ratio = (flux1 + flux2) / flux3
if(name1 .eq. "siii9069 ")then
ratio2 = (flux1 / flux2)
!print*, ratio2
if(ratio2 .gt. (factor2-1)*0.95 .and. ratio2 .lt. (factor2-1)*1.05)then
!PRINT*, ratio2, " ", factor2-1, " 1 ", name1
ratio = (flux1 + flux2) / flux3
else if(ratio2 .lt. (factor2-1)*0.95)then
!PRINT*, ratio2, " ", factor2-1, " 2 ", name1
ratio = (factor2 * flux2) / flux3
!PRINT*, (factor2 * flux2), " ", (flux1 + flux2)
else if(ratio2 .gt. (factor2-1)*1.05)then
!PRINT*, ratio2, " ", factor2-1, " 3 ", name1
ratio = (factor1 * flux1) / flux3
else
ratio = 0.d0
endif
endif
elseif(((flux1 .gt. 0) .and. (flux2 .eq. 0)) .and. (flux3 .gt. 0 ))then
ratio = (flux1 * factor1) / flux3
elseif(((flux1 .eq. 0) .and. (flux2 .gt. 0)) .and. (flux3 .gt. 0 ))then
ratio = (flux2 * factor2) / flux3
else
ratio = 0.d0
endif
end subroutine get_Tdiag
subroutine get_average_abundance(startion,endion,abundance)
!calculates the average abundance given by a set of CELs using the chosen weighting scheme
implicit none
character(len=11) :: startion,endion
real(kind=dp) :: abundance
real(kind=dp), dimension(9) :: weights, abundances ! Ilines_levs contains at most 9 lines per ion. this might need updating in the future
integer :: i,j
!debugging
#ifdef CO
print *,"subroutine: get_average_abundance. ",startion,endion
#endif
weights=0.d0
abundances=0.d0
abundance=0.d0
j=1
! weights have already been processed to correctly replace -1 with observed intensity, and set to zero if line is not present.
! so it's really easy.
do i=get_ion(startion,ILs),get_ion(endion,ILs)
if (ILs(i)%location .gt. 0) then
abundances(j)=linelist(ILs(i)%location)%abundance
weights(j)=linelist(ILs(i)%location)%weight
endif
j=j+1
enddo
if (sum(weights).gt.0.d0) then
abundance=sum(abundances*weights)/sum(weights)
endif
end subroutine get_average_abundance
subroutine fix_siii
!SIII 9069 and 9531 doublet is a special case due to absorption lines. See Liu et al 1995 (https://ui.adsabs.harvard.edu/abs/1995MNRAS.273...47L): one of 9069/9531 is ALWAYS absorbed but the other is then always fine. We can tell which is is by looking at the ratio 9069/9531.
implicit none
real(kind=dp) :: ratio!,factor
!debugging
#ifdef CO
print *,"subroutine: fix_siii."
#endif
if (get_cel_abundance("siii9069 ",linelist,ILs) .ne. 0 .and. get_cel_abundance("siii9531 ",linelist,ILs) .ne. 0) then
!observed ratio
ratio = get_cel_flux("siii9069 ",linelist,ILs) / get_cel_flux("siii9531 ",linelist,ILs)
!theoretical ratio is 0.403 using the default atomic data. todo: calculate it as is done in the get_Tdiag routine
if (ratio .gt. (1.1 * 0.403)) then ! 9531 is affected, use 9069 only
linelist(ILs(get_ion("siii9531 ",ILs))%location)%weight = 0.d0
elseif(ratio .lt. (0.9 * 0.403)) then ! 9069 is affected, use 9531 only
linelist(ILs(get_ion("siii9069 ",ILs))%location)%weight = 0.d0
endif
endif
end subroutine fix_siii
end subroutine abundances
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