Identify_Reactions_For_Deuteration.ipynb

{
 "cells": [
  {
   "cell_type": "markdown",
   "id": "279f5657-ea77-474a-a748-be1170a57b76",
   "metadata": {},
   "source": [
    "# Identify H-bearing reactions that should have deuterated analogues"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "ff3608e8-040f-4aa2-86c2-f57d2d804ac2",
   "metadata": {},
   "source": [
    "This notebook is used to find which reaction rates are most important for producing H-bearing species, for the purpose of producing a deuterated network."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 1,
   "id": "cb369257-568f-449a-9c7d-699fc472a896",
   "metadata": {},
   "outputs": [],
   "source": [
    "using Revise\n",
    "photochemistry_source_dir = \"$(@__DIR__)/Photochemistry/src/\"\n",
    "push!(LOAD_PATH, photochemistry_source_dir)\n",
    "using Photochemistry  # custom module\n",
    "using DataFrames"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "id": "ff44325d-909e-46d8-bad8-e17c5129d7aa",
   "metadata": {},
   "outputs": [],
   "source": [
    "include(\"CONSTANTS.jl\");\n",
    "include(\"CUSTOMIZATIONS.jl\");"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "id": "fd1335a6-2fd9-4d0e-aa07-1ada621134c8",
   "metadata": {},
   "outputs": [],
   "source": [
    "basic_case_folder = \"/home/emc/OneDrive-CU/Research/UpperAtmoDH/Results/DGearI+iNT_bXwiopqk_smean_v13/\"\n",
    "ncur = get_ncurrent(basic_case_folder*\"final_atmosphere.h5\");\n",
    "\n",
    "vardict = load_from_paramlog(basic_case_folder);\n",
    "\n",
    "reaction_network, hhn, hdn, hh2n, hhdn = load_reaction_network(vardict[\"rxn_spreadsheet\"]; get_hot_rxns=true, ions_on=true, all_species=vardict[\"all_species\"]);"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "43c32e30-f0f2-4661-aed8-b93e25fb3061",
   "metadata": {},
   "source": [
    "# Function to print dominant reactions"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "id": "a35a9b89-9715-4c89-9a2f-789d5b07ae37",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "get_column_rates_NEW (generic function with 1 method)"
      ]
     },
     "execution_count": 4,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "function get_column_rates_NEW(sp::Symbol, atmdict::Dict{Symbol, Vector{ftype_ncur}}; which=\"all\", role=\"both\", startalt_i=1, globvars...)\n",
    "    #=\n",
    "    Input:\n",
    "        sp: species for which to search for reactions\n",
    "        atmdict: the present atmospheric state to calculate on\n",
    "        Tn, Ti, Te: Arrays of the temperature profiles including boundary layers\n",
    "        bcdict: Boundary conditions dictionary specified in parameters file\n",
    "        which: whether to do photochemistry, or just bimolecular reactions. \"all\", \"Jrates\" or \"krates\"\n",
    "        sp2: optional second species to include, i.e. usually sp's ion.\n",
    "        role: \"product\" or \"reactant\" only.\n",
    "        startalt_i: Index of the altitude at which to start. This lets you only calculate column rate down to a certain altitude, which is\n",
    "                    useful, for example, for water, which is fixed at 80 km so we don't care what produces/consumes it.\n",
    "    Output:\n",
    "        sorted: Total column rates for all reactions of species sp. Sorted, in order of largest rate to smallest. NOT a dictionary.\n",
    "                sorted[1] is the top production mechanism, e.g.\n",
    "    =#\n",
    "    GV = values(globvars)\n",
    "    @assert all(x->x in keys(GV), [:Tn, :Ti, :Te, :all_species, :ion_species, :reaction_network, :num_layers, :dz])\n",
    "    \n",
    "    # println(\"Column rates will be collected for reaction type = $(which) and species role = $(role)\")\n",
    "    rxd, coefs = get_volume_rates(sp, atmdict; species_role=role, which=which, globvars...)\n",
    "\n",
    "    \n",
    "    # rxd comes out as a dictionary; convert it to a dataframe\n",
    "    df = DataFrame(rxd)\n",
    "    \n",
    "    # Now sum each reaction over altitudes and multiply by dz to get the column rate\n",
    "    dfsum = dfsum = mapcols(sum, df) .* GV.dz\n",
    "    # Now transpose and sort \n",
    "    df_transposed = DataFrame([[names(dfsum)]; collect.(eachrow(dfsum))], [:Rxn; :Value])\n",
    "    df_sorted = sort(df_transposed, [:Value], rev=true)\n",
    "    \n",
    "    return df_sorted\n",
    "end\n",
    "\n",
    "# thecoldf = get_column_rates_NEW(:H, ncur; which=\"all\", sp2=nothing, Tn=vardict[\"Tn_arr\"][2:end-1], Ti=vardict[\"Ti_arr\"][2:end-1], Te=vardict[\"Te_arr\"][2:end-1], \n",
    "#                                    all_species=vardict[\"all_species\"], ion_species=vardict[\"ion_species\"], reaction_network=reaction_network,\n",
    "#                                    num_layers, dz)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 38,
   "id": "6b3aa35f-78e1-4172-be80-31d2ec830cb9",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "rxns_comprising_p_pct_colrate (generic function with 1 method)"
      ]
     },
     "execution_count": 38,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "function get_p_pct_of_column(col_rate_df, p; sp=nothing, globvars...)\n",
    "    #=\n",
    "    This will calculate the column rate for the top p% of reactions, and\n",
    "    return the subset of col_rate_df for that number of reactions, starting from the highest column rate.\n",
    "    \n",
    "    col_rate_df: a dataframe containing various chemical reactions and their column rate.\n",
    "    p: we wish to get the top x reactions that contribute to p% of the total column rate.\n",
    "    =#\n",
    "    \n",
    "    GV = values(globvars)\n",
    "    @assert all(x->x in keys(GV), [:Tn, :Ti, :Te, :all_species, :ion_species, :reaction_network, :num_layers, :dz])\n",
    "    \n",
    "    if p > 1\n",
    "        throw(\"Please enter percent as a decimal, i.e. 1 = 100%, 0.01 = 1%.\")\n",
    "    end\n",
    "    \n",
    "    total_col_rate_all_rxns = sum(col_rate_df.\"Value\")\n",
    "    \n",
    "    # Figure out what percent of total column rate the top x% reactions are.\n",
    "    if nrow(col_rate_df) <= 25\n",
    "        if sp != nothing\n",
    "            x = nrow(col_rate_df) # set total num of reactions to all of them\n",
    "            println(\"$(sp) has a small number of reactions ($(x)). Recommended to create a deuterated analogue for all of them.\")\n",
    "            p = 1 # 100% of column rate is represented.\n",
    "        else\n",
    "            # if we didn't specify a species, we can still go ahead and calculate what x we require for p% to be represented.\n",
    "            x = Int(floor(nrow(col_rate_df) * p))\n",
    "            \n",
    "        end\n",
    "    else\n",
    "        x = Int(floor(nrow(col_rate_df) * p))\n",
    "    end\n",
    "\n",
    "    # Handle case where we might round down too hard\n",
    "    if x < 1\n",
    "        x = 1\n",
    "        println(\"Error: $(p*100)% of reactions is 0, resetting to print out only one reaction.\")\n",
    "        \n",
    "        p = x / nrow(col_rate_df)\n",
    "        println(\"Printing 1 reaction ($(round(p*100, digits=2))% of reactions).\")\n",
    "    else\n",
    "        println(\"$(p*100)% of reactions is $(x)/$(nrow(col_rate_df))\")\n",
    "    end\n",
    "    \n",
    "    col_rate_of_top_p_rxns = sum(col_rate_df.\"Value\"[1:x])\n",
    "    println(\"The column rate of top $(round(p*100, digits=2))% of reactions is $(col_rate_of_top_p_rxns)\")\n",
    "    println(\"Which equates to $(100*col_rate_of_top_p_rxns / total_col_rate_all_rxns)% of the total column rate ($(total_col_rate_all_rxns)).\")\n",
    "    println()\n",
    "    println(col_rate_df[1:x, :])\n",
    "    \n",
    "    return col_rate_df[1:x, :]\n",
    "end\n",
    "\n",
    "function rxns_comprising_p_pct_colrate(col_rate_df, p; sp=nothing, globvars...)\n",
    "    #=\n",
    "    This will return the subset of col_rate_df which comprises 99% of the column rate total for the whole df.\n",
    "    \n",
    "    col_rate_df: a dataframe containing various chemical reactions and their column rate.\n",
    "    p: we wish to get the top x reactions that contribute to p% of the total column rate.\n",
    "    =#\n",
    "    \n",
    "    GV = values(globvars)\n",
    "    @assert all(x->x in keys(GV), [:Tn, :Ti, :Te, :all_species, :ion_species, :reaction_network, :num_layers, :dz])\n",
    "    \n",
    "    if p > 1\n",
    "        throw(\"Please enter percent as a decimal, i.e. 1 = 100%, 0.01 = 1%.\")\n",
    "    end\n",
    "    \n",
    "    total_col_rate_all_rxns = sum(col_rate_df.\"Value\")\n",
    "    \n",
    "    p_times_total_columnrate = p * total_col_rate_all_rxns\n",
    "\n",
    "    this_pct = 1\n",
    "    i = nrow(col_rate_df)+1\n",
    "    while this_pct > p\n",
    "        i -= 1\n",
    "        this_pct = sum(col_rate_df[1:i, :].\"Value\") / total_col_rate_all_rxns\n",
    "        println(\"$(i) is $(100*this_pct)%\")\n",
    "        \n",
    "        if this_pct < 0.999\n",
    "            i += 1\n",
    "        elseif this_pct == 0.999\n",
    "            continue\n",
    "        end\n",
    "    end\n",
    "    \n",
    "    println(\"$(i) reactions needed to make up $(100*p)% of col rate\")\n",
    "\n",
    "    return col_rate_df[1:i, :]\n",
    "end"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "a6c8c9e7-0e4e-48a3-90a9-1b64d0c2116d",
   "metadata": {},
   "source": [
    "# H-bearing species list"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 111,
   "id": "ff483078-0f65-40b6-b164-87b36c32337c",
   "metadata": {},
   "outputs": [],
   "source": [
    "H_bearing_species = [s for s in vardict[\"all_species\"] if occursin('H', string(s))];"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "23373b23-e1fa-4e59-9ccd-a342138c77a6",
   "metadata": {},
   "source": [
    "# Get 100% of reactions for all H-bearing species, to get all H-bearing reactions"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 113,
   "id": "bd83f062-8eb2-4eeb-b67b-0dd246c4b1f8",
   "metadata": {
    "scrolled": true,
    "tags": []
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "For ArHpl: \n",
      "100% of reactions is 16/16\n",
      "The column rate of top 100.0% of reactions is 10012.687993655469\n",
      "Which equates to 100.0% of the total column rate (10012.687993655469).\n",
      "\n",
      "\u001b[1m16×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                         \u001b[0m\u001b[1m Value          \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                      \u001b[0m\u001b[90m Float64        \u001b[0m\n",
      "─────┼─────────────────────────────────────────────\n",
      "   1 │ H2pl + Ar --> ArHpl + H      4987.98\n",
      "   2 │ ArHpl + CO2 --> HCO2pl + Ar  3882.06\n",
      "   3 │ ArHpl + O --> OHpl + Ar       513.096\n",
      "   4 │ ArHpl + N2 --> N2Hpl + Ar     314.979\n",
      "   5 │ ArHpl + CO --> HCOpl + Ar     261.359\n",
      "   6 │ ArHpl + H2 --> H3pl + Ar       20.952\n",
      "   7 │ ArHpl + O2 --> HO2pl + Ar      13.225\n",
      "   8 │ H3pl + Ar --> ArHpl + H2        8.72566\n",
      "   9 │ HDpl + Ar --> ArHpl + D         8.03077\n",
      "  10 │ Arpl + H2 --> ArHpl + H         1.58559\n",
      "  11 │ ArHpl + C --> CHpl + Ar         0.327474\n",
      "  12 │ ArHpl + E --> Ar + H            0.305297\n",
      "  13 │ ArHpl + HD --> H2Dpl + Ar       0.0382802\n",
      "  14 │ ArDpl + H2 --> ArHpl + HD       0.0214036\n",
      "  15 │ Arpl + HD --> ArHpl + D         0.000934821\n",
      "  16 │ Arpl + H2O --> ArHpl + OH       3.61403e-5\n",
      "\n",
      "For CHpl: \n",
      "100% of reactions is 24/24\n",
      "The column rate of top 100.0% of reactions is 552427.5607978381\n",
      "Which equates to 100.0% of the total column rate (552427.5607978381).\n",
      "\n",
      "\u001b[1m24×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                       \u001b[0m\u001b[1m Value           \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                    \u001b[0m\u001b[90m Float64         \u001b[0m\n",
      "─────┼────────────────────────────────────────────\n",
      "   1 │ CHpl + CO2 --> HCOpl + CO      2.67614e5\n",
      "   2 │ HCOpl + C --> CHpl + CO        2.62679e5\n",
      "   3 │ HCO2pl + C --> CHpl + CO2  13221.6\n",
      "   4 │ CHpl + O --> COpl + H       6845.02\n",
      "   5 │ CHpl + O2 --> HCOpl + O      795.594\n",
      "   6 │ CHpl + E --> C + H           755.335\n",
      "   7 │ CHpl + H --> Cpl + H2        196.222\n",
      "   8 │ OHpl + C --> CHpl + O        186.522\n",
      "   9 │ N2Hpl + C --> CHpl + N2       64.4965\n",
      "  10 │ H2Opl + C --> CHpl + OH       34.7721\n",
      "  11 │ H2pl + C --> CHpl + H         25.9179\n",
      "  12 │ Cpl + H2 --> CHpl + H          4.35272\n",
      "  13 │ CHpl + CO --> HCOpl + C        2.51542\n",
      "  14 │ NHpl + C --> CHpl + N          1.62017\n",
      "  15 │ H3pl + C --> CHpl + H2         0.493831\n",
      "  16 │ ArHpl + C --> CHpl + Ar        0.327474\n",
      "  17 │ HNOpl + C --> CHpl + NO        0.264502\n",
      "  18 │ HO2pl + C --> CHpl + O2        0.124144\n",
      "  19 │ CHpl + H2O --> HCOpl + H2      0.0557309\n",
      "  20 │ CHpl + H2O --> H3Opl + C       0.030422\n",
      "  21 │ CHpl + OH --> COpl + H2        0.0291679\n",
      "  22 │ Cpl + HCO --> CHpl + CO        0.000827448\n",
      "  23 │ Cpl + H --> CHpl               0.000710565\n",
      "  24 │ Cpl + HD --> CHpl + D          2.973e-6\n",
      "\n",
      "For H: \n",
      "100% of reactions is 160/160\n",
      "The column rate of top 100.0% of reactions is 3.2004036837153823e12\n",
      "Which equates to 100.0% of the total column rate (3.2004036837153823e12).\n",
      "\n",
      "\u001b[1m160×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                        \u001b[0m\u001b[1m Value            \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                     \u001b[0m\u001b[90m Float64          \u001b[0m\n",
      "─────┼──────────────────────────────────────────────\n",
      "   1 │ H + O2 --> HO2                   1.4822e12\n",
      "   2 │ CO + OH --> CO2 + H              1.344e12\n",
      "   3 │ OH + O --> O2 + H                2.05675e11\n",
      "   4 │ O3 + H --> O2 + OH               8.61523e10\n",
      "   5 │ HO2 + H --> OH + OH              4.35459e10\n",
      "   6 │ H2O --> H + OH                   3.24901e10\n",
      "   7 │ HO2 + H --> O2 + H2              2.08658e9\n",
      "   8 │ OH + H2 --> H2O + H              1.61533e9\n",
      "   9 │ H2O2 --> HO2 + H                 1.07813e9\n",
      "  10 │ HO2 + H --> H2O + O1D            9.67687e8\n",
      "  11 │ HCOpl + E --> CO + H             1.42594e8\n",
      "  12 │ O1D + H2 --> OH + H              1.32058e8\n",
      "  13 │ CO2pl + H2 --> HCO2pl + H        1.27302e8\n",
      "  14 │ CO + H --> HCO                   2.61704e7\n",
      "  15 │ D + HO2 --> DO2 + H              2.61155e7\n",
      "  16 │ CO2pl + H --> HCOpl + O          2.19129e7\n",
      "  17 │ OH + D --> OD + H                2.00481e7\n",
      "  18 │ O + H --> OH                     1.91269e7\n",
      "  19 │ H2 + O --> OH + H                1.87528e7\n",
      "  20 │ H + DO2 --> OH + OD              1.57421e7\n",
      "  21 │ HDO --> H + OD                   8.49736e6\n",
      "  22 │ HCO2pl + E --> CO + O + H        5.32587e6\n",
      "  23 │ H + H + M --> H2 + M             4.65615e6\n",
      "  24 │ OH + H + CO2 --> H2O + CO2       3.69939e6\n",
      "  25 │ CO2pl + H --> Hpl + CO2          2.69285e6\n",
      "  26 │ Opl + H2 --> OHpl + H            1.75584e6\n",
      "  27 │ H + H2O2 --> H2O + OH            1.42154e6\n",
      "  28 │ H2O2 + H --> H2O + OH            1.42154e6\n",
      "  29 │ OH --> O + H                     1.39357e6\n",
      "  30 │ OH + HD --> HDO + H              7.62911e5\n",
      "  31 │ H + DO2 --> HD + O2         754308.0\n",
      "  32 │ OD + H2 --> HDO + H              4.26944e5\n",
      "  33 │ HCO2pl + E --> CO2 + H           3.91608e5\n",
      "  34 │ H + DO2 --> HDO + O1D       349824.0\n",
      "  35 │ HCO + O --> CO2 + H              3.41079e5\n",
      "  36 │ OD + H --> OH + D                3.14005e5\n",
      "  37 │ Opl + H --> Hpl + O              2.97234e5\n",
      "  38 │ N2pl + H2 --> N2Hpl + H          2.96692e5\n",
      "  39 │ OHpl + O --> O2pl + H            2.76386e5\n",
      "  40 │ H + DO2 --> HO2 + D         228670.0\n",
      "  41 │ H2pl + CO2 --> HCO2pl + H        1.9573e5\n",
      "  42 │ COpl + H2 --> HCOpl + H          1.94077e5\n",
      "  43 │ COpl + H2 --> HOCpl + H          1.94077e5\n",
      "  44 │ H2 --> H + H                     1.8797e5\n",
      "  45 │ OH + N --> NO + H                1.59357e5\n",
      "  46 │ H --> Hpl                        1.49971e5\n",
      "  47 │ HDO2 --> DO2 + H                 1.49586e5\n",
      "  48 │ H + H2O2 --> HO2 + H2            1.48487e5\n",
      "  49 │ H2O2 + H --> HO2 + H2            1.47959e5\n",
      "  50 │ O1D + HD --> H + OD          67540.7\n",
      "  51 │ COpl + H --> Hpl + CO        43545.9\n",
      "  52 │ H2pl + O --> OHpl + H        40705.8\n",
      "  53 │ H3Opl + E --> OH + H + H     37518.2\n",
      "  54 │ Hpl + O --> Opl + H          36879.9\n",
      "  55 │ H2 --> Hpl + H               31867.5\n",
      "  56 │ H2pl + N2 --> N2Hpl + H      20752.5\n",
      "  57 │ CO2pl + HD --> DCO2pl + H    19192.6\n",
      "  58 │ OHpl + H2 --> H2Opl + H      18653.6\n",
      "  59 │ H2pl + CO --> HCOpl + H      15991.5\n",
      "  60 │ H3Opl + E --> H2O + H        15611.6\n",
      "  61 │ HCO + H --> CO + H2          14080.3\n",
      "  62 │ H + HD --> H2 + D            10001.6\n",
      "  63 │ Npl + H2 --> NHpl + H         8746.9\n",
      "  64 │ H2Opl + E --> O + H + H       7021.99\n",
      "  65 │ CHpl + O --> COpl + H         6845.02\n",
      "  66 │ H2pl + Ar --> ArHpl + H       4987.98\n",
      "  67 │ Hpl + O2 --> O2pl + H         4762.93\n",
      "  68 │ N2Hpl + E --> N2 + H          4470.32\n",
      "  69 │ OHpl + E --> O + H            2843.25\n",
      "  70 │ OH + C --> CO + H             2821.32\n",
      "  71 │ H2pl + H2 --> H3pl + H        2723.02\n",
      "  72 │ Hpl + H --> H + Hpl           2641.17\n",
      "  73 │ H2Opl + H2 --> H3Opl + H      2378.58\n",
      "  74 │ H2Opl + E --> OH + H          1978.31\n",
      "  75 │ H + D + M --> HD + M          1860.98\n",
      "  76 │ D + H2 --> HD + H             1566.65\n",
      "  77 │ H + OD + CO2 --> HDO + CO2    1518.84\n",
      "  78 │ H2pl + O2 --> HO2pl + H       1273.19\n",
      "  79 │ HD + O --> OD + H             1004.58\n",
      "  80 │ HCOpl + OH --> HCO2pl + H      952.004\n",
      "  81 │ Opl + HD --> ODpl + H          886.639\n",
      "  82 │ H3Opl + E --> H2 + O + H       812.475\n",
      "  83 │ CHpl + E --> C + H             755.335\n",
      "  84 │ HCOpl + D --> DCOpl + H        415.847\n",
      "  85 │ H2pl + H --> Hpl + H2          401.013\n",
      "  86 │ OHpl + N --> NOpl + H          337.164\n",
      "  87 │ HD --> H + D                   271.271\n",
      "  88 │ CHpl + H --> Cpl + H2          196.222\n",
      "  89 │ H3pl + O --> H2Opl + H         183.62\n",
      "  90 │ N2pl + HD --> N2Dpl + H        172.373\n",
      "  91 │ HOCpl + E --> CO + H           166.437\n",
      "  92 │ HDpl + CO2 --> DCO2pl + H      145.314\n",
      "  93 │ H2pl + E --> H + H              92.4611\n",
      "  94 │ COpl + HD --> DCOpl + H         57.3194\n",
      "  95 │ COpl + HD --> DOCpl + H         57.3194\n",
      "  96 │ OH --> O1D + H                  52.9651\n",
      "  97 │ H2pl + N --> NHpl + H           50.1047\n",
      "  98 │ HD --> Dpl + H                  45.3492\n",
      "  99 │ HNOpl + E --> NO + H            42.9243\n",
      " 100 │ H2DOpl + E --> OD + H + H       39.719\n",
      " 101 │ H2DOpl + E --> OH + D + H       39.719\n",
      " 102 │ DCOpl + H --> HCOpl + D         34.1463\n",
      " 103 │ H2O --> OHpl + H                31.6029\n",
      " 104 │ Cpl + H2O --> HOCpl + H         30.8976\n",
      " 105 │ OH + H --> H2 + O               30.301\n",
      " 106 │ H + HDO2 --> H2O + OD           28.4459\n",
      " 107 │ H + HDO2 --> HDO + OH           28.4459\n",
      " 108 │ H2pl + C --> CHpl + H           25.9179\n",
      " 109 │ HDpl + O --> ODpl + H           25.759\n",
      " 110 │ Opl + OH --> O2pl + H           25.4526\n",
      " 111 │ HDOpl + E --> O + D + H         24.3932\n",
      " 112 │ NHpl + E --> N + H              20.4365\n",
      " 113 │ OHpl + HD --> HDOpl + H         20.0046\n",
      " 114 │ HO2pl + E --> O2 + H            19.6742\n",
      " 115 │ H2DOpl + E --> HDO + H          16.5274\n",
      " 116 │ Cpl + H2O --> HCOpl + H         15.0817\n",
      " 117 │ HDpl + N2 --> N2Dpl + H         14.2168\n",
      " 118 │ H2Opl + N --> HNOpl + H         11.8444\n",
      " 119 │ HDpl + CO --> DCOpl + H         10.9446\n",
      " 120 │ Hpl + NO --> NOpl + H            9.26618\n",
      " 121 │ DCO + H --> CO + HD              8.01274\n",
      " 122 │ HDpl + Ar --> ArDpl + H          6.57063\n",
      " 123 │ Cpl + OH --> COpl + H            4.92356\n",
      " 124 │ ODpl + H2 --> HDOpl + H          4.5858\n",
      " 125 │ H3pl + E --> H + H + H           4.41689\n",
      " 126 │ Cpl + H2 --> CHpl + H            4.35272\n",
      " 127 │ HDOpl + E --> OD + H             3.43616\n",
      " 128 │ NHpl + N --> N2pl + H            3.1762\n",
      " 129 │ H3pl + E --> H2 + H              2.3703\n",
      " 130 │ Arpl + H2 --> ArHpl + H          1.58559\n",
      " 131 │ HDOpl + H2 --> H2DOpl + H        1.22527\n",
      " 132 │ Dpl + H --> D + Hpl              1.19811\n",
      " 133 │ H2pl + NO --> HNOpl + H          1.04259\n",
      " 134 │ H2DOpl + E --> HD + O + H        0.860133\n",
      " 135 │ Hpl + H2O --> H2Opl + H          0.848848\n",
      " 136 │ O2 + H --> OH + O                0.825526\n",
      " 137 │ H2Opl + HD --> H2DOpl + H        0.662357\n",
      " 138 │ Hpl + OH --> OHpl + H            0.425851\n",
      " 139 │ ArHpl + E --> Ar + H             0.305297\n",
      " 140 │ N2Hpl + D --> N2Dpl + H          0.249515\n",
      " 141 │ Hpl + E --> H                    0.236417\n",
      " 142 │ N2Dpl + H --> N2Hpl + D          0.183649\n",
      " 143 │ HDpl + E --> H + D               0.170984\n",
      " 144 │ H2pl + H2O --> H3Opl + H         0.0913989\n",
      " 145 │ HDO --> ODpl + H                 0.0586517\n",
      " 146 │ H2pl + OH --> H2Opl + H          0.0485939\n",
      " 147 │ Cpl + HDO --> DOCpl + H          0.0142392\n",
      " 148 │ Cpl + HDO --> DCOpl + H          0.00700875\n",
      " 149 │ Arpl + HD --> ArDpl + H          0.000975465\n",
      " 150 │ Cpl + H --> CHpl                 0.000710565\n",
      " 151 │ Hpl + HDO --> HDOpl + H          0.000702098\n",
      " 152 │ Dpl + H2O --> HDOpl + H          0.000121877\n",
      " 153 │ Hpl + HCO --> HCOpl + H          6.24305e-5\n",
      " 154 │ H2O + H --> OH + H2              3.84817e-6\n",
      " 155 │ Hpl + H --> H2pl                 2.91294e-6\n",
      " 156 │ CO2 + H --> CO + OH              1.06592e-7\n",
      " 157 │ HO2 + H2 --> H2O2 + H            4.37853e-10\n",
      " 158 │ O2 + H2 --> HO2 + H              1.96851e-32\n",
      " 159 │ H2O --> H + H + O                0.0\n",
      " 160 │ HDO --> H + D + O                0.0\n",
      "\n",
      "For H2: \n",
      "100% of reactions is 86/86\n",
      "The column rate of top 100.0% of reactions is 3.9885013878256326e9\n",
      "Which equates to 100.0% of the total column rate (3.9885013878256326e9).\n",
      "\n",
      "\u001b[1m86×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                        \u001b[0m\u001b[1m Value           \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                     \u001b[0m\u001b[90m Float64         \u001b[0m\n",
      "─────┼─────────────────────────────────────────────\n",
      "   1 │ HO2 + H --> O2 + H2             2.08658e9\n",
      "   2 │ OH + H2 --> H2O + H             1.61533e9\n",
      "   3 │ O1D + H2 --> OH + H             1.32058e8\n",
      "   4 │ CO2pl + H2 --> HCO2pl + H       1.27302e8\n",
      "   5 │ H2 + O --> OH + H               1.87528e7\n",
      "   6 │ H + H + M --> H2 + M            4.65615e6\n",
      "   7 │ Opl + H2 --> OHpl + H           1.75584e6\n",
      "   8 │ OD + H2 --> HDO + H             4.26944e5\n",
      "   9 │ N2pl + H2 --> N2Hpl + H         2.96692e5\n",
      "  10 │ H2 --> H2pl                     2.86808e5\n",
      "  11 │ COpl + H2 --> HCOpl + H         1.94077e5\n",
      "  12 │ COpl + H2 --> HOCpl + H         1.94077e5\n",
      "  13 │ H2 --> H + H                    1.8797e5\n",
      "  14 │ H + H2O2 --> HO2 + H2           1.48487e5\n",
      "  15 │ H2O2 + H --> HO2 + H2           1.47959e5\n",
      "  16 │ H2O --> H2 + O1D            77580.8\n",
      "  17 │ H2 --> Hpl + H              31867.5\n",
      "  18 │ OHpl + H2 --> H2Opl + H     18653.6\n",
      "  19 │ HCO + H --> CO + H2         14080.3\n",
      "  20 │ H + HD --> H2 + D           10001.6\n",
      "  21 │ Npl + H2 --> NHpl + H        8746.9\n",
      "  22 │ H3Opl + E --> OH + H2        8729.07\n",
      "  23 │ H2Opl + O --> O2pl + H2      5514.01\n",
      "  24 │ H2pl + CO --> COpl + H2      3551.23\n",
      "  25 │ H2pl + H2 --> H3pl + H       2723.02\n",
      "  26 │ H2Opl + H2 --> H3Opl + H     2378.58\n",
      "  27 │ H3pl + CO2 --> HCO2pl + H2   1737.11\n",
      "  28 │ D + H2 --> HD + H            1566.65\n",
      "  29 │ H2Opl + E --> H2 + O          891.252\n",
      "  30 │ H3Opl + E --> H2 + O + H      812.475\n",
      "  31 │ H2pl + O2 --> O2pl + H2       519.224\n",
      "  32 │ H3pl + O --> OHpl + H2        427.638\n",
      "  33 │ H2pl + H --> Hpl + H2         401.013\n",
      "  34 │ H3pl + N2 --> N2Hpl + H2      277.577\n",
      "  35 │ CHpl + H --> Cpl + H2         196.222\n",
      "  36 │ H3pl + CO --> HCOpl + H2      117.363\n",
      "  37 │ HOCpl + H2 --> HCOpl + H2     105.09\n",
      "  38 │ H3pl + CO --> HOCpl + H2       78.6945\n",
      "  39 │ HOCpl + H2 --> H3pl + CO       74.116\n",
      "  40 │ Nup2D + H2O --> NO + H2        33.1079\n",
      "  41 │ OH + H --> H2 + O              30.301\n",
      "  42 │ NHpl + H2 --> H3pl + N         23.5771\n",
      "  43 │ ArHpl + H2 --> H3pl + Ar       20.952\n",
      "  44 │ H2DOpl + E --> OD + H2          9.2411\n",
      "  45 │ H3pl + Ar --> ArHpl + H2        8.72566\n",
      "  46 │ H3pl + O2 --> HO2pl + H2        6.40355\n",
      "  47 │ ODpl + H2 --> H2Opl + D         4.5858\n",
      "  48 │ ODpl + H2 --> HDOpl + H         4.5858\n",
      "  49 │ HO2pl + H2 --> H3pl + O2        4.58091\n",
      "  50 │ Dpl + H2 --> Hpl + HD           4.46848\n",
      "  51 │ Cpl + H2 --> CHpl + H           4.35272\n",
      "  52 │ H2Opl + N --> NOpl + H2         2.96111\n",
      "  53 │ H2O --> Opl + H2                2.69162\n",
      "  54 │ H3pl + E --> H2 + H             2.3703\n",
      "  55 │ Arpl + H2 --> ArHpl + H         1.58559\n",
      "  56 │ HDOpl + H2 --> H2DOpl + H       1.22527\n",
      "  57 │ HDOpl + H2 --> H3Opl + D        1.22527\n",
      "  58 │ H2pl + NO --> NOpl + H2         1.04259\n",
      "  59 │ H2DOpl + E --> H2 + O + D       0.860133\n",
      "  60 │ Hpl + HD --> Dpl + H2           0.580254\n",
      "  61 │ H3pl + C --> CHpl + H2          0.493831\n",
      "  62 │ H3pl + N --> NHpl + H2          0.151493\n",
      "  63 │ H3Opl + C --> HCOpl + H2        0.145331\n",
      "  64 │ H2pl + H2O --> H2Opl + H2       0.103124\n",
      "  65 │ CHpl + H2O --> HCOpl + H2       0.0557309\n",
      "  66 │ H2pl + OH --> OHpl + H2         0.0485939\n",
      "  67 │ DOCpl + H2 --> H2Dpl + CO       0.0477414\n",
      "  68 │ ArDpl + H2 --> H2Dpl + Ar       0.0418559\n",
      "  69 │ H2Dpl + CO --> DCOpl + H2       0.041759\n",
      "  70 │ DOCpl + H2 --> HCOpl + HD       0.0360155\n",
      "  71 │ Arpl + H2 --> H2pl + Ar         0.0323665\n",
      "  72 │ CHpl + OH --> COpl + H2         0.0291679\n",
      "  73 │ H3pl + NO --> HNOpl + H2        0.0290538\n",
      "  74 │ ArDpl + H2 --> ArHpl + HD       0.0214036\n",
      "  75 │ H2Dpl + H2 --> H3pl + HD        0.00562174\n",
      "  76 │ H3pl + H2O --> H3Opl + H2       0.00291609\n",
      "  77 │ H3pl + OH --> H2Opl + H2        0.00185583\n",
      "  78 │ NHpl + H2O --> HNOpl + H2       0.000844481\n",
      "  79 │ Hpl + HCO --> COpl + H2         6.24305e-5\n",
      "  80 │ N2Hpl + H2 --> H3pl + N2        3.62304e-5\n",
      "  81 │ H2pl + HCO --> HCOpl + H2       2.08199e-5\n",
      "  82 │ H2O + H --> OH + H2             3.84817e-6\n",
      "  83 │ HCO + HCO --> CO + CO + H2      1.14913e-6\n",
      "  84 │ HO2 + H2 --> H2O2 + H           4.37853e-10\n",
      "  85 │ O2 + H2 --> OH + OH             1.21192e-19\n",
      "  86 │ O2 + H2 --> HO2 + H             1.96851e-32\n",
      "\n",
      "For H2DOpl: \n",
      "100% of reactions is 14/14\n",
      "The column rate of top 100.0% of reactions is 267.1541552960093\n",
      "Which equates to 100.0% of the total column rate (267.1541552960093).\n",
      "\n",
      "\u001b[1m14×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                           \u001b[0m\u001b[1m Value       \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                        \u001b[0m\u001b[90m Float64     \u001b[0m\n",
      "─────┼────────────────────────────────────────────\n",
      "   1 │ HCOpl + HDO --> H2DOpl + CO    119.246\n",
      "   2 │ H2DOpl + E --> OD + H + H       39.719\n",
      "   3 │ H2DOpl + E --> OH + D + H       39.719\n",
      "   4 │ H2DOpl + E --> H2O + D          16.5274\n",
      "   5 │ H2DOpl + E --> HDO + H          16.5274\n",
      "   6 │ DCOpl + H2O --> H2DOpl + CO     12.463\n",
      "   7 │ H2DOpl + E --> OD + H2           9.2411\n",
      "   8 │ H2DOpl + E --> OH + HD           9.2411\n",
      "   9 │ HDOpl + H2 --> H2DOpl + H        1.22527\n",
      "  10 │ H2DOpl + E --> H2 + O + D        0.860133\n",
      "  11 │ H2DOpl + E --> HD + O + H        0.860133\n",
      "  12 │ HCO2pl + HDO --> H2DOpl + CO2    0.803133\n",
      "  13 │ H2Opl + HD --> H2DOpl + H        0.662357\n",
      "  14 │ DCO2pl + H2O --> H2DOpl + CO2    0.0588014\n",
      "\n",
      "For H2Dpl: \n",
      "100% of reactions is 7/7\n",
      "The column rate of top 100.0% of reactions is 0.26432856873893157\n",
      "Which equates to 100.0% of the total column rate (0.26432856873893157).\n",
      "\n",
      "\u001b[1m7×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                       \u001b[0m\u001b[1m Value      \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                    \u001b[0m\u001b[90m Float64    \u001b[0m\n",
      "─────┼───────────────────────────────────────\n",
      "   1 │ H2Dpl + CO --> HCOpl + HD  0.0847835\n",
      "   2 │ DOCpl + H2 --> H2Dpl + CO  0.0477414\n",
      "   3 │ ArDpl + H2 --> H2Dpl + Ar  0.0418559\n",
      "   4 │ H2Dpl + CO --> DCOpl + H2  0.041759\n",
      "   5 │ ArHpl + HD --> H2Dpl + Ar  0.0382802\n",
      "   6 │ H2Dpl + H2 --> H3pl + HD   0.00562174\n",
      "   7 │ HDpl + HD --> H2Dpl + D    0.0042868\n",
      "\n",
      "For H2O: \n",
      "100% of reactions is 65/65\n",
      "The column rate of top 100.0% of reactions is 6.848409222845484e10\n",
      "Which equates to 100.0% of the total column rate (6.848409222845484e10).\n",
      "\n",
      "\u001b[1m65×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                           \u001b[0m\u001b[1m Value            \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                        \u001b[0m\u001b[90m Float64          \u001b[0m\n",
      "─────┼─────────────────────────────────────────────────\n",
      "   1 │ H2O --> H + OH                      3.24901e10\n",
      "   2 │ HO2 + OH --> H2O + O2               3.06452e10\n",
      "   3 │ O1D + H2O --> OH + OH               1.62693e9\n",
      "   4 │ OH + H2 --> H2O + H                 1.61533e9\n",
      "   5 │ OH + H2O2 --> H2O + HO2             1.09603e9\n",
      "   6 │ HO2 + H --> H2O + O1D               9.67687e8\n",
      "   7 │ OH + OH --> H2O + O                 3.56231e7\n",
      "   8 │ OH + H + CO2 --> H2O + CO2          3.69939e6\n",
      "   9 │ H + H2O2 --> H2O + OH               1.42154e6\n",
      "  10 │ H2O2 + H --> H2O + OH               1.42154e6\n",
      "  11 │ OH + HD --> H2O + D            300805.0\n",
      "  12 │ OH + HDO2 --> H2O + DO2             1.48677e5\n",
      "  13 │ H2O --> H2 + O1D                77580.8\n",
      "  14 │ HCOpl + H2O --> H3Opl + CO      60708.7\n",
      "  15 │ CO2pl + H2O --> H2Opl + CO2     31542.2\n",
      "  16 │ CO2pl + H2O --> HCO2pl + OH     23211.5\n",
      "  17 │ H3Opl + E --> H2O + H           15611.6\n",
      "  18 │ H2Opl + O2 --> O2pl + H2O        4391.36\n",
      "  19 │ HOCO + OH --> CO2 + H2O           553.155\n",
      "  20 │ HCO2pl + H2O --> H3Opl + CO2      433.383\n",
      "  21 │ Opl + H2O --> H2Opl + O           290.967\n",
      "  22 │ H2O --> H2Opl                     162.661\n",
      "  23 │ HCO + OH --> H2O + CO             132.454\n",
      "  24 │ COpl + H2O --> H2Opl + CO          51.0511\n",
      "  25 │ D + H2O2 --> H2O + OD              37.4567\n",
      "  26 │ Nup2D + H2O --> NO + H2            33.1079\n",
      "  27 │ H2O --> OHpl + H                   31.6029\n",
      "  28 │ Cpl + H2O --> HOCpl + H            30.8976\n",
      "  29 │ H + HDO2 --> H2O + OD              28.4459\n",
      "  30 │ COpl + H2O --> HCOpl + OH          27.489\n",
      "  31 │ N2pl + H2O --> H2Opl + N2          20.1849\n",
      "  32 │ H2O --> Hpl + OH                   17.0067\n",
      "  33 │ H2DOpl + E --> H2O + D             16.5274\n",
      "  34 │ Cpl + H2O --> HCOpl + H            15.0817\n",
      "  35 │ DCOpl + H2O --> H2DOpl + CO        12.463\n",
      "  36 │ N2pl + H2O --> N2Hpl + OH           5.35431\n",
      "  37 │ H2Opl + NO --> NOpl + H2O           4.5727\n",
      "  38 │ Npl + H2O --> H2Opl + N             3.58096\n",
      "  39 │ Cpl + H2O --> H2Opl + C             3.43306\n",
      "  40 │ H2O --> Opl + H2                    2.69162\n",
      "  41 │ Hpl + H2O --> H2Opl + H             0.848848\n",
      "  42 │ OHpl + H2O --> H2Opl + OH           0.606347\n",
      "  43 │ OHpl + H2O --> H3Opl + O            0.495756\n",
      "  44 │ N2Hpl + H2O --> H3Opl + N2          0.368836\n",
      "  45 │ H2Opl + H2O --> H3Opl + OH          0.347821\n",
      "  46 │ H2O + O --> OH + OH                 0.347638\n",
      "  47 │ H2pl + H2O --> H2Opl + H2           0.103124\n",
      "  48 │ H2pl + H2O --> H3Opl + H            0.0913989\n",
      "  49 │ DCO2pl + H2O --> H2DOpl + CO2       0.0588014\n",
      "  50 │ CHpl + H2O --> HCOpl + H2           0.0557309\n",
      "  51 │ CHpl + H2O --> H3Opl + C            0.030422\n",
      "  52 │ H3pl + H2O --> H3Opl + H2           0.00291609\n",
      "  53 │ NHpl + H2O --> H3Opl + N            0.00253344\n",
      "  54 │ HNOpl + H2O --> H3Opl + NO          0.00158595\n",
      "  55 │ NHpl + H2O --> HNOpl + H2           0.000844481\n",
      "  56 │ Dpl + H2O --> H2Opl + D             0.000218603\n",
      "  57 │ HO2pl + H2O --> H3Opl + O2          0.000217933\n",
      "  58 │ Arpl + H2O --> H2Opl + Ar           0.000145007\n",
      "  59 │ Dpl + H2O --> HDOpl + H             0.000121877\n",
      "  60 │ Arpl + H2O --> ArHpl + OH           3.61403e-5\n",
      "  61 │ H2Opl + HCO --> HCOpl + H2O         1.93204e-5\n",
      "  62 │ H2O + H --> OH + H2                 3.84817e-6\n",
      "  63 │ HO2 + H2O --> H2O2 + OH             8.88464e-16\n",
      "  64 │ H2O --> H + H + O                   0.0\n",
      "  65 │ H2O2 --> H2O + O1D                  0.0\n",
      "\n",
      "For H2O2: \n",
      "100% of reactions is 19/19\n",
      "The column rate of top 100.0% of reactions is 4.531188710295528e10\n",
      "Which equates to 100.0% of the total column rate (4.531188710295528e10).\n",
      "\n",
      "\u001b[1m19×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                             \u001b[0m\u001b[1m Value            \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                          \u001b[0m\u001b[90m Float64          \u001b[0m\n",
      "─────┼───────────────────────────────────────────────────\n",
      "   1 │ HO2 + HO2 --> H2O2 + O2               2.27018e10\n",
      "   2 │ H2O2 --> OH + OH                      2.01288e10\n",
      "   3 │ OH + H2O2 --> H2O + HO2               1.09603e9\n",
      "   4 │ H2O2 --> HO2 + H                      1.07813e9\n",
      "   5 │ HO2 + HO2 + M --> H2O2 + O2 + M       2.81728e8\n",
      "   6 │ H2O2 + O --> HO2 + OH                 1.07641e7\n",
      "   7 │ O + H2O2 --> OH + HO2                 1.07641e7\n",
      "   8 │ H + H2O2 --> H2O + OH                 1.42154e6\n",
      "   9 │ H2O2 + H --> H2O + OH                 1.42154e6\n",
      "  10 │ OH + OH --> H2O2                      3.00472e5\n",
      "  11 │ OD + H2O2 --> HDO + HO2               2.88412e5\n",
      "  12 │ O1D + H2O2 --> H2O2 + O          151025.0\n",
      "  13 │ H + H2O2 --> HO2 + H2                 1.48487e5\n",
      "  14 │ H2O2 + H --> HO2 + H2                 1.47959e5\n",
      "  15 │ D + H2O2 --> H2O + OD                37.4567\n",
      "  16 │ D + H2O2 --> HDO + OH                37.4567\n",
      "  17 │ HO2 + H2 --> H2O2 + H                 4.37853e-10\n",
      "  18 │ HO2 + H2O --> H2O2 + OH               8.88464e-16\n",
      "  19 │ H2O2 --> H2O + O1D                    0.0\n",
      "\n",
      "For H2Opl: \n",
      "100% of reactions is 43/43\n",
      "The column rate of top 100.0% of reactions is 102955.94745668059\n",
      "Which equates to 100.0% of the total column rate (102955.94745668059).\n",
      "\n",
      "\u001b[1m43×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                         \u001b[0m\u001b[1m Value           \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                      \u001b[0m\u001b[90m Float64         \u001b[0m\n",
      "─────┼──────────────────────────────────────────────\n",
      "   1 │ CO2pl + H2O --> H2Opl + CO2  31542.2\n",
      "   2 │ H2Opl + CO --> HCOpl + OH    29197.4\n",
      "   3 │ OHpl + H2 --> H2Opl + H      18653.6\n",
      "   4 │ H2Opl + E --> O + H + H       7021.99\n",
      "   5 │ H2Opl + O --> O2pl + H2       5514.01\n",
      "   6 │ H2Opl + O2 --> O2pl + H2O     4391.36\n",
      "   7 │ H2Opl + H2 --> H3Opl + H      2378.58\n",
      "   8 │ H2Opl + E --> OH + H          1978.31\n",
      "   9 │ H2Opl + E --> H2 + O           891.252\n",
      "  10 │ HCOpl + OH --> H2Opl + CO      588.811\n",
      "  11 │ Opl + H2O --> H2Opl + O        290.967\n",
      "  12 │ H3pl + O --> H2Opl + H         183.62\n",
      "  13 │ H2O --> H2Opl                  162.661\n",
      "  14 │ COpl + H2O --> H2Opl + CO       51.0511\n",
      "  15 │ H2Opl + C --> CHpl + OH         34.7721\n",
      "  16 │ N2pl + H2O --> H2Opl + N2       20.1849\n",
      "  17 │ OHpl + HD --> H2Opl + D         20.0046\n",
      "  18 │ H2Opl + N --> HNOpl + H         11.8444\n",
      "  19 │ ODpl + H2 --> H2Opl + D          4.5858\n",
      "  20 │ H2Opl + NO --> NOpl + H2O        4.5727\n",
      "  21 │ Npl + H2O --> H2Opl + N          3.58096\n",
      "  22 │ Cpl + H2O --> H2Opl + C          3.43306\n",
      "  23 │ H2Opl + N --> NOpl + H2          2.96111\n",
      "  24 │ Hpl + H2O --> H2Opl + H          0.848848\n",
      "  25 │ H2Opl + HD --> H2DOpl + H        0.662357\n",
      "  26 │ H2Opl + HD --> H3Opl + D         0.662357\n",
      "  27 │ OHpl + OH --> H2Opl + O          0.651195\n",
      "  28 │ OHpl + H2O --> H2Opl + OH        0.606347\n",
      "  29 │ H2Opl + H2O --> H3Opl + OH       0.347821\n",
      "  30 │ N2Hpl + OH --> H2Opl + N2        0.221286\n",
      "  31 │ H2Opl + OH --> H3Opl + O         0.135253\n",
      "  32 │ H2pl + H2O --> H2Opl + H2        0.103124\n",
      "  33 │ H2pl + OH --> H2Opl + H          0.0485939\n",
      "  34 │ NHpl + OH --> H2Opl + N          0.00606642\n",
      "  35 │ H3pl + OH --> H2Opl + H2         0.00185583\n",
      "  36 │ HNOpl + OH --> H2Opl + NO        0.00104962\n",
      "  37 │ Hpl + HDO --> H2Opl + D          0.000702098\n",
      "  38 │ HO2pl + OH --> H2Opl + O2        0.000476453\n",
      "  39 │ Dpl + H2O --> H2Opl + D          0.000218603\n",
      "  40 │ Arpl + H2O --> H2Opl + Ar        0.000145007\n",
      "  41 │ OHpl + HCO --> H2Opl + CO        8.73569e-5\n",
      "  42 │ H2Opl + HCO --> H3Opl + CO       1.93204e-5\n",
      "  43 │ H2Opl + HCO --> HCOpl + H2O      1.93204e-5\n",
      "\n",
      "For H2pl: \n",
      "100% of reactions is 25/25\n",
      "The column rate of top 100.0% of reactions is 573614.5954446219\n",
      "Which equates to 100.0% of the total column rate (573614.5954446219).\n",
      "\n",
      "\u001b[1m25×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                       \u001b[0m\u001b[1m Value          \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                    \u001b[0m\u001b[90m Float64        \u001b[0m\n",
      "─────┼───────────────────────────────────────────\n",
      "   1 │ H2 --> H2pl                    2.86808e5\n",
      "   2 │ H2pl + CO2 --> HCO2pl + H      1.9573e5\n",
      "   3 │ H2pl + O --> OHpl + H      40705.8\n",
      "   4 │ H2pl + N2 --> N2Hpl + H    20752.5\n",
      "   5 │ H2pl + CO --> HCOpl + H    15991.5\n",
      "   6 │ H2pl + Ar --> ArHpl + H     4987.98\n",
      "   7 │ H2pl + CO --> COpl + H2     3551.23\n",
      "   8 │ H2pl + H2 --> H3pl + H      2723.02\n",
      "   9 │ H2pl + O2 --> HO2pl + H     1273.19\n",
      "  10 │ H2pl + O2 --> O2pl + H2      519.224\n",
      "  11 │ H2pl + H --> Hpl + H2        401.013\n",
      "  12 │ H2pl + E --> H + H            92.4611\n",
      "  13 │ H2pl + N --> NHpl + H         50.1047\n",
      "  14 │ H2pl + C --> CHpl + H         25.9179\n",
      "  15 │ H2pl + NO --> HNOpl + H        1.04259\n",
      "  16 │ H2pl + NO --> NOpl + H2        1.04259\n",
      "  17 │ H2pl + H2O --> H2Opl + H2      0.103124\n",
      "  18 │ H2pl + H2O --> H3Opl + H       0.0913989\n",
      "  19 │ H2pl + OH --> H2Opl + H        0.0485939\n",
      "  20 │ H2pl + OH --> OHpl + H2        0.0485939\n",
      "  21 │ Arpl + H2 --> H2pl + Ar        0.0323665\n",
      "  22 │ Hpl + HCO --> H2pl + CO        6.24305e-5\n",
      "  23 │ H2pl + HCO --> H3pl + CO       2.08199e-5\n",
      "  24 │ H2pl + HCO --> HCOpl + H2      2.08199e-5\n",
      "  25 │ Hpl + H --> H2pl               2.91294e-6\n",
      "\n",
      "For H3Opl: \n",
      "100% of reactions is 21/21\n",
      "The column rate of top 100.0% of reactions is 126195.46116816218\n",
      "Which equates to 100.0% of the total column rate (126195.46116816218).\n",
      "\n",
      "\u001b[1m21×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                          \u001b[0m\u001b[1m Value           \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                       \u001b[0m\u001b[90m Float64         \u001b[0m\n",
      "─────┼───────────────────────────────────────────────\n",
      "   1 │ HCOpl + H2O --> H3Opl + CO    60708.7\n",
      "   2 │ H3Opl + E --> OH + H + H      37518.2\n",
      "   3 │ H3Opl + E --> H2O + H         15611.6\n",
      "   4 │ H3Opl + E --> OH + H2          8729.07\n",
      "   5 │ H2Opl + H2 --> H3Opl + H       2378.58\n",
      "   6 │ H3Opl + E --> H2 + O + H        812.475\n",
      "   7 │ HCO2pl + H2O --> H3Opl + CO2    433.383\n",
      "   8 │ HDOpl + H2 --> H3Opl + D          1.22527\n",
      "   9 │ H2Opl + HD --> H3Opl + D          0.662357\n",
      "  10 │ OHpl + H2O --> H3Opl + O          0.495756\n",
      "  11 │ N2Hpl + H2O --> H3Opl + N2        0.368836\n",
      "  12 │ H2Opl + H2O --> H3Opl + OH        0.347821\n",
      "  13 │ H3Opl + C --> HCOpl + H2          0.145331\n",
      "  14 │ H2Opl + OH --> H3Opl + O          0.135253\n",
      "  15 │ H2pl + H2O --> H3Opl + H          0.0913989\n",
      "  16 │ CHpl + H2O --> H3Opl + C          0.030422\n",
      "  17 │ H3pl + H2O --> H3Opl + H2         0.00291609\n",
      "  18 │ NHpl + H2O --> H3Opl + N          0.00253344\n",
      "  19 │ HNOpl + H2O --> H3Opl + NO        0.00158595\n",
      "  20 │ HO2pl + H2O --> H3Opl + O2        0.000217933\n",
      "  21 │ H2Opl + HCO --> H3Opl + CO        1.93204e-5\n",
      "\n",
      "For H3pl: \n",
      "100% of reactions is 23/23\n",
      "The column rate of top 100.0% of reactions is 5690.843523995101\n",
      "Which equates to 100.0% of the total column rate (5690.843523995101).\n",
      "\n",
      "\u001b[1m23×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                        \u001b[0m\u001b[1m Value         \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                     \u001b[0m\u001b[90m Float64       \u001b[0m\n",
      "─────┼───────────────────────────────────────────\n",
      "   1 │ H2pl + H2 --> H3pl + H      2723.02\n",
      "   2 │ H3pl + CO2 --> HCO2pl + H2  1737.11\n",
      "   3 │ H3pl + O --> OHpl + H2       427.638\n",
      "   4 │ H3pl + N2 --> N2Hpl + H2     277.577\n",
      "   5 │ H3pl + O --> H2Opl + H       183.62\n",
      "   6 │ H3pl + CO --> HCOpl + H2     117.363\n",
      "   7 │ H3pl + CO --> HOCpl + H2      78.6945\n",
      "   8 │ HOCpl + H2 --> H3pl + CO      74.116\n",
      "   9 │ NHpl + H2 --> H3pl + N        23.5771\n",
      "  10 │ ArHpl + H2 --> H3pl + Ar      20.952\n",
      "  11 │ H3pl + Ar --> ArHpl + H2       8.72566\n",
      "  12 │ H3pl + O2 --> HO2pl + H2       6.40355\n",
      "  13 │ HO2pl + H2 --> H3pl + O2       4.58091\n",
      "  14 │ H3pl + E --> H + H + H         4.41689\n",
      "  15 │ H3pl + E --> H2 + H            2.3703\n",
      "  16 │ H3pl + C --> CHpl + H2         0.493831\n",
      "  17 │ H3pl + N --> NHpl + H2         0.151493\n",
      "  18 │ H3pl + NO --> HNOpl + H2       0.0290538\n",
      "  19 │ H2Dpl + H2 --> H3pl + HD       0.00562174\n",
      "  20 │ H3pl + H2O --> H3Opl + H2      0.00291609\n",
      "  21 │ H3pl + OH --> H2Opl + H2       0.00185583\n",
      "  22 │ N2Hpl + H2 --> H3pl + N2       3.62304e-5\n",
      "  23 │ H2pl + HCO --> H3pl + CO       2.08199e-5\n",
      "\n",
      "For HCO: \n",
      "100% of reactions is 31/31\n",
      "The column rate of top 100.0% of reactions is 5.242318647211368e7\n",
      "Which equates to 100.0% of the total column rate (5.242318647211368e7).\n",
      "\n",
      "\u001b[1m31×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                         \u001b[0m\u001b[1m Value           \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                      \u001b[0m\u001b[90m Float64         \u001b[0m\n",
      "─────┼──────────────────────────────────────────────\n",
      "   1 │ CO + H --> HCO                   2.61704e7\n",
      "   2 │ HCO + O2 --> HO2 + CO            2.22961e7\n",
      "   3 │ HCO + O2 --> CO2 + OH            3.25867e6\n",
      "   4 │ HCO + O --> CO + OH              3.41079e5\n",
      "   5 │ HCO + O --> CO2 + H              3.41079e5\n",
      "   6 │ HCO + H --> CO + H2          14080.3\n",
      "   7 │ NHpl + CO2 --> NOpl + HCO     1635.31\n",
      "   8 │ HCO + OH --> H2O + CO          132.454\n",
      "   9 │ HCO + D --> CO + HD              5.67946\n",
      "  10 │ O2pl + HCO --> HCOpl + O2        1.60158\n",
      "  11 │ O2pl + HCO --> HO2pl + CO        1.60158\n",
      "  12 │ HCO + OD --> HDO + CO            0.0295915\n",
      "  13 │ Opl + HCO --> HCOpl + O          0.00870521\n",
      "  14 │ Opl + HCO --> OHpl + CO          0.00870521\n",
      "  15 │ COpl + HCO --> HCOpl + CO        0.00360049\n",
      "  16 │ N2pl + HCO --> HCOpl + N2        0.00151356\n",
      "  17 │ N2pl + HCO --> N2Hpl + CO        0.00151356\n",
      "  18 │ Cpl + HCO --> CHpl + CO          0.000827448\n",
      "  19 │ Cpl + HCO --> HCOpl + C          0.000827448\n",
      "  20 │ Npl + HCO --> HCOpl + N          0.000199854\n",
      "  21 │ Npl + HCO --> NHpl + CO          0.000199854\n",
      "  22 │ OHpl + HCO --> H2Opl + CO        8.73569e-5\n",
      "  23 │ OHpl + HCO --> HCOpl + OH        8.73569e-5\n",
      "  24 │ Hpl + HCO --> COpl + H2          6.24305e-5\n",
      "  25 │ Hpl + HCO --> H2pl + CO          6.24305e-5\n",
      "  26 │ Hpl + HCO --> HCOpl + H          6.24305e-5\n",
      "  27 │ H2pl + HCO --> H3pl + CO         2.08199e-5\n",
      "  28 │ H2pl + HCO --> HCOpl + H2        2.08199e-5\n",
      "  29 │ H2Opl + HCO --> H3Opl + CO       1.93204e-5\n",
      "  30 │ H2Opl + HCO --> HCOpl + H2O      1.93204e-5\n",
      "  31 │ HCO + HCO --> CO + CO + H2       1.14913e-6\n",
      "\n",
      "For HCO2pl: \n",
      "100% of reactions is 23/23\n",
      "The column rate of top 100.0% of reactions is 2.5920568598671755e8\n",
      "Which equates to 100.0% of the total column rate (2.5920568598671755e8).\n",
      "\n",
      "\u001b[1m23×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                           \u001b[0m\u001b[1m Value         \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                        \u001b[0m\u001b[90m Float64       \u001b[0m\n",
      "─────┼──────────────────────────────────────────────\n",
      "   1 │ CO2pl + H2 --> HCO2pl + H          1.27302e8\n",
      "   2 │ HCO2pl + O --> HCOpl + O2          6.29888e7\n",
      "   3 │ HCO2pl + CO --> HCOpl + CO2        5.90042e7\n",
      "   4 │ HCO2pl + E --> CO + O + H          5.32587e6\n",
      "   5 │ HCO2pl + E --> CO + OH             2.11468e6\n",
      "   6 │ OHpl + CO2 --> HCO2pl + O          1.42099e6\n",
      "   7 │ HCO2pl + E --> CO2 + H             3.91608e5\n",
      "   8 │ N2Hpl + CO2 --> HCO2pl + N2        3.07621e5\n",
      "   9 │ H2pl + CO2 --> HCO2pl + H          1.9573e5\n",
      "  10 │ HOCpl + CO2 --> HCO2pl + CO    86657.0\n",
      "  11 │ CO2pl + H2O --> HCO2pl + OH    23211.5\n",
      "  12 │ CO2pl + HD --> HCO2pl + D      19192.6\n",
      "  13 │ HCO2pl + C --> CHpl + CO2      13221.6\n",
      "  14 │ ArHpl + CO2 --> HCO2pl + Ar     3882.06\n",
      "  15 │ NHpl + CO2 --> HCO2pl + N       1907.86\n",
      "  16 │ HNOpl + CO2 --> HCO2pl + NO     1756.93\n",
      "  17 │ H3pl + CO2 --> HCO2pl + H2      1737.11\n",
      "  18 │ HO2pl + CO2 --> HCO2pl + O2     1006.02\n",
      "  19 │ HCOpl + OH --> HCO2pl + H        952.004\n",
      "  20 │ HCO2pl + H2O --> H3Opl + CO2     433.383\n",
      "  21 │ HDpl + CO2 --> HCO2pl + D        145.314\n",
      "  22 │ CO2pl + HDO --> HCO2pl + OD       10.975\n",
      "  23 │ HCO2pl + HDO --> H2DOpl + CO2      0.803133\n",
      "\n",
      "For HCOpl: \n",
      "100% of reactions is 50/50\n",
      "The column rate of top 100.0% of reactions is 2.914250888038997e8\n",
      "Which equates to 100.0% of the total column rate (2.914250888038997e8).\n",
      "\n",
      "\u001b[1m50×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                         \u001b[0m\u001b[1m Value           \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                      \u001b[0m\u001b[90m Float64         \u001b[0m\n",
      "─────┼──────────────────────────────────────────────\n",
      "   1 │ HCOpl + E --> CO + H             1.42594e8\n",
      "   2 │ HCO2pl + O --> HCOpl + O2        6.29888e7\n",
      "   3 │ HCO2pl + CO --> HCOpl + CO2      5.90042e7\n",
      "   4 │ CO2pl + H --> HCOpl + O          2.19129e7\n",
      "   5 │ Hpl + CO2 --> HCOpl + O          3.17428e6\n",
      "   6 │ HCOpl + E --> OH + C             8.2702e5\n",
      "   7 │ CHpl + CO2 --> HCOpl + CO        2.67614e5\n",
      "   8 │ HCOpl + C --> CHpl + CO          2.62679e5\n",
      "   9 │ COpl + H2 --> HCOpl + H          1.94077e5\n",
      "  10 │ OHpl + CO --> HCOpl + O      64253.6\n",
      "  11 │ HCOpl + H2O --> H3Opl + CO   60708.7\n",
      "  12 │ H2Opl + CO --> HCOpl + OH    29197.4\n",
      "  13 │ N2Hpl + CO --> HCOpl + N2    23901.6\n",
      "  14 │ H2pl + CO --> HCOpl + H      15991.5\n",
      "  15 │ HOCpl + CO --> HCOpl + CO     1840.05\n",
      "  16 │ HCOpl + OH --> HCO2pl + H      952.004\n",
      "  17 │ CHpl + O2 --> HCOpl + O        795.594\n",
      "  18 │ HCOpl + OH --> H2Opl + CO      588.811\n",
      "  19 │ HCOpl + D --> DCOpl + H        415.847\n",
      "  20 │ ArHpl + CO --> HCOpl + Ar      261.359\n",
      "  21 │ NHpl + CO --> HCOpl + N        200.802\n",
      "  22 │ HNOpl + CO --> HCOpl + NO      127.126\n",
      "  23 │ HCOpl + HDO --> H2DOpl + CO    119.246\n",
      "  24 │ H3pl + CO --> HCOpl + H2       117.363\n",
      "  25 │ HOCpl + H2 --> HCOpl + H2      105.09\n",
      "  26 │ COpl + HD --> HCOpl + D         57.3194\n",
      "  27 │ HO2pl + CO --> HCOpl + O2       57.169\n",
      "  28 │ HDOpl + CO --> HCOpl + OD       37.1698\n",
      "  29 │ DCOpl + H --> HCOpl + D         34.1463\n",
      "  30 │ COpl + H2O --> HCOpl + OH       27.489\n",
      "  31 │ Cpl + H2O --> HCOpl + H         15.0817\n",
      "  32 │ HDpl + CO --> HCOpl + D         10.9446\n",
      "  33 │ COpl + OH --> HCOpl + O          5.40559\n",
      "  34 │ CHpl + CO --> HCOpl + C          2.51542\n",
      "  35 │ O2pl + HCO --> HCOpl + O2        1.60158\n",
      "  36 │ H3Opl + C --> HCOpl + H2         0.145331\n",
      "  37 │ H2Dpl + CO --> HCOpl + HD        0.0847835\n",
      "  38 │ CHpl + H2O --> HCOpl + H2        0.0557309\n",
      "  39 │ DOCpl + H2 --> HCOpl + HD        0.0360155\n",
      "  40 │ COpl + HDO --> HCOpl + OD        0.0251372\n",
      "  41 │ Opl + HCO --> HCOpl + O          0.00870521\n",
      "  42 │ Cpl + HDO --> HCOpl + D          0.00700875\n",
      "  43 │ COpl + HCO --> HCOpl + CO        0.00360049\n",
      "  44 │ N2pl + HCO --> HCOpl + N2        0.00151356\n",
      "  45 │ Cpl + HCO --> HCOpl + C          0.000827448\n",
      "  46 │ Npl + HCO --> HCOpl + N          0.000199854\n",
      "  47 │ OHpl + HCO --> HCOpl + OH        8.73569e-5\n",
      "  48 │ Hpl + HCO --> HCOpl + H          6.24305e-5\n",
      "  49 │ H2pl + HCO --> HCOpl + H2        2.08199e-5\n",
      "  50 │ H2Opl + HCO --> HCOpl + H2O      1.93204e-5\n",
      "\n",
      "For HD: \n",
      "100% of reactions is 51/51\n",
      "The column rate of top 100.0% of reactions is 2.6517907901187344e6\n",
      "Which equates to 100.0% of the total column rate (2.6517907901187344e6).\n",
      "\n",
      "\u001b[1m51×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                       \u001b[0m\u001b[1m Value            \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                    \u001b[0m\u001b[90m Float64          \u001b[0m\n",
      "─────┼─────────────────────────────────────────────\n",
      "   1 │ OH + HD --> HDO + H             7.62911e5\n",
      "   2 │ H + DO2 --> HD + O2        754308.0\n",
      "   3 │ D + HO2 --> HD + O2             6.397e5\n",
      "   4 │ OH + HD --> H2O + D        300805.0\n",
      "   5 │ O1D + HD --> D + OH         67540.7\n",
      "   6 │ O1D + HD --> H + OD         67540.7\n",
      "   7 │ CO2pl + HD --> DCO2pl + H   19192.6\n",
      "   8 │ CO2pl + HD --> HCO2pl + D   19192.6\n",
      "   9 │ H + HD --> H2 + D           10001.6\n",
      "  10 │ HD + O --> OH + D            2753.05\n",
      "  11 │ H + D + M --> HD + M         1860.98\n",
      "  12 │ D + H2 --> HD + H            1566.65\n",
      "  13 │ Opl + HD --> OHpl + D        1040.84\n",
      "  14 │ HD + O --> OD + H            1004.58\n",
      "  15 │ Opl + HD --> ODpl + H         886.639\n",
      "  16 │ HD --> HDpl                   408.143\n",
      "  17 │ HD --> H + D                  271.271\n",
      "  18 │ N2pl + HD --> N2Dpl + H       172.373\n",
      "  19 │ N2pl + HD --> N2Hpl + D       165.613\n",
      "  20 │ COpl + HD --> DCOpl + H        57.3194\n",
      "  21 │ COpl + HD --> DOCpl + H        57.3194\n",
      "  22 │ COpl + HD --> HCOpl + D        57.3194\n",
      "  23 │ COpl + HD --> HOCpl + D        57.3194\n",
      "  24 │ HDO --> HD + O1D               51.541\n",
      "  25 │ HD --> Dpl + H                 45.3492\n",
      "  26 │ HD --> Hpl + D                 45.3492\n",
      "  27 │ HDOpl + O --> O2pl + HD        20.5053\n",
      "  28 │ OHpl + HD --> H2Opl + D        20.0046\n",
      "  29 │ OHpl + HD --> HDOpl + H        20.0046\n",
      "  30 │ H2DOpl + E --> OH + HD          9.2411\n",
      "  31 │ DCO + H --> CO + HD             8.01274\n",
      "  32 │ HCO + D --> CO + HD             5.67946\n",
      "  33 │ Dpl + H2 --> Hpl + HD           4.46848\n",
      "  34 │ HDOpl + E --> HD + O            3.09606\n",
      "  35 │ Npl + HD --> NHpl + D           2.30923\n",
      "  36 │ H2DOpl + E --> HD + O + H       0.860133\n",
      "  37 │ H2Opl + HD --> H2DOpl + H       0.662357\n",
      "  38 │ H2Opl + HD --> H3Opl + D        0.662357\n",
      "  39 │ Hpl + HD --> Dpl + H2           0.580254\n",
      "  40 │ H2Dpl + CO --> HCOpl + HD       0.0847835\n",
      "  41 │ ArHpl + HD --> H2Dpl + Ar       0.0382802\n",
      "  42 │ DOCpl + H2 --> HCOpl + HD       0.0360155\n",
      "  43 │ ArDpl + H2 --> ArHpl + HD       0.0214036\n",
      "  44 │ HDOpl + N --> NOpl + HD         0.00925532\n",
      "  45 │ H2Dpl + H2 --> H3pl + HD        0.00562174\n",
      "  46 │ HDO --> Opl + HD                0.00511527\n",
      "  47 │ HDpl + HD --> H2Dpl + D         0.0042868\n",
      "  48 │ Arpl + HD --> ArDpl + H         0.000975465\n",
      "  49 │ Arpl + HD --> ArHpl + D         0.000934821\n",
      "  50 │ Arpl + HD --> HDpl + Ar         0.000121933\n",
      "  51 │ Cpl + HD --> CHpl + D           2.973e-6\n",
      "\n",
      "For HDO: \n",
      "100% of reactions is 51/51\n",
      "The column rate of top 100.0% of reactions is 3.9726789234439895e7\n",
      "Which equates to 100.0% of the total column rate (3.9726789234439895e7).\n",
      "\n",
      "\u001b[1m51×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                           \u001b[0m\u001b[1m Value            \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                        \u001b[0m\u001b[90m Float64          \u001b[0m\n",
      "─────┼─────────────────────────────────────────────────\n",
      "   1 │ OH + DO2 --> HDO + O2               8.90007e6\n",
      "   2 │ OD + HO2 --> HDO + O2               8.75583e6\n",
      "   3 │ HDO --> D + OH                      8.49736e6\n",
      "   4 │ HDO --> H + OD                      8.49736e6\n",
      "   5 │ O1D + HDO --> OD + OH               2.78704e6\n",
      "   6 │ OH + HD --> HDO + H                 7.62911e5\n",
      "   7 │ OD + H2 --> HDO + H                 4.26944e5\n",
      "   8 │ H + DO2 --> HDO + O1D          349824.0\n",
      "   9 │ D + HO2 --> HDO + O1D               2.96673e5\n",
      "  10 │ OD + H2O2 --> HDO + HO2             2.88412e5\n",
      "  11 │ OH + HDO2 --> HDO + HO2             1.48677e5\n",
      "  12 │ OD + OH --> HDO + O             12561.5\n",
      "  13 │ H + OD + CO2 --> HDO + CO2       1518.84\n",
      "  14 │ D + OH + CO2 --> HDO + CO2       1173.31\n",
      "  15 │ CO2pl + HDO --> HDOpl + CO2       131.7\n",
      "  16 │ HCOpl + HDO --> H2DOpl + CO       119.246\n",
      "  17 │ HDO --> HD + O1D                   51.541\n",
      "  18 │ D + H2O2 --> HDO + OH              37.4567\n",
      "  19 │ H + HDO2 --> HDO + OH              28.4459\n",
      "  20 │ HDOpl + O2 --> O2pl + HDO          24.5543\n",
      "  21 │ H2DOpl + E --> HDO + H             16.5274\n",
      "  22 │ CO2pl + HDO --> DCO2pl + OH        10.975\n",
      "  23 │ CO2pl + HDO --> HCO2pl + OD        10.975\n",
      "  24 │ HCO2pl + HDO --> H2DOpl + CO2       0.803133\n",
      "  25 │ Opl + HDO --> HDOpl + O             0.52758\n",
      "  26 │ HDO --> HDOpl                       0.30218\n",
      "  27 │ HOCO + OD --> CO2 + HDO             0.17565\n",
      "  28 │ DOCO + OH --> CO2 + HDO             0.168086\n",
      "  29 │ COpl + HDO --> HDOpl + CO           0.0933668\n",
      "  30 │ HDO --> ODpl + H                    0.0586517\n",
      "  31 │ HDO --> OHpl + D                    0.0586517\n",
      "  32 │ N2pl + HDO --> HDOpl + N2           0.035161\n",
      "  33 │ HDO --> Dpl + OH                    0.0319346\n",
      "  34 │ HDO --> Hpl + OD                    0.0319346\n",
      "  35 │ DCO + OH --> HDO + CO               0.0310397\n",
      "  36 │ HCO + OD --> HDO + CO               0.0295915\n",
      "  37 │ COpl + HDO --> DCOpl + OH           0.0251372\n",
      "  38 │ COpl + HDO --> HCOpl + OD           0.0251372\n",
      "  39 │ HDOpl + NO --> NOpl + HDO           0.0217685\n",
      "  40 │ Cpl + HDO --> DOCpl + H             0.0142392\n",
      "  41 │ Cpl + HDO --> HOCpl + D             0.0142392\n",
      "  42 │ Cpl + HDO --> DCOpl + H             0.00700875\n",
      "  43 │ Cpl + HDO --> HCOpl + D             0.00700875\n",
      "  44 │ Cpl + HDO --> HDOpl + C             0.00632853\n",
      "  45 │ HDO --> Opl + HD                    0.00511527\n",
      "  46 │ N2pl + HDO --> N2Dpl + OH           0.00466346\n",
      "  47 │ N2pl + HDO --> N2Hpl + OD           0.00466346\n",
      "  48 │ Hpl + HDO --> H2Opl + D             0.000702098\n",
      "  49 │ Hpl + HDO --> HDOpl + H             0.000702098\n",
      "  50 │ HDO --> H + D + O                   0.0\n",
      "  51 │ HDO2 --> HDO + O1D                  0.0\n",
      "\n",
      "For HDO2: \n",
      "100% of reactions is 13/13\n",
      "The column rate of top 100.0% of reactions is 1.2557842024552768e7\n",
      "Which equates to 100.0% of the total column rate (1.2557842024552768e7).\n",
      "\n",
      "\u001b[1m13×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                             \u001b[0m\u001b[1m Value         \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                          \u001b[0m\u001b[90m Float64       \u001b[0m\n",
      "─────┼────────────────────────────────────────────────\n",
      "   1 │ DO2 + HO2 --> HDO2 + O2              6.28822e6\n",
      "   2 │ HDO2 --> OH + OD                     5.58897e6\n",
      "   3 │ HDO2 --> DO2 + H                     1.49586e5\n",
      "   4 │ HDO2 --> HO2 + D                     1.49586e5\n",
      "   5 │ OH + HDO2 --> H2O + DO2              1.48677e5\n",
      "   6 │ OH + HDO2 --> HDO + HO2              1.48677e5\n",
      "   7 │ HO2 + DO2 + M --> HDO2 + O2 + M  81018.4\n",
      "   8 │ O + HDO2 --> OD + HO2             1482.19\n",
      "   9 │ O + HDO2 --> OH + DO2             1482.19\n",
      "  10 │ OD + OH --> HDO2                    86.8041\n",
      "  11 │ H + HDO2 --> H2O + OD               28.4459\n",
      "  12 │ H + HDO2 --> HDO + OH               28.4459\n",
      "  13 │ HDO2 --> HDO + O1D                   0.0\n",
      "\n",
      "For HDOpl: \n",
      "100% of reactions is 23/23\n",
      "The column rate of top 100.0% of reactions is 313.5074168662531\n",
      "Which equates to 100.0% of the total column rate (313.5074168662531).\n",
      "\n",
      "\u001b[1m23×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                         \u001b[0m\u001b[1m Value         \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                      \u001b[0m\u001b[90m Float64       \u001b[0m\n",
      "─────┼────────────────────────────────────────────\n",
      "   1 │ CO2pl + HDO --> HDOpl + CO2  131.7\n",
      "   2 │ HDOpl + CO --> DCOpl + OH     37.1698\n",
      "   3 │ HDOpl + CO --> HCOpl + OD     37.1698\n",
      "   4 │ HDOpl + O2 --> O2pl + HDO     24.5543\n",
      "   5 │ HDOpl + E --> O + D + H       24.3932\n",
      "   6 │ HDOpl + O --> O2pl + HD       20.5053\n",
      "   7 │ OHpl + HD --> HDOpl + H       20.0046\n",
      "   8 │ ODpl + H2 --> HDOpl + H        4.5858\n",
      "   9 │ HDOpl + E --> OD + H           3.43616\n",
      "  10 │ HDOpl + E --> OH + D           3.43616\n",
      "  11 │ HDOpl + E --> HD + O           3.09606\n",
      "  12 │ HDOpl + H2 --> H2DOpl + H      1.22527\n",
      "  13 │ HDOpl + H2 --> H3Opl + D       1.22527\n",
      "  14 │ Opl + HDO --> HDOpl + O        0.52758\n",
      "  15 │ HDO --> HDOpl                  0.30218\n",
      "  16 │ COpl + HDO --> HDOpl + CO      0.0933668\n",
      "  17 │ N2pl + HDO --> HDOpl + N2      0.035161\n",
      "  18 │ HDOpl + NO --> NOpl + HDO      0.0217685\n",
      "  19 │ HDOpl + N --> HNOpl + D        0.00925532\n",
      "  20 │ HDOpl + N --> NOpl + HD        0.00925532\n",
      "  21 │ Cpl + HDO --> HDOpl + C        0.00632853\n",
      "  22 │ Hpl + HDO --> HDOpl + H        0.000702098\n",
      "  23 │ Dpl + H2O --> HDOpl + H        0.000121877\n",
      "\n",
      "For HDpl: \n",
      "100% of reactions is 15/15\n",
      "The column rate of top 100.0% of reactions is 816.2822496987881\n",
      "Which equates to 100.0% of the total column rate (816.2822496987881).\n",
      "\n",
      "\u001b[1m15×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                       \u001b[0m\u001b[1m Value         \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                    \u001b[0m\u001b[90m Float64       \u001b[0m\n",
      "─────┼──────────────────────────────────────────\n",
      "   1 │ HD --> HDpl                408.143\n",
      "   2 │ HDpl + CO2 --> DCO2pl + H  145.314\n",
      "   3 │ HDpl + CO2 --> HCO2pl + D  145.314\n",
      "   4 │ HDpl + O --> ODpl + H       25.759\n",
      "   5 │ HDpl + O --> OHpl + D       25.759\n",
      "   6 │ HDpl + N2 --> N2Dpl + H     14.2168\n",
      "   7 │ HDpl + N2 --> N2Hpl + D     14.2168\n",
      "   8 │ HDpl + CO --> DCOpl + H     10.9446\n",
      "   9 │ HDpl + CO --> HCOpl + D     10.9446\n",
      "  10 │ HDpl + Ar --> ArHpl + D      8.03077\n",
      "  11 │ HDpl + Ar --> ArDpl + H      6.57063\n",
      "  12 │ HDpl + O2 --> HO2pl + D      0.89338\n",
      "  13 │ HDpl + E --> H + D           0.170984\n",
      "  14 │ HDpl + HD --> H2Dpl + D      0.0042868\n",
      "  15 │ Arpl + HD --> HDpl + Ar      0.000121933\n",
      "\n",
      "For HNOpl: \n",
      "100% of reactions is 17/17\n",
      "The column rate of top 100.0% of reactions is 3860.7275492160315\n",
      "Which equates to 100.0% of the total column rate (3860.7275492160315).\n",
      "\n",
      "\u001b[1m17×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                         \u001b[0m\u001b[1m Value          \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                      \u001b[0m\u001b[90m Float64        \u001b[0m\n",
      "─────┼─────────────────────────────────────────────\n",
      "   1 │ NHpl + CO2 --> HNOpl + CO    1907.86\n",
      "   2 │ HNOpl + CO2 --> HCO2pl + NO  1756.93\n",
      "   3 │ HNOpl + CO --> HCOpl + NO     127.126\n",
      "   4 │ HNOpl + E --> NO + H           42.9243\n",
      "   5 │ H2Opl + N --> HNOpl + H        11.8444\n",
      "   6 │ OHpl + NO --> HNOpl + O         7.9586\n",
      "   7 │ HNOpl + N2 --> N2Hpl + NO       2.77169\n",
      "   8 │ N2Hpl + NO --> HNOpl + N2       1.56247\n",
      "   9 │ H2pl + NO --> HNOpl + H         1.04259\n",
      "  10 │ HOCpl + NO --> HNOpl + CO       0.387881\n",
      "  11 │ HNOpl + C --> CHpl + NO         0.264502\n",
      "  12 │ H3pl + NO --> HNOpl + H2        0.0290538\n",
      "  13 │ HDOpl + N --> HNOpl + D         0.00925532\n",
      "  14 │ HO2pl + NO --> HNOpl + O2       0.00903871\n",
      "  15 │ HNOpl + H2O --> H3Opl + NO      0.00158595\n",
      "  16 │ HNOpl + OH --> H2Opl + NO       0.00104962\n",
      "  17 │ NHpl + H2O --> HNOpl + H2       0.000844481\n",
      "\n",
      "For HO2: \n",
      "100% of reactions is 36/36\n",
      "The column rate of top 100.0% of reactions is 2.952165156889833e12\n",
      "Which equates to 100.0% of the total column rate (2.952165156889833e12).\n",
      "\n",
      "\u001b[1m36×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                             \u001b[0m\u001b[1m Value            \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                          \u001b[0m\u001b[90m Float64          \u001b[0m\n",
      "─────┼───────────────────────────────────────────────────\n",
      "   1 │ H + O2 --> HO2                        1.4822e12\n",
      "   2 │ HO2 + O --> O2 + OH                   1.34282e12\n",
      "   3 │ HO2 + H --> OH + OH                   4.35459e10\n",
      "   4 │ HO2 + OH --> H2O + O2                 3.06452e10\n",
      "   5 │ HO2 + HO2 --> H2O2 + O2               2.27018e10\n",
      "   6 │ HO2 --> OH + O                        1.83708e10\n",
      "   7 │ HOCO + O2 --> CO2 + HO2               5.84948e9\n",
      "   8 │ HO2 + H --> O2 + H2                   2.08658e9\n",
      "   9 │ OH + H2O2 --> H2O + HO2               1.09603e9\n",
      "  10 │ H2O2 --> HO2 + H                      1.07813e9\n",
      "  11 │ HO2 + H --> H2O + O1D                 9.67687e8\n",
      "  12 │ O3 + HO2 --> O2 + O2 + OH             3.59553e8\n",
      "  13 │ HO2 + HO2 + M --> H2O2 + O2 + M       2.81728e8\n",
      "  14 │ O3 + OH --> HO2 + O2                  6.05858e7\n",
      "  15 │ D + HO2 --> DO2 + H                   2.61155e7\n",
      "  16 │ HCO + O2 --> HO2 + CO                 2.22961e7\n",
      "  17 │ D + HO2 --> OH + OD                   1.33503e7\n",
      "  18 │ H2O2 + O --> HO2 + OH                 1.07641e7\n",
      "  19 │ O + H2O2 --> OH + HO2                 1.07641e7\n",
      "  20 │ OD + HO2 --> HDO + O2                 8.75583e6\n",
      "  21 │ DO2 + HO2 --> HDO2 + O2               6.28822e6\n",
      "  22 │ D + HO2 --> HD + O2                   6.397e5\n",
      "  23 │ D + HO2 --> HDO + O1D                 2.96673e5\n",
      "  24 │ OD + H2O2 --> HDO + HO2               2.88412e5\n",
      "  25 │ H + DO2 --> HO2 + D              228670.0\n",
      "  26 │ HO2 + N --> NO + OH              198821.0\n",
      "  27 │ HDO2 --> HO2 + D                      1.49586e5\n",
      "  28 │ OH + HDO2 --> HDO + HO2               1.48677e5\n",
      "  29 │ H + H2O2 --> HO2 + H2                 1.48487e5\n",
      "  30 │ H2O2 + H --> HO2 + H2                 1.47959e5\n",
      "  31 │ HO2 + DO2 + M --> HDO2 + O2 + M   81018.4\n",
      "  32 │ O + HDO2 --> OD + HO2              1482.19\n",
      "  33 │ HO2 + CO --> CO2 + OH                 9.29165e-7\n",
      "  34 │ HO2 + H2 --> H2O2 + H                 4.37853e-10\n",
      "  35 │ HO2 + H2O --> H2O2 + OH               8.88464e-16\n",
      "  36 │ O2 + H2 --> HO2 + H                   1.96851e-32\n",
      "\n",
      "For HO2pl: \n",
      "100% of reactions is 17/17\n",
      "The column rate of top 100.0% of reactions is 2778.4163087032566\n",
      "Which equates to 100.0% of the total column rate (2778.4163087032566).\n",
      "\n",
      "\u001b[1m17×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                         \u001b[0m\u001b[1m Value          \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                      \u001b[0m\u001b[90m Float64        \u001b[0m\n",
      "─────┼─────────────────────────────────────────────\n",
      "   1 │ H2pl + O2 --> HO2pl + H      1273.19\n",
      "   2 │ HO2pl + CO2 --> HCO2pl + O2  1006.02\n",
      "   3 │ HO2pl + O --> OHpl + O2       199.316\n",
      "   4 │ HO2pl + N2 --> N2Hpl + O2     102.169\n",
      "   5 │ HOCpl + O2 --> HO2pl + CO      85.6268\n",
      "   6 │ HO2pl + CO --> HCOpl + O2      57.169\n",
      "   7 │ HO2pl + E --> O2 + H           19.6742\n",
      "   8 │ ArHpl + O2 --> HO2pl + Ar      13.225\n",
      "   9 │ NHpl + O2 --> HO2pl + N         8.40559\n",
      "  10 │ H3pl + O2 --> HO2pl + H2        6.40355\n",
      "  11 │ HO2pl + H2 --> H3pl + O2        4.58091\n",
      "  12 │ O2pl + HCO --> HO2pl + CO       1.60158\n",
      "  13 │ HDpl + O2 --> HO2pl + D         0.89338\n",
      "  14 │ HO2pl + C --> CHpl + O2         0.124144\n",
      "  15 │ HO2pl + NO --> HNOpl + O2       0.00903871\n",
      "  16 │ HO2pl + OH --> H2Opl + O2       0.000476453\n",
      "  17 │ HO2pl + H2O --> H3Opl + O2      0.000217933\n",
      "\n",
      "For HOCO: \n",
      "100% of reactions is 4/4\n",
      "The column rate of top 100.0% of reactions is 1.1803441137026474e10\n",
      "Which equates to 100.0% of the total column rate (1.1803441137026474e10).\n",
      "\n",
      "\u001b[1m4×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                     \u001b[0m\u001b[1m Value       \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                  \u001b[0m\u001b[90m Float64     \u001b[0m\n",
      "─────┼──────────────────────────────────────\n",
      "   1 │ CO + OH --> HOCO           5.95397e9\n",
      "   2 │ HOCO + O2 --> CO2 + HO2    5.84948e9\n",
      "   3 │ HOCO + OH --> CO2 + H2O  553.155\n",
      "   4 │ HOCO + OD --> CO2 + HDO    0.17565\n",
      "\n",
      "For HOCpl: \n",
      "100% of reactions is 14/14\n",
      "The column rate of top 100.0% of reactions is 391997.8761246027\n",
      "Which equates to 100.0% of the total column rate (391997.8761246027).\n",
      "\n",
      "\u001b[1m14×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                         \u001b[0m\u001b[1m Value         \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                      \u001b[0m\u001b[90m Float64       \u001b[0m\n",
      "─────┼────────────────────────────────────────────\n",
      "   1 │ COpl + H2 --> HOCpl + H          1.94077e5\n",
      "   2 │ HOCpl + E --> OH + C             1.04869e5\n",
      "   3 │ HOCpl + CO2 --> HCO2pl + CO  86657.0\n",
      "   4 │ HOCpl + N2 --> N2Hpl + CO     3956.68\n",
      "   5 │ HOCpl + CO --> HCOpl + CO     1840.05\n",
      "   6 │ HOCpl + E --> CO + H           166.437\n",
      "   7 │ HOCpl + H2 --> HCOpl + H2      105.09\n",
      "   8 │ HOCpl + O2 --> HO2pl + CO       85.6268\n",
      "   9 │ H3pl + CO --> HOCpl + H2        78.6945\n",
      "  10 │ HOCpl + H2 --> H3pl + CO        74.116\n",
      "  11 │ COpl + HD --> HOCpl + D         57.3194\n",
      "  12 │ Cpl + H2O --> HOCpl + H         30.8976\n",
      "  13 │ HOCpl + NO --> HNOpl + CO        0.387881\n",
      "  14 │ Cpl + HDO --> HOCpl + D          0.0142392\n",
      "\n",
      "For Hpl: \n",
      "100% of reactions is 26/26\n",
      "The column rate of top 100.0% of reactions is 6.434514838648515e6\n",
      "Which equates to 100.0% of the total column rate (6.434514838648515e6).\n",
      "\n",
      "\u001b[1m26×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                     \u001b[0m\u001b[1m Value           \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                  \u001b[0m\u001b[90m Float64         \u001b[0m\n",
      "─────┼──────────────────────────────────────────\n",
      "   1 │ Hpl + CO2 --> HCOpl + O      3.17428e6\n",
      "   2 │ CO2pl + H --> Hpl + CO2      2.69285e6\n",
      "   3 │ Opl + H --> Hpl + O          2.97234e5\n",
      "   4 │ H --> Hpl                    1.49971e5\n",
      "   5 │ COpl + H --> Hpl + CO    43545.9\n",
      "   6 │ Hpl + O --> Opl + H      36879.9\n",
      "   7 │ H2 --> Hpl + H           31867.5\n",
      "   8 │ Hpl + O2 --> O2pl + H     4762.93\n",
      "   9 │ Hpl + H --> H + Hpl       2641.17\n",
      "  10 │ H2pl + H --> Hpl + H2      401.013\n",
      "  11 │ HD --> Hpl + D              45.3492\n",
      "  12 │ H2O --> Hpl + OH            17.0067\n",
      "  13 │ Hpl + NO --> NOpl + H        9.26618\n",
      "  14 │ Dpl + H2 --> Hpl + HD        4.46848\n",
      "  15 │ Dpl + H --> D + Hpl          1.19811\n",
      "  16 │ Hpl + H2O --> H2Opl + H      0.848848\n",
      "  17 │ Hpl + HD --> Dpl + H2        0.580254\n",
      "  18 │ Hpl + OH --> OHpl + H        0.425851\n",
      "  19 │ Hpl + E --> H                0.236417\n",
      "  20 │ HDO --> Hpl + OD             0.0319346\n",
      "  21 │ Hpl + HDO --> H2Opl + D      0.000702098\n",
      "  22 │ Hpl + HDO --> HDOpl + H      0.000702098\n",
      "  23 │ Hpl + HCO --> COpl + H2      6.24305e-5\n",
      "  24 │ Hpl + HCO --> H2pl + CO      6.24305e-5\n",
      "  25 │ Hpl + HCO --> HCOpl + H      6.24305e-5\n",
      "  26 │ Hpl + H --> H2pl             2.91294e-6\n",
      "\n",
      "For N2Hpl: \n",
      "100% of reactions is 26/26\n",
      "The column rate of top 100.0% of reactions is 713831.8974552002\n",
      "Which equates to 100.00000000000001% of the total column rate (713831.8974552002).\n",
      "\n",
      "\u001b[1m26×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                         \u001b[0m\u001b[1m Value          \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                      \u001b[0m\u001b[90m Float64        \u001b[0m\n",
      "─────┼─────────────────────────────────────────────\n",
      "   1 │ N2Hpl + CO2 --> HCO2pl + N2      3.07621e5\n",
      "   2 │ N2pl + H2 --> N2Hpl + H          2.96692e5\n",
      "   3 │ OHpl + N2 --> N2Hpl + O      34536.4\n",
      "   4 │ N2Hpl + CO --> HCOpl + N2    23901.6\n",
      "   5 │ H2pl + N2 --> N2Hpl + H      20752.5\n",
      "   6 │ N2Hpl + O --> OHpl + N2      20397.2\n",
      "   7 │ N2Hpl + E --> N2 + H          4470.32\n",
      "   8 │ HOCpl + N2 --> N2Hpl + CO     3956.68\n",
      "   9 │ NHpl + N2 --> N2Hpl + N        554.57\n",
      "  10 │ ArHpl + N2 --> N2Hpl + Ar      314.979\n",
      "  11 │ H3pl + N2 --> N2Hpl + H2       277.577\n",
      "  12 │ N2pl + HD --> N2Hpl + D        165.613\n",
      "  13 │ HO2pl + N2 --> N2Hpl + O2      102.169\n",
      "  14 │ N2Hpl + C --> CHpl + N2         64.4965\n",
      "  15 │ HDpl + N2 --> N2Hpl + D         14.2168\n",
      "  16 │ N2pl + H2O --> N2Hpl + OH        5.35431\n",
      "  17 │ HNOpl + N2 --> N2Hpl + NO        2.77169\n",
      "  18 │ N2Hpl + NO --> HNOpl + N2        1.56247\n",
      "  19 │ N2Hpl + H2O --> H3Opl + N2       0.368836\n",
      "  20 │ N2Hpl + D --> N2Dpl + H          0.249515\n",
      "  21 │ N2Hpl + OH --> H2Opl + N2        0.221286\n",
      "  22 │ N2Dpl + H --> N2Hpl + D          0.183649\n",
      "  23 │ NHpl + NO --> N2Hpl + O          0.0136811\n",
      "  24 │ N2pl + HDO --> N2Hpl + OD        0.00466346\n",
      "  25 │ N2pl + HCO --> N2Hpl + CO        0.00151356\n",
      "  26 │ N2Hpl + H2 --> H3pl + N2         3.62304e-5\n",
      "\n",
      "For NHpl: \n",
      "100% of reactions is 21/21\n",
      "The column rate of top 100.0% of reactions is 17562.652772940466\n",
      "Which equates to 100.0% of the total column rate (17562.652772940466).\n",
      "\n",
      "\u001b[1m21×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                       \u001b[0m\u001b[1m Value          \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                    \u001b[0m\u001b[90m Float64        \u001b[0m\n",
      "─────┼───────────────────────────────────────────\n",
      "   1 │ Npl + H2 --> NHpl + H      8746.9\n",
      "   2 │ NHpl + O --> OHpl + N      2489.04\n",
      "   3 │ NHpl + CO2 --> HCO2pl + N  1907.86\n",
      "   4 │ NHpl + CO2 --> HNOpl + CO  1907.86\n",
      "   5 │ NHpl + CO2 --> NOpl + HCO  1635.31\n",
      "   6 │ NHpl + N2 --> N2Hpl + N     554.57\n",
      "   7 │ NHpl + CO --> HCOpl + N     200.802\n",
      "   8 │ H2pl + N --> NHpl + H        50.1047\n",
      "   9 │ NHpl + H2 --> H3pl + N       23.5771\n",
      "  10 │ NHpl + E --> N + H           20.4365\n",
      "  11 │ NHpl + O2 --> NOpl + OH      10.507\n",
      "  12 │ NHpl + O2 --> HO2pl + N       8.40559\n",
      "  13 │ NHpl + N --> N2pl + H         3.1762\n",
      "  14 │ Npl + HD --> NHpl + D         2.30923\n",
      "  15 │ NHpl + C --> CHpl + N         1.62017\n",
      "  16 │ H3pl + N --> NHpl + H2        0.151493\n",
      "  17 │ NHpl + NO --> N2Hpl + O       0.0136811\n",
      "  18 │ NHpl + OH --> H2Opl + N       0.00606642\n",
      "  19 │ NHpl + H2O --> H3Opl + N      0.00253344\n",
      "  20 │ NHpl + H2O --> HNOpl + H2     0.000844481\n",
      "  21 │ Npl + HCO --> NHpl + CO       0.000199854\n",
      "\n",
      "For OH: \n",
      "100% of reactions is 111/111\n",
      "The column rate of top 100.0% of reactions is 3.134859593593384e12\n",
      "Which equates to 100.0% of the total column rate (3.134859593593384e12).\n",
      "\n",
      "\u001b[1m111×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                         \u001b[0m\u001b[1m Value            \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                      \u001b[0m\u001b[90m Float64          \u001b[0m\n",
      "─────┼───────────────────────────────────────────────\n",
      "   1 │ CO + OH --> CO2 + H               1.344e12\n",
      "   2 │ HO2 + O --> O2 + OH               1.34282e12\n",
      "   3 │ OH + O --> O2 + H                 2.05675e11\n",
      "   4 │ O3 + H --> O2 + OH                8.61523e10\n",
      "   5 │ HO2 + H --> OH + OH               4.35459e10\n",
      "   6 │ H2O --> H + OH                    3.24901e10\n",
      "   7 │ HO2 + OH --> H2O + O2             3.06452e10\n",
      "   8 │ H2O2 --> OH + OH                  2.01288e10\n",
      "   9 │ HO2 --> OH + O                    1.83708e10\n",
      "  10 │ CO + OH --> HOCO                  5.95397e9\n",
      "  11 │ O1D + H2O --> OH + OH             1.62693e9\n",
      "  12 │ OH + H2 --> H2O + H               1.61533e9\n",
      "  13 │ OH + H2O2 --> H2O + HO2           1.09603e9\n",
      "  14 │ O3 + HO2 --> O2 + O2 + OH         3.59553e8\n",
      "  15 │ O1D + H2 --> OH + H               1.32058e8\n",
      "  16 │ O3 + OH --> HO2 + O2              6.05858e7\n",
      "  17 │ OH + OH --> H2O + O               3.56231e7\n",
      "  18 │ OH + D --> OD + H                 2.00481e7\n",
      "  19 │ O + H --> OH                      1.91269e7\n",
      "  20 │ H2 + O --> OH + H                 1.87528e7\n",
      "  21 │ H + DO2 --> OH + OD               1.57421e7\n",
      "  22 │ D + HO2 --> OH + OD               1.33503e7\n",
      "  23 │ H2O2 + O --> HO2 + OH             1.07641e7\n",
      "  24 │ O + H2O2 --> OH + HO2             1.07641e7\n",
      "  25 │ OH + DO2 --> HDO + O2             8.90007e6\n",
      "  26 │ HDO --> D + OH                    8.49736e6\n",
      "  27 │ HDO2 --> OH + OD                  5.58897e6\n",
      "  28 │ OH + H + CO2 --> H2O + CO2        3.69939e6\n",
      "  29 │ HCO + O2 --> CO2 + OH             3.25867e6\n",
      "  30 │ O1D + HDO --> OD + OH             2.78704e6\n",
      "  31 │ HCO2pl + E --> CO + OH            2.11468e6\n",
      "  32 │ H + H2O2 --> H2O + OH             1.42154e6\n",
      "  33 │ H2O2 + H --> H2O + OH             1.42154e6\n",
      "  34 │ OH --> O + H                      1.39357e6\n",
      "  35 │ HCOpl + E --> OH + C              8.2702e5\n",
      "  36 │ OH + HD --> HDO + H               7.62911e5\n",
      "  37 │ HCO + O --> CO + OH               3.41079e5\n",
      "  38 │ OD + H --> OH + D                 3.14005e5\n",
      "  39 │ OH + HD --> H2O + D          300805.0\n",
      "  40 │ OH + OH --> H2O2                  3.00472e5\n",
      "  41 │ HO2 + N --> NO + OH          198821.0\n",
      "  42 │ OH + N --> NO + H                 1.59357e5\n",
      "  43 │ OH + HDO2 --> H2O + DO2           1.48677e5\n",
      "  44 │ OH + HDO2 --> HDO + HO2           1.48677e5\n",
      "  45 │ HOCpl + E --> OH + C              1.04869e5\n",
      "  46 │ O1D + HD --> D + OH           67540.7\n",
      "  47 │ H3Opl + E --> OH + H + H      37518.2\n",
      "  48 │ H2Opl + CO --> HCOpl + OH     29197.4\n",
      "  49 │ CO2pl + H2O --> HCO2pl + OH   23211.5\n",
      "  50 │ OD + OH --> HDO + O           12561.5\n",
      "  51 │ H3Opl + E --> OH + H2          8729.07\n",
      "  52 │ OHpl + O2 --> O2pl + OH        3422.46\n",
      "  53 │ OH + C --> CO + H              2821.32\n",
      "  54 │ HD + O --> OH + D              2753.05\n",
      "  55 │ H2Opl + E --> OH + H           1978.31\n",
      "  56 │ O + HDO2 --> OH + DO2          1482.19\n",
      "  57 │ D + OH + CO2 --> HDO + CO2     1173.31\n",
      "  58 │ HCOpl + OH --> HCO2pl + H       952.004\n",
      "  59 │ HCOpl + OH --> H2Opl + CO       588.811\n",
      "  60 │ HOCO + OH --> CO2 + H2O         553.155\n",
      "  61 │ HCO + OH --> H2O + CO           132.454\n",
      "  62 │ OD + OH --> HDO2                 86.8041\n",
      "  63 │ OH --> O1D + H                   52.9651\n",
      "  64 │ H2DOpl + E --> OH + D + H        39.719\n",
      "  65 │ D + H2O2 --> HDO + OH            37.4567\n",
      "  66 │ HDOpl + CO --> DCOpl + OH        37.1698\n",
      "  67 │ H2Opl + C --> CHpl + OH          34.7721\n",
      "  68 │ OH + H --> H2 + O                30.301\n",
      "  69 │ H + HDO2 --> HDO + OH            28.4459\n",
      "  70 │ COpl + H2O --> HCOpl + OH        27.489\n",
      "  71 │ Opl + OH --> O2pl + H            25.4526\n",
      "  72 │ Opl + OH --> OHpl + O            25.4526\n",
      "  73 │ H2O --> Hpl + OH                 17.0067\n",
      "  74 │ CO2pl + HDO --> DCO2pl + OH      10.975\n",
      "  75 │ OHpl + NO --> NOpl + OH          10.6158\n",
      "  76 │ NHpl + O2 --> NOpl + OH          10.507\n",
      "  77 │ H2DOpl + E --> OH + HD            9.2411\n",
      "  78 │ N2pl + OH --> OHpl + N2           8.05569\n",
      "  79 │ COpl + OH --> HCOpl + O           5.40559\n",
      "  80 │ COpl + OH --> OHpl + CO           5.40559\n",
      "  81 │ N2pl + H2O --> N2Hpl + OH         5.35431\n",
      "  82 │ Cpl + OH --> COpl + H             4.92356\n",
      "  83 │ HDOpl + E --> OH + D              3.43616\n",
      "  84 │ O2 + H --> OH + O                 0.825526\n",
      "  85 │ OHpl + OH --> H2Opl + O           0.651195\n",
      "  86 │ OHpl + H2O --> H2Opl + OH         0.606347\n",
      "  87 │ Npl + OH --> OHpl + N             0.518834\n",
      "  88 │ Hpl + OH --> OHpl + H             0.425851\n",
      "  89 │ H2Opl + H2O --> H3Opl + OH        0.347821\n",
      "  90 │ H2O + O --> OH + OH               0.347638\n",
      "  91 │ N2Hpl + OH --> H2Opl + N2         0.221286\n",
      "  92 │ DOCO + OH --> CO2 + HDO           0.168086\n",
      "  93 │ H2Opl + OH --> H3Opl + O          0.135253\n",
      "  94 │ H2pl + OH --> H2Opl + H           0.0485939\n",
      "  95 │ H2pl + OH --> OHpl + H2           0.0485939\n",
      "  96 │ HDO --> Dpl + OH                  0.0319346\n",
      "  97 │ DCO + OH --> HDO + CO             0.0310397\n",
      "  98 │ CHpl + OH --> COpl + H2           0.0291679\n",
      "  99 │ COpl + HDO --> DCOpl + OH         0.0251372\n",
      " 100 │ NHpl + OH --> H2Opl + N           0.00606642\n",
      " 101 │ N2pl + HDO --> N2Dpl + OH         0.00466346\n",
      " 102 │ H3pl + OH --> H2Opl + H2          0.00185583\n",
      " 103 │ HNOpl + OH --> H2Opl + NO         0.00104962\n",
      " 104 │ HO2pl + OH --> H2Opl + O2         0.000476453\n",
      " 105 │ OHpl + HCO --> HCOpl + OH         8.73569e-5\n",
      " 106 │ Arpl + H2O --> ArHpl + OH         3.61403e-5\n",
      " 107 │ H2O + H --> OH + H2               3.84817e-6\n",
      " 108 │ HO2 + CO --> CO2 + OH             9.29165e-7\n",
      " 109 │ CO2 + H --> CO + OH               1.06592e-7\n",
      " 110 │ HO2 + H2O --> H2O2 + OH           8.88464e-16\n",
      " 111 │ O2 + H2 --> OH + OH               1.21192e-19\n",
      "\n",
      "For OHpl: \n",
      "100% of reactions is 36/36\n",
      "The column rate of top 100.0% of reactions is 3.643380677306023e6\n",
      "Which equates to 100.00000000000001% of the total column rate (3.643380677306023e6).\n",
      "\n",
      "\u001b[1m36×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                       \u001b[0m\u001b[1m Value          \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                    \u001b[0m\u001b[90m Float64        \u001b[0m\n",
      "─────┼───────────────────────────────────────────\n",
      "   1 │ Opl + H2 --> OHpl + H          1.75584e6\n",
      "   2 │ OHpl + CO2 --> HCO2pl + O      1.42099e6\n",
      "   3 │ OHpl + O --> O2pl + H          2.76386e5\n",
      "   4 │ OHpl + CO --> HCOpl + O    64253.6\n",
      "   5 │ H2pl + O --> OHpl + H      40705.8\n",
      "   6 │ OHpl + N2 --> N2Hpl + O    34536.4\n",
      "   7 │ N2Hpl + O --> OHpl + N2    20397.2\n",
      "   8 │ OHpl + H2 --> H2Opl + H    18653.6\n",
      "   9 │ OHpl + O2 --> O2pl + OH     3422.46\n",
      "  10 │ OHpl + E --> O + H          2843.25\n",
      "  11 │ NHpl + O --> OHpl + N       2489.04\n",
      "  12 │ Opl + HD --> OHpl + D       1040.84\n",
      "  13 │ ArHpl + O --> OHpl + Ar      513.096\n",
      "  14 │ H3pl + O --> OHpl + H2       427.638\n",
      "  15 │ OHpl + N --> NOpl + H        337.164\n",
      "  16 │ HO2pl + O --> OHpl + O2      199.316\n",
      "  17 │ OHpl + C --> CHpl + O        186.522\n",
      "  18 │ H2O --> OHpl + H              31.6029\n",
      "  19 │ HDpl + O --> OHpl + D         25.759\n",
      "  20 │ Opl + OH --> OHpl + O         25.4526\n",
      "  21 │ OHpl + HD --> H2Opl + D       20.0046\n",
      "  22 │ OHpl + HD --> HDOpl + H       20.0046\n",
      "  23 │ OHpl + NO --> NOpl + OH       10.6158\n",
      "  24 │ N2pl + OH --> OHpl + N2        8.05569\n",
      "  25 │ OHpl + NO --> HNOpl + O        7.9586\n",
      "  26 │ COpl + OH --> OHpl + CO        5.40559\n",
      "  27 │ OHpl + OH --> H2Opl + O        0.651195\n",
      "  28 │ OHpl + H2O --> H2Opl + OH      0.606347\n",
      "  29 │ Npl + OH --> OHpl + N          0.518834\n",
      "  30 │ OHpl + H2O --> H3Opl + O       0.495756\n",
      "  31 │ Hpl + OH --> OHpl + H          0.425851\n",
      "  32 │ HDO --> OHpl + D               0.0586517\n",
      "  33 │ H2pl + OH --> OHpl + H2        0.0485939\n",
      "  34 │ Opl + HCO --> OHpl + CO        0.00870521\n",
      "  35 │ OHpl + HCO --> H2Opl + CO      8.73569e-5\n",
      "  36 │ OHpl + HCO --> HCOpl + OH      8.73569e-5\n",
      "\n"
     ]
    }
   ],
   "source": [
    "bigdf_Hrxns = DataFrame(Rxn=[], Value=[])\n",
    "\n",
    "# Retrieve 100% of reactions for all species\n",
    "for Hsp in H_bearing_species\n",
    "    # Get the basic df\n",
    "    println(\"For $(Hsp): \")\n",
    "    col_rate_df = get_column_rates_NEW(Hsp, ncur; which=\"all\", Tn=vardict[\"Tn_arr\"][2:end-1], Ti=vardict[\"Ti_arr\"][2:end-1], Te=vardict[\"Te_arr\"][2:end-1], \n",
    "                                   all_species=vardict[\"all_species\"], ion_species=vardict[\"ion_species\"], reaction_network=reaction_network,\n",
    "                                   num_layers, dz)\n",
    "    \n",
    "    thisdf = get_p_pct_of_column(col_rate_df, 1; Tn=vardict[\"Tn_arr\"][2:end-1], Ti=vardict[\"Ti_arr\"][2:end-1], Te=vardict[\"Te_arr\"][2:end-1], \n",
    "                                   all_species=vardict[\"all_species\"], ion_species=vardict[\"ion_species\"], reaction_network=reaction_network,\n",
    "                                   num_layers, dz)\n",
    "    bigdf_Hrxns = vcat(bigdf_Hrxns, thisdf)\n",
    "    println()\n",
    "end"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "a4ab0a77-2624-4c03-8baf-799e6b89da2e",
   "metadata": {},
   "source": [
    "# Figure out which reactions need deuterated analogue by collecting reactions sufficient to comprise 99% of this total column rate"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "f65bdeaf-beb7-4724-94b6-acb8a26ebe00",
   "metadata": {},
   "source": [
    "## Take H-bearing rxn dataframe, filter out duplicates, and sort it by column value"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 114,
   "id": "69776e94-bc7f-4768-9c23-a0b96f9c5ee2",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div class=\"data-frame\"><p>437 rows × 2 columns</p><table class=\"data-frame\"><thead><tr><th></th><th>Rxn</th><th>Value</th></tr><tr><th></th><th title=\"Any\">Any</th><th title=\"Any\">Any</th></tr></thead><tbody><tr><th>1</th><td>H + O2 --&gt; HO2</td><td>1.4822e12</td></tr><tr><th>2</th><td>CO + OH --&gt; CO2 + H</td><td>1.344e12</td></tr><tr><th>3</th><td>HO2 + O --&gt; O2 + OH</td><td>1.34282e12</td></tr><tr><th>4</th><td>OH + O --&gt; O2 + H</td><td>2.05675e11</td></tr><tr><th>5</th><td>O3 + H --&gt; O2 + OH</td><td>8.61523e10</td></tr><tr><th>6</th><td>HO2 + H --&gt; OH + OH</td><td>4.35459e10</td></tr><tr><th>7</th><td>H2O --&gt; H + OH</td><td>3.24901e10</td></tr><tr><th>8</th><td>HO2 + OH --&gt; H2O + O2</td><td>3.06452e10</td></tr><tr><th>9</th><td>HO2 + HO2 --&gt; H2O2 + O2</td><td>2.27018e10</td></tr><tr><th>10</th><td>H2O2 --&gt; OH + OH</td><td>2.01288e10</td></tr><tr><th>11</th><td>HO2 --&gt; OH + O</td><td>1.83708e10</td></tr><tr><th>12</th><td>CO + OH --&gt; HOCO</td><td>5.95397e9</td></tr><tr><th>13</th><td>HOCO + O2 --&gt; CO2 + HO2</td><td>5.84948e9</td></tr><tr><th>14</th><td>HO2 + H --&gt; O2 + H2</td><td>2.08658e9</td></tr><tr><th>15</th><td>O1D + H2O --&gt; OH + OH</td><td>1.62693e9</td></tr><tr><th>16</th><td>OH + H2 --&gt; H2O + H</td><td>1.61533e9</td></tr><tr><th>17</th><td>OH + H2O2 --&gt; H2O + HO2</td><td>1.09603e9</td></tr><tr><th>18</th><td>H2O2 --&gt; HO2 + H</td><td>1.07813e9</td></tr><tr><th>19</th><td>HO2 + H --&gt; H2O + O1D</td><td>9.67687e8</td></tr><tr><th>20</th><td>O3 + HO2 --&gt; O2 + O2 + OH</td><td>3.59553e8</td></tr><tr><th>21</th><td>HO2 + HO2 + M --&gt; H2O2 + O2 + M</td><td>2.81728e8</td></tr><tr><th>22</th><td>HCOpl + E --&gt; CO + H</td><td>1.42594e8</td></tr><tr><th>23</th><td>O1D + H2 --&gt; OH + H</td><td>1.32058e8</td></tr><tr><th>24</th><td>CO2pl + H2 --&gt; HCO2pl + H</td><td>1.27302e8</td></tr><tr><th>25</th><td>HCO2pl + O --&gt; HCOpl + O2</td><td>6.29888e7</td></tr><tr><th>26</th><td>O3 + OH --&gt; HO2 + O2</td><td>6.05858e7</td></tr><tr><th>27</th><td>HCO2pl + CO --&gt; HCOpl + CO2</td><td>5.90042e7</td></tr><tr><th>28</th><td>OH + OH --&gt; H2O + O</td><td>3.56231e7</td></tr><tr><th>29</th><td>CO + H --&gt; HCO</td><td>2.61704e7</td></tr><tr><th>30</th><td>D + HO2 --&gt; DO2 + H</td><td>2.61155e7</td></tr><tr><th>&vellip;</th><td>&vellip;</td><td>&vellip;</td></tr></tbody></table></div>"
      ],
      "text/latex": [
       "\\begin{tabular}{r|cc}\n",
       "\t& Rxn & Value\\\\\n",
       "\t\\hline\n",
       "\t& Any & Any\\\\\n",
       "\t\\hline\n",
       "\t1 & H + O2 --> HO2 & 1.4822e12 \\\\\n",
       "\t2 & CO + OH --> CO2 + H & 1.344e12 \\\\\n",
       "\t3 & HO2 + O --> O2 + OH & 1.34282e12 \\\\\n",
       "\t4 & OH + O --> O2 + H & 2.05675e11 \\\\\n",
       "\t5 & O3 + H --> O2 + OH & 8.61523e10 \\\\\n",
       "\t6 & HO2 + H --> OH + OH & 4.35459e10 \\\\\n",
       "\t7 & H2O --> H + OH & 3.24901e10 \\\\\n",
       "\t8 & HO2 + OH --> H2O + O2 & 3.06452e10 \\\\\n",
       "\t9 & HO2 + HO2 --> H2O2 + O2 & 2.27018e10 \\\\\n",
       "\t10 & H2O2 --> OH + OH & 2.01288e10 \\\\\n",
       "\t11 & HO2 --> OH + O & 1.83708e10 \\\\\n",
       "\t12 & CO + OH --> HOCO & 5.95397e9 \\\\\n",
       "\t13 & HOCO + O2 --> CO2 + HO2 & 5.84948e9 \\\\\n",
       "\t14 & HO2 + H --> O2 + H2 & 2.08658e9 \\\\\n",
       "\t15 & O1D + H2O --> OH + OH & 1.62693e9 \\\\\n",
       "\t16 & OH + H2 --> H2O + H & 1.61533e9 \\\\\n",
       "\t17 & OH + H2O2 --> H2O + HO2 & 1.09603e9 \\\\\n",
       "\t18 & H2O2 --> HO2 + H & 1.07813e9 \\\\\n",
       "\t19 & HO2 + H --> H2O + O1D & 9.67687e8 \\\\\n",
       "\t20 & O3 + HO2 --> O2 + O2 + OH & 3.59553e8 \\\\\n",
       "\t21 & HO2 + HO2 + M --> H2O2 + O2 + M & 2.81728e8 \\\\\n",
       "\t22 & HCOpl + E --> CO + H & 1.42594e8 \\\\\n",
       "\t23 & O1D + H2 --> OH + H & 1.32058e8 \\\\\n",
       "\t24 & CO2pl + H2 --> HCO2pl + H & 1.27302e8 \\\\\n",
       "\t25 & HCO2pl + O --> HCOpl + O2 & 6.29888e7 \\\\\n",
       "\t26 & O3 + OH --> HO2 + O2 & 6.05858e7 \\\\\n",
       "\t27 & HCO2pl + CO --> HCOpl + CO2 & 5.90042e7 \\\\\n",
       "\t28 & OH + OH --> H2O + O & 3.56231e7 \\\\\n",
       "\t29 & CO + H --> HCO & 2.61704e7 \\\\\n",
       "\t30 & D + HO2 --> DO2 + H & 2.61155e7 \\\\\n",
       "\t$\\dots$ & $\\dots$ & $\\dots$ \\\\\n",
       "\\end{tabular}\n"
      ],
      "text/plain": [
       "\u001b[1m437×2 DataFrame\u001b[0m\n",
       "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                        \u001b[0m\u001b[1m Value       \u001b[0m\n",
       "\u001b[1m     \u001b[0m│\u001b[90m Any                        \u001b[0m\u001b[90m Any         \u001b[0m\n",
       "─────┼─────────────────────────────────────────\n",
       "   1 │ H + O2 --> HO2              1.4822e12\n",
       "   2 │ CO + OH --> CO2 + H         1.344e12\n",
       "   3 │ HO2 + O --> O2 + OH         1.34282e12\n",
       "   4 │ OH + O --> O2 + H           2.05675e11\n",
       "   5 │ O3 + H --> O2 + OH          8.61523e10\n",
       "   6 │ HO2 + H --> OH + OH         4.35459e10\n",
       "   7 │ H2O --> H + OH              3.24901e10\n",
       "   8 │ HO2 + OH --> H2O + O2       3.06452e10\n",
       "   9 │ HO2 + HO2 --> H2O2 + O2     2.27018e10\n",
       "  10 │ H2O2 --> OH + OH            2.01288e10\n",
       "  11 │ HO2 --> OH + O              1.83708e10\n",
       "  ⋮  │             ⋮                    ⋮\n",
       " 428 │ HO2 + CO --> CO2 + OH       9.29165e-7\n",
       " 429 │ CO2 + H --> CO + OH         1.06592e-7\n",
       " 430 │ HO2 + H2 --> H2O2 + H       4.37853e-10\n",
       " 431 │ HO2 + H2O --> H2O2 + OH     8.88464e-16\n",
       " 432 │ O2 + H2 --> OH + OH         1.21192e-19\n",
       " 433 │ O2 + H2 --> HO2 + H         1.96851e-32\n",
       " 434 │ H2O --> H + H + O           0.0\n",
       " 435 │ HDO --> H + D + O           0.0\n",
       " 436 │ H2O2 --> H2O + O1D          0.0\n",
       " 437 │ HDO2 --> HDO + O1D          0.0\n",
       "\u001b[36m                               416 rows omitted\u001b[0m"
      ]
     },
     "execution_count": 114,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "bigdf_Hrxns_sorted_uniques = unique(sort(bigdf_Hrxns, [:Value], rev=true))"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "8d22d358-0d02-45be-b964-4f8abf656996",
   "metadata": {},
   "source": [
    "## Filter out any reactions that already are deuterated"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 115,
   "id": "387c145e-3e24-4410-8671-f7d7844a4182",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div class=\"data-frame\"><p>282 rows × 2 columns</p><table class=\"data-frame\"><thead><tr><th></th><th>Rxn</th><th>Value</th></tr><tr><th></th><th title=\"Any\">Any</th><th title=\"Any\">Any</th></tr></thead><tbody><tr><th>1</th><td>H + O2 --&gt; HO2</td><td>1.4822e12</td></tr><tr><th>2</th><td>CO + OH --&gt; CO2 + H</td><td>1.344e12</td></tr><tr><th>3</th><td>HO2 + O --&gt; O2 + OH</td><td>1.34282e12</td></tr><tr><th>4</th><td>OH + O --&gt; O2 + H</td><td>2.05675e11</td></tr><tr><th>5</th><td>O3 + H --&gt; O2 + OH</td><td>8.61523e10</td></tr><tr><th>6</th><td>HO2 + H --&gt; OH + OH</td><td>4.35459e10</td></tr><tr><th>7</th><td>H2O --&gt; H + OH</td><td>3.24901e10</td></tr><tr><th>8</th><td>HO2 + OH --&gt; H2O + O2</td><td>3.06452e10</td></tr><tr><th>9</th><td>HO2 + HO2 --&gt; H2O2 + O2</td><td>2.27018e10</td></tr><tr><th>10</th><td>H2O2 --&gt; OH + OH</td><td>2.01288e10</td></tr><tr><th>11</th><td>HO2 --&gt; OH + O</td><td>1.83708e10</td></tr><tr><th>12</th><td>CO + OH --&gt; HOCO</td><td>5.95397e9</td></tr><tr><th>13</th><td>HOCO + O2 --&gt; CO2 + HO2</td><td>5.84948e9</td></tr><tr><th>14</th><td>HO2 + H --&gt; O2 + H2</td><td>2.08658e9</td></tr><tr><th>15</th><td>O1D + H2O --&gt; OH + OH</td><td>1.62693e9</td></tr><tr><th>16</th><td>OH + H2 --&gt; H2O + H</td><td>1.61533e9</td></tr><tr><th>17</th><td>OH + H2O2 --&gt; H2O + HO2</td><td>1.09603e9</td></tr><tr><th>18</th><td>H2O2 --&gt; HO2 + H</td><td>1.07813e9</td></tr><tr><th>19</th><td>HO2 + H --&gt; H2O + O1D</td><td>9.67687e8</td></tr><tr><th>20</th><td>O3 + HO2 --&gt; O2 + O2 + OH</td><td>3.59553e8</td></tr><tr><th>21</th><td>HO2 + HO2 + M --&gt; H2O2 + O2 + M</td><td>2.81728e8</td></tr><tr><th>22</th><td>HCOpl + E --&gt; CO + H</td><td>1.42594e8</td></tr><tr><th>23</th><td>O1D + H2 --&gt; OH + H</td><td>1.32058e8</td></tr><tr><th>24</th><td>CO2pl + H2 --&gt; HCO2pl + H</td><td>1.27302e8</td></tr><tr><th>25</th><td>HCO2pl + O --&gt; HCOpl + O2</td><td>6.29888e7</td></tr><tr><th>26</th><td>O3 + OH --&gt; HO2 + O2</td><td>6.05858e7</td></tr><tr><th>27</th><td>HCO2pl + CO --&gt; HCOpl + CO2</td><td>5.90042e7</td></tr><tr><th>28</th><td>OH + OH --&gt; H2O + O</td><td>3.56231e7</td></tr><tr><th>29</th><td>CO + H --&gt; HCO</td><td>2.61704e7</td></tr><tr><th>30</th><td>HCO + O2 --&gt; HO2 + CO</td><td>2.22961e7</td></tr><tr><th>&vellip;</th><td>&vellip;</td><td>&vellip;</td></tr></tbody></table></div>"
      ],
      "text/latex": [
       "\\begin{tabular}{r|cc}\n",
       "\t& Rxn & Value\\\\\n",
       "\t\\hline\n",
       "\t& Any & Any\\\\\n",
       "\t\\hline\n",
       "\t1 & H + O2 --> HO2 & 1.4822e12 \\\\\n",
       "\t2 & CO + OH --> CO2 + H & 1.344e12 \\\\\n",
       "\t3 & HO2 + O --> O2 + OH & 1.34282e12 \\\\\n",
       "\t4 & OH + O --> O2 + H & 2.05675e11 \\\\\n",
       "\t5 & O3 + H --> O2 + OH & 8.61523e10 \\\\\n",
       "\t6 & HO2 + H --> OH + OH & 4.35459e10 \\\\\n",
       "\t7 & H2O --> H + OH & 3.24901e10 \\\\\n",
       "\t8 & HO2 + OH --> H2O + O2 & 3.06452e10 \\\\\n",
       "\t9 & HO2 + HO2 --> H2O2 + O2 & 2.27018e10 \\\\\n",
       "\t10 & H2O2 --> OH + OH & 2.01288e10 \\\\\n",
       "\t11 & HO2 --> OH + O & 1.83708e10 \\\\\n",
       "\t12 & CO + OH --> HOCO & 5.95397e9 \\\\\n",
       "\t13 & HOCO + O2 --> CO2 + HO2 & 5.84948e9 \\\\\n",
       "\t14 & HO2 + H --> O2 + H2 & 2.08658e9 \\\\\n",
       "\t15 & O1D + H2O --> OH + OH & 1.62693e9 \\\\\n",
       "\t16 & OH + H2 --> H2O + H & 1.61533e9 \\\\\n",
       "\t17 & OH + H2O2 --> H2O + HO2 & 1.09603e9 \\\\\n",
       "\t18 & H2O2 --> HO2 + H & 1.07813e9 \\\\\n",
       "\t19 & HO2 + H --> H2O + O1D & 9.67687e8 \\\\\n",
       "\t20 & O3 + HO2 --> O2 + O2 + OH & 3.59553e8 \\\\\n",
       "\t21 & HO2 + HO2 + M --> H2O2 + O2 + M & 2.81728e8 \\\\\n",
       "\t22 & HCOpl + E --> CO + H & 1.42594e8 \\\\\n",
       "\t23 & O1D + H2 --> OH + H & 1.32058e8 \\\\\n",
       "\t24 & CO2pl + H2 --> HCO2pl + H & 1.27302e8 \\\\\n",
       "\t25 & HCO2pl + O --> HCOpl + O2 & 6.29888e7 \\\\\n",
       "\t26 & O3 + OH --> HO2 + O2 & 6.05858e7 \\\\\n",
       "\t27 & HCO2pl + CO --> HCOpl + CO2 & 5.90042e7 \\\\\n",
       "\t28 & OH + OH --> H2O + O & 3.56231e7 \\\\\n",
       "\t29 & CO + H --> HCO & 2.61704e7 \\\\\n",
       "\t30 & HCO + O2 --> HO2 + CO & 2.22961e7 \\\\\n",
       "\t$\\dots$ & $\\dots$ & $\\dots$ \\\\\n",
       "\\end{tabular}\n"
      ],
      "text/plain": [
       "\u001b[1m282×2 DataFrame\u001b[0m\n",
       "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                         \u001b[0m\u001b[1m Value       \u001b[0m\n",
       "\u001b[1m     \u001b[0m│\u001b[90m Any                         \u001b[0m\u001b[90m Any         \u001b[0m\n",
       "─────┼──────────────────────────────────────────\n",
       "   1 │ H + O2 --> HO2               1.4822e12\n",
       "   2 │ CO + OH --> CO2 + H          1.344e12\n",
       "   3 │ HO2 + O --> O2 + OH          1.34282e12\n",
       "   4 │ OH + O --> O2 + H            2.05675e11\n",
       "   5 │ O3 + H --> O2 + OH           8.61523e10\n",
       "   6 │ HO2 + H --> OH + OH          4.35459e10\n",
       "   7 │ H2O --> H + OH               3.24901e10\n",
       "   8 │ HO2 + OH --> H2O + O2        3.06452e10\n",
       "   9 │ HO2 + HO2 --> H2O2 + O2      2.27018e10\n",
       "  10 │ H2O2 --> OH + OH             2.01288e10\n",
       "  11 │ HO2 --> OH + O               1.83708e10\n",
       "  ⋮  │              ⋮                    ⋮\n",
       " 273 │ Hpl + H --> H2pl             2.91294e-6\n",
       " 274 │ HCO + HCO --> CO + CO + H2   1.14913e-6\n",
       " 275 │ HO2 + CO --> CO2 + OH        9.29165e-7\n",
       " 276 │ CO2 + H --> CO + OH          1.06592e-7\n",
       " 277 │ HO2 + H2 --> H2O2 + H        4.37853e-10\n",
       " 278 │ HO2 + H2O --> H2O2 + OH      8.88464e-16\n",
       " 279 │ O2 + H2 --> OH + OH          1.21192e-19\n",
       " 280 │ O2 + H2 --> HO2 + H          1.96851e-32\n",
       " 281 │ H2O --> H + H + O            0.0\n",
       " 282 │ H2O2 --> H2O + O1D           0.0\n",
       "\u001b[36m                                261 rows omitted\u001b[0m"
      ]
     },
     "execution_count": 115,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "# This is what we will filter out:\n",
    "# blah = filter(row->any(x->occursin(x, row.\"Rxn\"), [r\"^D \", \" D\", \"DO2\", \"HD\", \"DCO\", \"Dpl\", \"H2D\", \"OD\"]), bigdf_sorted_uniques)\n",
    "# for row in eachrow(blah)\n",
    "#     println(row.\"Rxn\")\n",
    "# end\n",
    "# println(nrow(blah))\n",
    "\n",
    "deuteration_candidates = filter(row->!any(x->occursin(x, row.\"Rxn\"), [r\"^D \", \" D\", \"DO2\", \"HD\", \"DCO\", \"Dpl\", \"H2D\", \"OD\"]), bigdf_Hrxns_sorted_uniques)\n",
    "\n",
    "# for row in eachrow(needs_d_analogue)\n",
    "#     println(row.\"Rxn\")\n",
    "# end"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "8503bf8b-6766-4e0a-9fa4-01330c787d8d",
   "metadata": {},
   "source": [
    "## Retrieve only the reactions which comprise top 99.99% of the column rate"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 116,
   "id": "45326135-3fc3-4772-970f-ad0a0bd54341",
   "metadata": {
    "scrolled": true,
    "tags": []
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "282 is 100.0%\n",
      "281 is 100.0%\n",
      "280 is 100.0%\n",
      "279 is 100.0%\n",
      "278 is 100.0%\n",
      "277 is 100.0%\n",
      "276 is 100.0%\n",
      "275 is 100.0%\n",
      "274 is 100.0%\n",
      "273 is 100.0%\n",
      "272 is 100.0%\n",
      "271 is 100.0%\n",
      "270 is 100.0%\n",
      "269 is 100.0%\n",
      "268 is 100.0%\n",
      "267 is 100.0%\n",
      "266 is 100.0%\n",
      "265 is 100.0%\n",
      "264 is 100.0%\n",
      "263 is 100.0%\n",
      "262 is 100.0%\n",
      "261 is 100.0%\n",
      "260 is 100.0%\n",
      "259 is 100.0%\n",
      "258 is 100.0%\n",
      "257 is 100.0%\n",
      "256 is 100.0%\n",
      "255 is 100.0%\n",
      "254 is 99.99999999999997%\n",
      "253 is 99.99999999999996%\n",
      "252 is 99.99999999999993%\n",
      "251 is 99.99999999999991%\n",
      "250 is 99.9999999999999%\n",
      "249 is 99.99999999999986%\n",
      "248 is 99.99999999999982%\n",
      "247 is 99.99999999999977%\n",
      "246 is 99.99999999999972%\n",
      "245 is 99.99999999999967%\n",
      "244 is 99.9999999999996%\n",
      "243 is 99.99999999999952%\n",
      "242 is 99.99999999999939%\n",
      "241 is 99.9999999999992%\n",
      "240 is 99.999999999999%\n",
      "239 is 99.99999999999882%\n",
      "238 is 99.99999999999854%\n",
      "237 is 99.9999999999979%\n",
      "236 is 99.99999999999727%\n",
      "235 is 99.99999999999662%\n",
      "234 is 99.99999999999592%\n",
      "233 is 99.99999999999487%\n",
      "232 is 99.99999999999383%\n",
      "231 is 99.99999999999262%\n",
      "230 is 99.99999999999065%\n",
      "229 is 99.99999999998843%\n",
      "228 is 99.99999999998576%\n",
      "227 is 99.99999999998288%\n",
      "226 is 99.99999999997974%\n",
      "225 is 99.99999999997648%\n",
      "224 is 99.9999999999717%\n",
      "223 is 99.99999999996663%\n",
      "222 is 99.99999999996095%\n",
      "221 is 99.99999999995437%\n",
      "220 is 99.99999999994733%\n",
      "219 is 99.99999999993986%\n",
      "218 is 99.99999999993238%\n",
      "217 is 99.99999999992446%\n",
      "216 is 99.99999999991611%\n",
      "215 is 99.99999999990695%\n",
      "214 is 99.99999999989633%\n",
      "213 is 99.99999999988566%\n",
      "212 is 99.99999999987452%\n",
      "211 is 99.99999999986147%\n",
      "210 is 99.99999999984746%\n",
      "209 is 99.99999999982971%\n",
      "208 is 99.99999999981148%\n",
      "207 is 99.99999999978904%\n",
      "206 is 99.99999999976662%\n",
      "205 is 99.999999999733%\n",
      "204 is 99.9999999996989%\n",
      "203 is 99.99999999966447%\n",
      "202 is 99.99999999963003%\n",
      "201 is 99.99999999959519%\n",
      "200 is 99.99999999954423%\n",
      "199 is 99.99999999949013%\n",
      "198 is 99.99999999943226%\n",
      "197 is 99.99999999937266%\n",
      "196 is 99.999999999309%\n",
      "195 is 99.99999999924071%\n",
      "194 is 99.99999999916689%\n",
      "193 is 99.99999999908988%\n",
      "192 is 99.99999999899629%\n",
      "191 is 99.99999999890132%\n",
      "190 is 99.99999999880299%\n",
      "189 is 99.99999999870448%\n",
      "188 is 99.99999999859861%\n",
      "187 is 99.99999999848347%\n",
      "186 is 99.99999999836724%\n",
      "185 is 99.99999999825101%\n",
      "184 is 99.99999999811331%\n",
      "183 is 99.99999999794217%\n",
      "182 is 99.99999999776894%\n",
      "181 is 99.9999999975882%\n",
      "180 is 99.99999999740056%\n",
      "179 is 99.9999999972013%\n",
      "178 is 99.99999999697538%\n",
      "177 is 99.99999999674709%\n",
      "176 is 99.99999999649239%\n",
      "175 is 99.99999999620802%\n",
      "174 is 99.9999999958837%\n",
      "173 is 99.999999995518%\n",
      "172 is 99.99999999509495%\n",
      "171 is 99.99999999466091%\n",
      "170 is 99.99999999422145%\n",
      "169 is 99.99999999377091%\n",
      "168 is 99.99999999326393%\n",
      "167 is 99.99999999271662%\n",
      "166 is 99.99999999216932%\n",
      "165 is 99.99999999161199%\n",
      "164 is 99.99999999102089%\n",
      "163 is 99.99999999036932%\n",
      "162 is 99.99999998970492%\n",
      "161 is 99.99999998902535%\n",
      "160 is 99.99999998831343%\n",
      "159 is 99.99999998756572%\n",
      "158 is 99.9999999866427%\n",
      "157 is 99.9999999855653%\n",
      "156 is 99.99999998446752%\n",
      "155 is 99.9999999833286%\n",
      "154 is 99.99999998209927%\n",
      "153 is 99.99999998071239%\n",
      "152 is 99.99999997911864%\n",
      "151 is 99.99999997742646%\n",
      "150 is 99.99999997558518%\n",
      "149 is 99.99999997359697%\n",
      "148 is 99.9999999714%\n",
      "147 is 99.9999999691402%\n",
      "146 is 99.99999996661653%\n",
      "145 is 99.99999996388289%\n",
      "144 is 99.99999996103469%\n",
      "143 is 99.99999995753693%\n",
      "142 is 99.99999995395797%\n",
      "141 is 99.99999995000951%\n",
      "140 is 99.99999994599865%\n",
      "139 is 99.99999994177924%\n",
      "138 is 99.99999993749327%\n",
      "137 is 99.99999993317536%\n",
      "136 is 99.99999992755525%\n",
      "135 is 99.99999992158641%\n",
      "134 is 99.99999991532965%\n",
      "133 is 99.99999990855656%\n",
      "132 is 99.99999990130641%\n",
      "131 is 99.9999998926833%\n",
      "130 is 99.99999988348766%\n",
      "129 is 99.99999987416845%\n",
      "128 is 99.99999986313516%\n",
      "127 is 99.99999985197009%\n",
      "126 is 99.99999984007539%\n",
      "125 is 99.9999998281503%\n",
      "124 is 99.99999981548888%\n",
      "123 is 99.99999979924664%\n",
      "122 is 99.9999997821387%\n",
      "121 is 99.99999976466778%\n",
      "120 is 99.99999974550288%\n",
      "119 is 99.9999997250316%\n",
      "118 is 99.99999970339873%\n",
      "117 is 99.9999996760208%\n",
      "116 is 99.99999964085615%\n",
      "115 is 99.99999960350246%\n",
      "114 is 99.99999956572252%\n",
      "113 is 99.9999995261553%\n",
      "112 is 99.99999948512988%\n",
      "111 is 99.99999944410443%\n",
      "110 is 99.99999940156414%\n",
      "109 is 99.99999935041664%\n",
      "108 is 99.99999929689398%\n",
      "107 is 99.9999992401%\n",
      "106 is 99.99999918154604%\n",
      "105 is 99.99999912087823%\n",
      "104 is 99.99999905973883%\n",
      "103 is 99.99999898614442%\n",
      "102 is 99.99999890978117%\n",
      "101 is 99.99999882630382%\n",
      "100 is 99.99999874122197%\n",
      "99 is 99.999998646793%\n",
      "98 is 99.99999855066609%\n",
      "97 is 99.99999844824724%\n",
      "96 is 99.99999834098897%\n",
      "95 is 99.99999822241917%\n",
      "94 is 99.99999807522822%\n",
      "93 is 99.99999792423199%\n",
      "92 is 99.99999773652782%\n",
      "91 is 99.9999975484402%\n",
      "90 is 99.99999726413219%\n",
      "89 is 99.99999696135897%\n",
      "88 is 99.99999662565727%\n",
      "87 is 99.9999962817855%\n",
      "86 is 99.99999588067155%\n",
      "85 is 99.99999544206398%\n",
      "84 is 99.99999499581658%\n",
      "83 is 99.99999449669133%\n",
      "82 is 99.99999398272658%\n",
      "81 is 99.99999335488523%\n",
      "80 is 99.99999267662282%\n",
      "79 is 99.99999199136475%\n",
      "78 is 99.9999912487154%\n",
      "77 is 99.99999045567395%\n",
      "76 is 99.99998964890699%\n",
      "75 is 99.9999887735962%\n",
      "74 is 99.99998783721348%\n",
      "73 is 99.999986531774%\n",
      "72 is 99.99998515010682%\n",
      "71 is 99.9999834818588%\n",
      "70 is 99.99998161844175%\n",
      "69 is 99.9999793634129%\n",
      "68 is 99.99997618180493%\n",
      "67 is 99.99997298883407%\n",
      "66 is 99.99996976396486%\n",
      "65 is 99.99996651642172%\n",
      "64 is 99.99996308972095%\n",
      "63 is 99.99995904773819%\n",
      "62 is 99.99995487443638%\n",
      "61 is 99.99995070113457%\n",
      "60 is 99.99994649227364%\n",
      "59 is 99.9999422169547%\n",
      "58 is 99.99993656848348%\n",
      "57 is 99.99993081389277%\n",
      "56 is 99.9999248706583%\n",
      "55 is 99.99991870332897%\n",
      "54 is 99.9999123234662%\n",
      "53 is 99.99990593194835%\n",
      "52 is 99.99989947078679%\n",
      "51 is 99.99989285589737%\n",
      "50 is 99.99988552156125%\n",
      "49 is 99.99987818722514%\n",
      "48 is 99.99986976633683%\n",
      "47 is 99.99985198263236%\n",
      "46 is 99.99982201626098%\n",
      "45 is 99.99979146018218%\n",
      "44 is 99.99976089227182%\n",
      "43 is 99.99973032436147%\n",
      "42 is 99.99969256793058%\n",
      "41 is 99.99964709513374%\n",
      "40 is 99.9995891898262%\n",
      "39 is 99.99952093210898%\n",
      "38 is 99.99945085985193%\n",
      "37 is 99.99937131048344%\n",
      "36 is 99.99927118765159%\n",
      "35 is 99.9991566635707%\n",
      "34 is 99.99892519972772%\n",
      "33 is 99.99869373588474%\n",
      "32 is 99.99829048877562%\n",
      "31 is 99.99787919626678%\n",
      "30 is 99.99740799575328%\n",
      "29 is 99.99692855399452%\n",
      "28 is 99.99636580342717%\n",
      "27 is 99.99559978767925%\n",
      "26 is 99.99433099871605%\n",
      "25 is 99.9930282002404%\n",
      "24 is 99.99167373081706%\n",
      "23 is 99.98893630967612%\n",
      "23 reactions needed to make up 99.99% of col rate\n"
     ]
    },
    {
     "data": {
      "text/html": [
       "<div class=\"data-frame\"><p>23 rows × 2 columns</p><table class=\"data-frame\"><thead><tr><th></th><th>Rxn</th><th>Value</th></tr><tr><th></th><th title=\"Any\">Any</th><th title=\"Any\">Any</th></tr></thead><tbody><tr><th>1</th><td>H + O2 --&gt; HO2</td><td>1.4822e12</td></tr><tr><th>2</th><td>CO + OH --&gt; CO2 + H</td><td>1.344e12</td></tr><tr><th>3</th><td>HO2 + O --&gt; O2 + OH</td><td>1.34282e12</td></tr><tr><th>4</th><td>OH + O --&gt; O2 + H</td><td>2.05675e11</td></tr><tr><th>5</th><td>O3 + H --&gt; O2 + OH</td><td>8.61523e10</td></tr><tr><th>6</th><td>HO2 + H --&gt; OH + OH</td><td>4.35459e10</td></tr><tr><th>7</th><td>H2O --&gt; H + OH</td><td>3.24901e10</td></tr><tr><th>8</th><td>HO2 + OH --&gt; H2O + O2</td><td>3.06452e10</td></tr><tr><th>9</th><td>HO2 + HO2 --&gt; H2O2 + O2</td><td>2.27018e10</td></tr><tr><th>10</th><td>H2O2 --&gt; OH + OH</td><td>2.01288e10</td></tr><tr><th>11</th><td>HO2 --&gt; OH + O</td><td>1.83708e10</td></tr><tr><th>12</th><td>CO + OH --&gt; HOCO</td><td>5.95397e9</td></tr><tr><th>13</th><td>HOCO + O2 --&gt; CO2 + HO2</td><td>5.84948e9</td></tr><tr><th>14</th><td>HO2 + H --&gt; O2 + H2</td><td>2.08658e9</td></tr><tr><th>15</th><td>O1D + H2O --&gt; OH + OH</td><td>1.62693e9</td></tr><tr><th>16</th><td>OH + H2 --&gt; H2O + H</td><td>1.61533e9</td></tr><tr><th>17</th><td>OH + H2O2 --&gt; H2O + HO2</td><td>1.09603e9</td></tr><tr><th>18</th><td>H2O2 --&gt; HO2 + H</td><td>1.07813e9</td></tr><tr><th>19</th><td>HO2 + H --&gt; H2O + O1D</td><td>9.67687e8</td></tr><tr><th>20</th><td>O3 + HO2 --&gt; O2 + O2 + OH</td><td>3.59553e8</td></tr><tr><th>21</th><td>HO2 + HO2 + M --&gt; H2O2 + O2 + M</td><td>2.81728e8</td></tr><tr><th>22</th><td>HCOpl + E --&gt; CO + H</td><td>1.42594e8</td></tr><tr><th>23</th><td>O1D + H2 --&gt; OH + H</td><td>1.32058e8</td></tr></tbody></table></div>"
      ],
      "text/latex": [
       "\\begin{tabular}{r|cc}\n",
       "\t& Rxn & Value\\\\\n",
       "\t\\hline\n",
       "\t& Any & Any\\\\\n",
       "\t\\hline\n",
       "\t1 & H + O2 --> HO2 & 1.4822e12 \\\\\n",
       "\t2 & CO + OH --> CO2 + H & 1.344e12 \\\\\n",
       "\t3 & HO2 + O --> O2 + OH & 1.34282e12 \\\\\n",
       "\t4 & OH + O --> O2 + H & 2.05675e11 \\\\\n",
       "\t5 & O3 + H --> O2 + OH & 8.61523e10 \\\\\n",
       "\t6 & HO2 + H --> OH + OH & 4.35459e10 \\\\\n",
       "\t7 & H2O --> H + OH & 3.24901e10 \\\\\n",
       "\t8 & HO2 + OH --> H2O + O2 & 3.06452e10 \\\\\n",
       "\t9 & HO2 + HO2 --> H2O2 + O2 & 2.27018e10 \\\\\n",
       "\t10 & H2O2 --> OH + OH & 2.01288e10 \\\\\n",
       "\t11 & HO2 --> OH + O & 1.83708e10 \\\\\n",
       "\t12 & CO + OH --> HOCO & 5.95397e9 \\\\\n",
       "\t13 & HOCO + O2 --> CO2 + HO2 & 5.84948e9 \\\\\n",
       "\t14 & HO2 + H --> O2 + H2 & 2.08658e9 \\\\\n",
       "\t15 & O1D + H2O --> OH + OH & 1.62693e9 \\\\\n",
       "\t16 & OH + H2 --> H2O + H & 1.61533e9 \\\\\n",
       "\t17 & OH + H2O2 --> H2O + HO2 & 1.09603e9 \\\\\n",
       "\t18 & H2O2 --> HO2 + H & 1.07813e9 \\\\\n",
       "\t19 & HO2 + H --> H2O + O1D & 9.67687e8 \\\\\n",
       "\t20 & O3 + HO2 --> O2 + O2 + OH & 3.59553e8 \\\\\n",
       "\t21 & HO2 + HO2 + M --> H2O2 + O2 + M & 2.81728e8 \\\\\n",
       "\t22 & HCOpl + E --> CO + H & 1.42594e8 \\\\\n",
       "\t23 & O1D + H2 --> OH + H & 1.32058e8 \\\\\n",
       "\\end{tabular}\n"
      ],
      "text/plain": [
       "\u001b[1m23×2 DataFrame\u001b[0m\n",
       "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                             \u001b[0m\u001b[1m Value      \u001b[0m\n",
       "\u001b[1m     \u001b[0m│\u001b[90m Any                             \u001b[0m\u001b[90m Any        \u001b[0m\n",
       "─────┼─────────────────────────────────────────────\n",
       "   1 │ H + O2 --> HO2                   1.4822e12\n",
       "   2 │ CO + OH --> CO2 + H              1.344e12\n",
       "   3 │ HO2 + O --> O2 + OH              1.34282e12\n",
       "   4 │ OH + O --> O2 + H                2.05675e11\n",
       "   5 │ O3 + H --> O2 + OH               8.61523e10\n",
       "   6 │ HO2 + H --> OH + OH              4.35459e10\n",
       "   7 │ H2O --> H + OH                   3.24901e10\n",
       "   8 │ HO2 + OH --> H2O + O2            3.06452e10\n",
       "   9 │ HO2 + HO2 --> H2O2 + O2          2.27018e10\n",
       "  10 │ H2O2 --> OH + OH                 2.01288e10\n",
       "  11 │ HO2 --> OH + O                   1.83708e10\n",
       "  12 │ CO + OH --> HOCO                 5.95397e9\n",
       "  13 │ HOCO + O2 --> CO2 + HO2          5.84948e9\n",
       "  14 │ HO2 + H --> O2 + H2              2.08658e9\n",
       "  15 │ O1D + H2O --> OH + OH            1.62693e9\n",
       "  16 │ OH + H2 --> H2O + H              1.61533e9\n",
       "  17 │ OH + H2O2 --> H2O + HO2          1.09603e9\n",
       "  18 │ H2O2 --> HO2 + H                 1.07813e9\n",
       "  19 │ HO2 + H --> H2O + O1D            9.67687e8\n",
       "  20 │ O3 + HO2 --> O2 + O2 + OH        3.59553e8\n",
       "  21 │ HO2 + HO2 + M --> H2O2 + O2 + M  2.81728e8\n",
       "  22 │ HCOpl + E --> CO + H             1.42594e8\n",
       "  23 │ O1D + H2 --> OH + H              1.32058e8"
      ]
     },
     "execution_count": 116,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "top_rxns = rxns_comprising_p_pct_colrate(deuteration_candidates, 0.9999; Tn=vardict[\"Tn_arr\"][2:end-1], Ti=vardict[\"Ti_arr\"][2:end-1], Te=vardict[\"Te_arr\"][2:end-1], \n",
    "                                   all_species=vardict[\"all_species\"], ion_species=vardict[\"ion_species\"], reaction_network=reaction_network,\n",
    "                                   num_layers, dz)"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "1f300a66-2f2f-4dbe-ac5e-85174ba83a88",
   "metadata": {},
   "source": [
    "# Now get the deuterated analogues"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 86,
   "id": "3bc09cc8-1cac-4ca7-a795-e547d061b94a",
   "metadata": {},
   "outputs": [],
   "source": [
    "D_bearing_species = [s for s in setdiff(union(vardict[\"neutral_species\"], vardict[\"ion_species\"]), [:O1D, :Nup2D]) if occursin('D', string(s))];"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 108,
   "id": "d259e643-0538-4aa0-ab19-220d9f32b45b",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "H_to_D (generic function with 1 method)"
      ]
     },
     "execution_count": 108,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "function deuterated_combinations(s; D_to_H=false)\n",
    "    #=\n",
    "    Given a reactant or product string (i.e. one set of prodcuts),\n",
    "    this figures out all the possible ways to singly deuterate it.\n",
    "    No duplicates.\n",
    "    =#\n",
    "    \n",
    "    prods_split = split(s, \" + \")\n",
    "\n",
    "    N = length(prods_split)\n",
    "    n = collect(1:N)\n",
    "\n",
    "    newopts = Array{String}(undef, N, N)\n",
    "\n",
    "    # Fill in all possible options by changing to deuterated analogue of products, one by one\n",
    "    for i in 1:N\n",
    "        newopts[i, :] = [prods_split[j] for j in n] # fills in the array with the products\n",
    "        newopts[i, i] = H_to_D(newopts[i, i]; reverse=D_to_H) \n",
    "    end\n",
    "    \n",
    "    # Blank out any rows for which the product sets are functionally the same\n",
    "    for i in 1:N\n",
    "        for j in i+1:N\n",
    "            if Set(newopts[i, :]) == Set(newopts[j, :])\n",
    "                newopts[j, :] .= \"\"\n",
    "            end\n",
    "        end\n",
    "    end\n",
    "    \n",
    "    # Delete the blank rows\n",
    "    deletetheserows = []\n",
    "    if D_to_H == true \n",
    "        for i in 1:N      \n",
    "            # get rid of any rows that have even one D-bearing species or a blank reactant/product\n",
    "            # (takes care of rows that have a rogue O1D, and blank rows)\n",
    "            if any(x->in(Symbol(x), D_bearing_species), newopts[i, :]) | any(x->x==\"\", newopts[i, :])\n",
    "                append!(deletetheserows, i)\n",
    "            end\n",
    "        end\n",
    "    else\n",
    "        for i in 1:N      \n",
    "            # get rid of any rows that don't have a D-bearing species \n",
    "            # (takes care of rows that have a rogue O1D, and blank rows)\n",
    "            if all(x->!in(Symbol(x), D_bearing_species), newopts[i, :])\n",
    "                append!(deletetheserows, i)\n",
    "            end\n",
    "        end\n",
    "    end\n",
    "\n",
    "    newopts = newopts[setdiff(1:end, deletetheserows), :]\n",
    "    new_prod_str = []\n",
    "    for i in 1:size(newopts)[1] # length has changed\n",
    "        push!(new_prod_str, join(newopts[i, :], \" + \"))\n",
    "    end\n",
    "\n",
    "    return new_prod_str\n",
    "end\n",
    "\n",
    "function H_to_D(s; count=100, reverse=false)\n",
    "\n",
    "    if reverse==true\n",
    "        return replace(s, \"O1D\"=>\"O1D\", \"H2D\"=>\"H3\", \"HD\"=>\"H2\", \"D\"=>\"H\"; count=count) # This makes sure not to fuck up O1D\n",
    "    else\n",
    "        return replace(s, \"H3\"=>\"H2D\", \"H2\"=>\"HD\", \"H\"=>\"D\"; count=count)\n",
    "    end\n",
    "end\n",
    "\n"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "696d94dc-6486-4988-8ceb-67f01bfdfa37",
   "metadata": {
    "tags": []
   },
   "source": [
    "## Testing..."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 20,
   "id": "795e6128-75e9-4859-be23-dd3c57a0dd95",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "2-element Vector{Any}:\n",
       " \"OD + H + H\"\n",
       " \"OH + D + H\""
      ]
     },
     "execution_count": 20,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "deuterated_combinations(\"OH + H + H\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 21,
   "id": "c35c0601-f131-4ec4-8915-0cd19866ce72",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "1-element Vector{Any}:\n",
       " \"OD + OH\""
      ]
     },
     "execution_count": 21,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "deuterated_combinations(\"OH + OH\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 22,
   "id": "81ed8072-51e8-413e-9833-259e759fc17f",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "1-element Vector{Any}:\n",
       " \"D + H + H\""
      ]
     },
     "execution_count": 22,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "deuterated_combinations(\"H + H + H\")"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "ff910dc9-a553-4b2f-b969-31eadd736015",
   "metadata": {},
   "source": [
    "## Code that allows us to automatically create the deuterated analogue reactions"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "e4b52898-75f5-4df9-9dcb-7ef1c4ac13f0",
   "metadata": {},
   "source": [
    "### Good code"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 98,
   "id": "6dfe6c8c-4c40-46b8-912d-eead83ffb8ce",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "translate_D_and_H (generic function with 1 method)"
      ]
     },
     "execution_count": 98,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "function translate_D_and_H(rxndf; D_to_H=false)\n",
    "    #=\n",
    "    Take a dataframe containing reactions and their column values and replace H with D to form deuterated analogues.\n",
    "    =#\n",
    "    \n",
    "    look_for_these = []\n",
    "    \n",
    "    if D_to_H == true\n",
    "        replaced_atom = \"D\"\n",
    "    else\n",
    "        replaced_atom = \"H\"\n",
    "    end\n",
    "    \n",
    "    for r in eachrow(rxndf)\n",
    "        reactants, products = decompose_chemistry_string(r[1]; returntype=\"strings\")\n",
    "        \n",
    "        #Count H in the reactants and products\n",
    "        H_or_D_in_reactants = count(\"replaced_atom\", reactants)\n",
    "        H_or_D_in_products = count(\"replaced_atom\", products)\n",
    "        \n",
    "        if (H_or_D_in_reactants == 1) & (H_or_D_in_products == 1)\n",
    "            new_reacts = H_to_D(reactants; reverse=D_to_H)\n",
    "            new_prods = H_to_D(products; reverse=D_to_H)\n",
    "            println(\"$(r[1]) -----> $(new_reacts) --> $(new_prods)\")\n",
    "            \n",
    "            new_reacts_symb = [Symbol(r) for r in split(new_reacts, \" + \")]\n",
    "            new_prods_symb = [Symbol(r) for r in split(new_prods, \" + \")]\n",
    "            \n",
    "            push!(look_for_these, [new_reacts_symb, new_prods_symb])\n",
    "            println()\n",
    "        else\n",
    "            new_reacts = deuterated_combinations(reactants; D_to_H=D_to_H)\n",
    "            new_prods = deuterated_combinations(products; D_to_H=D_to_H)\n",
    "            \n",
    "            println(\"Deuteration options for $(reactants) --> $(products)\")\n",
    "            for R in new_reacts\n",
    "                for P in new_prods\n",
    "                    new_reacts_symb = [Symbol(r) for r in split(R, \" + \")]\n",
    "                    new_prods_symb = [Symbol(p) for p in split(P, \" + \")]\n",
    "                    \n",
    "                    # push!(look_for_these, \"$(r) --> $(p)\")\n",
    "                    push!(look_for_these, [new_reacts_symb, new_prods_symb])\n",
    "                    println(\"$(R) --> $(P)\")\n",
    "                end\n",
    "            end\n",
    "\n",
    "            println()\n",
    "        \n",
    "        end\n",
    "    end\n",
    "    return look_for_these\n",
    "end\n",
    "\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 99,
   "id": "dfecf425-6e3c-4ad1-ae2b-fd0c4d46d3cc",
   "metadata": {
    "tags": []
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Deuteration options for H + O2 --> HO2\n",
      "D + O2 --> DO2\n",
      "\n",
      "Deuteration options for CO + OH --> CO2 + H\n",
      "CO + OD --> CO2 + D\n",
      "\n",
      "Deuteration options for HO2 + O --> O2 + OH\n",
      "DO2 + O --> O2 + OD\n",
      "\n",
      "Deuteration options for OH + O --> O2 + H\n",
      "OD + O --> O2 + D\n",
      "\n",
      "Deuteration options for O3 + H --> O2 + OH\n",
      "O3 + D --> O2 + OD\n",
      "\n",
      "Deuteration options for HO2 + H --> OH + OH\n",
      "DO2 + H --> OD + OH\n",
      "HO2 + D --> OD + OH\n",
      "\n",
      "Deuteration options for H2O --> H + OH\n",
      "HDO --> D + OH\n",
      "HDO --> H + OD\n",
      "\n",
      "Deuteration options for HO2 + OH --> H2O + O2\n",
      "DO2 + OH --> HDO + O2\n",
      "HO2 + OD --> HDO + O2\n",
      "\n",
      "Deuteration options for HO2 + HO2 --> H2O2 + O2\n",
      "DO2 + HO2 --> HDO2 + O2\n",
      "\n",
      "Deuteration options for H2O2 --> OH + OH\n",
      "HDO2 --> OD + OH\n",
      "\n",
      "Deuteration options for HO2 --> OH + O\n",
      "DO2 --> OD + O\n",
      "\n",
      "Deuteration options for CO + OH --> HOCO\n",
      "CO + OD --> DOCO\n",
      "\n",
      "Deuteration options for HOCO + O2 --> CO2 + HO2\n",
      "DOCO + O2 --> CO2 + DO2\n",
      "\n",
      "Deuteration options for HO2 + H --> O2 + H2\n",
      "DO2 + H --> O2 + HD\n",
      "HO2 + D --> O2 + HD\n",
      "\n",
      "Deuteration options for O1D + H2O --> OH + OH\n",
      "O1D + HDO --> OD + OH\n",
      "\n",
      "Deuteration options for OH + H2 --> H2O + H\n",
      "OD + H2 --> HDO + H\n",
      "OD + H2 --> H2O + D\n",
      "OH + HD --> HDO + H\n",
      "OH + HD --> H2O + D\n",
      "\n",
      "Deuteration options for OH + H2O2 --> H2O + HO2\n",
      "OD + H2O2 --> HDO + HO2\n",
      "OD + H2O2 --> H2O + DO2\n",
      "OH + HDO2 --> HDO + HO2\n",
      "OH + HDO2 --> H2O + DO2\n",
      "\n",
      "Deuteration options for H2O2 --> HO2 + H\n",
      "HDO2 --> DO2 + H\n",
      "HDO2 --> HO2 + D\n",
      "\n",
      "Deuteration options for HO2 + H --> H2O + O1D\n",
      "DO2 + H --> HDO + O1D\n",
      "HO2 + D --> HDO + O1D\n",
      "\n",
      "Deuteration options for O3 + HO2 --> O2 + O2 + OH\n",
      "O3 + DO2 --> O2 + O2 + OD\n",
      "\n",
      "Deuteration options for HO2 + HO2 + M --> H2O2 + O2 + M\n",
      "DO2 + HO2 + M --> HDO2 + O2 + M\n",
      "\n",
      "Deuteration options for HCOpl + E --> CO + H\n",
      "DCOpl + E --> CO + D\n",
      "\n",
      "Deuteration options for O1D + H2 --> OH + H\n",
      "O1D + HD --> OD + H\n",
      "O1D + HD --> OH + D\n",
      "\n"
     ]
    },
    {
     "data": {
      "text/plain": [
       "36-element Vector{Any}:\n",
       " [[:D, :O2], [:DO2]]\n",
       " [[:CO, :OD], [:CO2, :D]]\n",
       " [[:DO2, :O], [:O2, :OD]]\n",
       " [[:OD, :O], [:O2, :D]]\n",
       " [[:O3, :D], [:O2, :OD]]\n",
       " [[:DO2, :H], [:OD, :OH]]\n",
       " [[:HO2, :D], [:OD, :OH]]\n",
       " [[:HDO], [:D, :OH]]\n",
       " [[:HDO], [:H, :OD]]\n",
       " [[:DO2, :OH], [:HDO, :O2]]\n",
       " [[:HO2, :OD], [:HDO, :O2]]\n",
       " [[:DO2, :HO2], [:HDO2, :O2]]\n",
       " [[:HDO2], [:OD, :OH]]\n",
       " ⋮\n",
       " [[:OD, :H2O2], [:H2O, :DO2]]\n",
       " [[:OH, :HDO2], [:HDO, :HO2]]\n",
       " [[:OH, :HDO2], [:H2O, :DO2]]\n",
       " [[:HDO2], [:DO2, :H]]\n",
       " [[:HDO2], [:HO2, :D]]\n",
       " [[:DO2, :H], [:HDO, :O1D]]\n",
       " [[:HO2, :D], [:HDO, :O1D]]\n",
       " [[:O3, :DO2], [:O2, :O2, :OD]]\n",
       " [[:DO2, :HO2, :M], [:HDO2, :O2, :M]]\n",
       " [[:DCOpl, :E], [:CO, :D]]\n",
       " [[:O1D, :HD], [:OD, :H]]\n",
       " [[:O1D, :HD], [:OH, :D]]"
      ]
     },
     "execution_count": 99,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "look_for_these = translate_D_and_H(top_rxns.\"Rxn\")"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "d1e48f18-7b5f-422f-9c33-bfac775e3ba1",
   "metadata": {},
   "source": [
    "# Search for the deuterated analogues in the network"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 121,
   "id": "949466b9-47e6-4b94-aceb-cadfe23532bf",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "reactions_present (generic function with 1 method)"
      ]
     },
     "execution_count": 121,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "function reactions_present(rxns_to_find; return_found=false, reaction_network)\n",
    "    #=\n",
    "    rxns_to_find: list of reactions like [[reactants], [products]] (symbols) that\n",
    "    are deuterated analogues that we should have in reaction_network. reports how many\n",
    "    are not there and what they are.\n",
    "    WARNING: It is finding an O1D reaction that it shouldn't be check each to be sure\n",
    "    =#\n",
    "    \n",
    "    missing_count = 0\n",
    "    not_found = []\n",
    "    \n",
    "    found = []\n",
    "\n",
    "    flag = false\n",
    "    for rxn in rxns_to_find\n",
    "        for rxn_in_net in reaction_network\n",
    "            if (Set(rxn[1])==Set(rxn_in_net[1])) & (Set(rxn[2])==Set(rxn_in_net[2]))\n",
    "                # println(\"Found $(format_chemistry_string(rxn[1], rxn[2])) match: $(format_chemistry_string(rxn_in_net[1], rxn_in_net[2]))\")\n",
    "                flag = true\n",
    "                push!(found, rxn_in_net)\n",
    "            end\n",
    "        end\n",
    "        if flag == false\n",
    "            push!(not_found, rxn)\n",
    "            # println(\"\\n !!!!!!!!!!!!!!!!! \\n $(rxn) not found in the network\\n !!!!!!!!!!!!!!!!! \\n \")\n",
    "            missing_count += 1\n",
    "        end\n",
    "        flag = false\n",
    "    end\n",
    "    println(\"Missing $(missing_count) reactions\")\n",
    "    \n",
    "    if return_found\n",
    "        if missing_count > 0\n",
    "            println(\"These are the ones I couldn't find, suspiciously\")\n",
    "            println(not_found)\n",
    "            println()\n",
    "        end\n",
    "        return found\n",
    "    else\n",
    "        return not_found\n",
    "    end\n",
    "end"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 90,
   "id": "76e5141b-986d-4d22-9431-585bb6d5d837",
   "metadata": {
    "tags": []
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Missing 2 reactions\n"
     ]
    },
    {
     "data": {
      "text/plain": [
       "2-element Vector{Any}:\n",
       " [[:OD, :H2], [:H2O, :D]]\n",
       " [[:OD, :H2O2], [:H2O, :DO2]]"
      ]
     },
     "execution_count": 90,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "not_found = reactions_present(look_for_these; reaction_network)"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "be91513d-797e-4265-a547-1be9a18461db",
   "metadata": {},
   "source": [
    "Wait a second--that first reaction isn't possible. I think the code is coming up with garbage. Need to review the auto-creation of the analogues..."
   ]
  },
  {
   "cell_type": "markdown",
   "id": "81717d2f-388b-4e3a-b7a3-f7e963212271",
   "metadata": {},
   "source": [
    "# Figure out exactly how much of the total H column the H analogues of our actual D network cover."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 109,
   "id": "bd2882c7-930e-4341-8969-870d043b4e49",
   "metadata": {
    "scrolled": true,
    "tags": []
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "For D: \n",
      "100% of reactions is 84/84\n",
      "The column rate of top 100.0% of reactions is 9.845765378507174e8\n",
      "Which equates to 100.0% of the total column rate (9.845765378507174e8).\n",
      "\n",
      "\u001b[1m84×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                        \u001b[0m\u001b[1m Value            \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                     \u001b[0m\u001b[90m Float64          \u001b[0m\n",
      "─────┼──────────────────────────────────────────────\n",
      "   1 │ D + O2 --> DO2                   4.02785e8\n",
      "   2 │ CO + OD --> CO2 + D              3.87903e8\n",
      "   3 │ O + OD --> O2 + D                9.10775e7\n",
      "   4 │ D + O3 --> OD + O2               3.2716e7\n",
      "   5 │ D + HO2 --> DO2 + H              2.61155e7\n",
      "   6 │ OH + D --> OD + H                2.00481e7\n",
      "   7 │ D + HO2 --> OH + OD              1.33503e7\n",
      "   8 │ HDO --> D + OH                   8.49736e6\n",
      "   9 │ D + HO2 --> HD + O2              6.397e5\n",
      "  10 │ OD + H --> OH + D                3.14005e5\n",
      "  11 │ OH + HD --> H2O + D         300805.0\n",
      "  12 │ D + HO2 --> HDO + O1D            2.96673e5\n",
      "  13 │ H + DO2 --> HO2 + D         228670.0\n",
      "  14 │ HDO2 --> HO2 + D                 1.49586e5\n",
      "  15 │ O1D + HD --> D + OH          67540.7\n",
      "  16 │ CO2pl + HD --> HCO2pl + D    19192.6\n",
      "  17 │ DCOpl + E --> CO + D         18455.5\n",
      "  18 │ CO + D --> DCO               10902.5\n",
      "  19 │ H + HD --> H2 + D            10001.6\n",
      "  20 │ O + D --> OD                  9150.48\n",
      "  21 │ CO2pl + D --> DCOpl + O       3045.64\n",
      "  22 │ HD + O --> OH + D             2753.05\n",
      "  23 │ DCO2pl + E --> CO + O + D     2394.28\n",
      "  24 │ H + D + M --> HD + M          1860.98\n",
      "  25 │ D + H2 --> HD + H             1566.65\n",
      "  26 │ D + OH + CO2 --> HDO + CO2    1173.31\n",
      "  27 │ Opl + HD --> OHpl + D         1040.84\n",
      "  28 │ CO2pl + D --> Dpl + CO2        961.782\n",
      "  29 │ Dpl + CO2 --> CO2pl + D        782.129\n",
      "  30 │ OD --> O + D                   517.178\n",
      "  31 │ HCOpl + D --> DCOpl + H        415.847\n",
      "  32 │ HD --> H + D                   271.271\n",
      "  33 │ DCO + O --> CO2 + D            211.321\n",
      "  34 │ Opl + D --> Dpl + O            207.532\n",
      "  35 │ DCO2pl + E --> CO2 + D         176.05\n",
      "  36 │ N2pl + HD --> N2Hpl + D        165.613\n",
      "  37 │ D --> Dpl                      148.075\n",
      "  38 │ HDpl + CO2 --> HCO2pl + D      145.314\n",
      "  39 │ ODpl + O --> O2pl + D          140.201\n",
      "  40 │ COpl + HD --> HCOpl + D         57.3194\n",
      "  41 │ COpl + HD --> HOCpl + D         57.3194\n",
      "  42 │ HD --> Hpl + D                  45.3492\n",
      "  43 │ H2DOpl + E --> OH + D + H       39.719\n",
      "  44 │ D + H2O2 --> H2O + OD           37.4567\n",
      "  45 │ D + H2O2 --> HDO + OH           37.4567\n",
      "  46 │ DCOpl + H --> HCOpl + D         34.1463\n",
      "  47 │ HDpl + O --> OHpl + D           25.759\n",
      "  48 │ HDOpl + E --> O + D + H         24.3932\n",
      "  49 │ OHpl + HD --> H2Opl + D         20.0046\n",
      "  50 │ H2DOpl + E --> H2O + D          16.5274\n",
      "  51 │ HDpl + N2 --> N2Hpl + D         14.2168\n",
      "  52 │ Dpl + O --> D + Opl             11.699\n",
      "  53 │ HDpl + CO --> HCOpl + D         10.9446\n",
      "  54 │ COpl + D --> Dpl + CO            9.73291\n",
      "  55 │ N2pl + D --> Dpl + N2            9.47469\n",
      "  56 │ HDpl + Ar --> ArHpl + D          8.03077\n",
      "  57 │ HCO + D --> CO + HD              5.67946\n",
      "  58 │ ODpl + H2 --> H2Opl + D          4.5858\n",
      "  59 │ N2Dpl + E --> N2 + D             4.30468\n",
      "  60 │ HDOpl + E --> OH + D             3.43616\n",
      "  61 │ Npl + HD --> NHpl + D            2.30923\n",
      "  62 │ Dpl + O2 --> O2pl + D            2.05822\n",
      "  63 │ ODpl + E --> O + D               1.46403\n",
      "  64 │ HDOpl + H2 --> H3Opl + D         1.22527\n",
      "  65 │ Dpl + H --> D + Hpl              1.19811\n",
      "  66 │ HDpl + O2 --> HO2pl + D          0.89338\n",
      "  67 │ H2DOpl + E --> H2 + O + D        0.860133\n",
      "  68 │ H2Opl + HD --> H3Opl + D         0.662357\n",
      "  69 │ N2Hpl + D --> N2Dpl + H          0.249515\n",
      "  70 │ N2Dpl + H --> N2Hpl + D          0.183649\n",
      "  71 │ HDpl + E --> H + D               0.170984\n",
      "  72 │ ODpl + N --> NOpl + D            0.17014\n",
      "  73 │ HDO --> OHpl + D                 0.0586517\n",
      "  74 │ OD --> O1D + D                   0.0333291\n",
      "  75 │ Cpl + HDO --> HOCpl + D          0.0142392\n",
      "  76 │ HDOpl + N --> HNOpl + D          0.00925532\n",
      "  77 │ Cpl + HDO --> HCOpl + D          0.00700875\n",
      "  78 │ HDpl + HD --> H2Dpl + D          0.0042868\n",
      "  79 │ Dpl + NO --> NOpl + D            0.00298752\n",
      "  80 │ Arpl + HD --> ArHpl + D          0.000934821\n",
      "  81 │ Hpl + HDO --> H2Opl + D          0.000702098\n",
      "  82 │ Dpl + H2O --> H2Opl + D          0.000218603\n",
      "  83 │ Cpl + HD --> CHpl + D            2.973e-6\n",
      "  84 │ HDO --> H + D + O                0.0\n",
      "\n",
      "For DCO: \n",
      "100% of reactions is 7/7\n",
      "The column rate of top 100.0% of reactions is 21838.898135053747\n",
      "Which equates to 100.0% of the total column rate (21838.898135053747).\n",
      "\n",
      "\u001b[1m7×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                   \u001b[0m\u001b[1m Value         \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                \u001b[0m\u001b[90m Float64       \u001b[0m\n",
      "─────┼──────────────────────────────────────\n",
      "   1 │ CO + D --> DCO         10902.5\n",
      "   2 │ DCO + O2 --> DO2 + CO   9166.02\n",
      "   3 │ DCO + O2 --> CO2 + OD   1339.65\n",
      "   4 │ DCO + O --> CO + OD      211.321\n",
      "   5 │ DCO + O --> CO2 + D      211.321\n",
      "   6 │ DCO + H --> CO + HD        8.01274\n",
      "   7 │ DCO + OH --> HDO + CO      0.0310397\n",
      "\n",
      "For DO2: \n",
      "100% of reactions is 19/19\n",
      "The column rate of top 100.0% of reactions is 8.603702034177815e8\n",
      "Which equates to 100.0% of the total column rate (8.603702034177815e8).\n",
      "\n",
      "\u001b[1m19×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                             \u001b[0m\u001b[1m Value          \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                          \u001b[0m\u001b[90m Float64        \u001b[0m\n",
      "─────┼─────────────────────────────────────────────────\n",
      "   1 │ D + O2 --> DO2                        4.02785e8\n",
      "   2 │ O + DO2 --> OD + O2                   3.92045e8\n",
      "   3 │ D + HO2 --> DO2 + H                   2.61155e7\n",
      "   4 │ H + DO2 --> OH + OD                   1.57421e7\n",
      "   5 │ OH + DO2 --> HDO + O2                 8.90007e6\n",
      "   6 │ DO2 + HO2 --> HDO2 + O2               6.28822e6\n",
      "   7 │ DO2 --> OD + O                        5.12786e6\n",
      "   8 │ DOCO + O2 --> DO2 + CO2               1.52371e6\n",
      "   9 │ H + DO2 --> HD + O2              754308.0\n",
      "  10 │ H + DO2 --> HDO + O1D            349824.0\n",
      "  11 │ H + DO2 --> HO2 + D              228670.0\n",
      "  12 │ HDO2 --> DO2 + H                      1.49586e5\n",
      "  13 │ OH + HDO2 --> H2O + DO2               1.48677e5\n",
      "  14 │ DO2 + O3 --> OD + O2 + O2             1.0422e5\n",
      "  15 │ HO2 + DO2 + M --> HDO2 + O2 + M   81018.4\n",
      "  16 │ OD + O3 --> DO2 + O2              15533.8\n",
      "  17 │ DCO + O2 --> DO2 + CO              9166.02\n",
      "  18 │ O + HDO2 --> OH + DO2              1482.19\n",
      "  19 │ DO2 + N --> NO + OD                  62.2126\n",
      "\n",
      "For DOCO: \n",
      "100% of reactions is 3/3\n",
      "The column rate of top 100.0% of reactions is 3.074609301615067e6\n",
      "Which equates to 99.99999999999999% of the total column rate (3.074609301615067e6).\n",
      "\n",
      "\u001b[1m3×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                     \u001b[0m\u001b[1m Value     \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                  \u001b[0m\u001b[90m Float64   \u001b[0m\n",
      "─────┼────────────────────────────────────\n",
      "   1 │ CO + OD --> DOCO         1.5509e6\n",
      "   2 │ DOCO + O2 --> DO2 + CO2  1.52371e6\n",
      "   3 │ DOCO + OH --> CO2 + HDO  0.168086\n",
      "\n",
      "For HD: \n",
      "100% of reactions is 51/51\n",
      "The column rate of top 100.0% of reactions is 2.6517907901187344e6\n",
      "Which equates to 100.0% of the total column rate (2.6517907901187344e6).\n",
      "\n",
      "\u001b[1m51×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                       \u001b[0m\u001b[1m Value            \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                    \u001b[0m\u001b[90m Float64          \u001b[0m\n",
      "─────┼─────────────────────────────────────────────\n",
      "   1 │ OH + HD --> HDO + H             7.62911e5\n",
      "   2 │ H + DO2 --> HD + O2        754308.0\n",
      "   3 │ D + HO2 --> HD + O2             6.397e5\n",
      "   4 │ OH + HD --> H2O + D        300805.0\n",
      "   5 │ O1D + HD --> D + OH         67540.7\n",
      "   6 │ O1D + HD --> H + OD         67540.7\n",
      "   7 │ CO2pl + HD --> DCO2pl + H   19192.6\n",
      "   8 │ CO2pl + HD --> HCO2pl + D   19192.6\n",
      "   9 │ H + HD --> H2 + D           10001.6\n",
      "  10 │ HD + O --> OH + D            2753.05\n",
      "  11 │ H + D + M --> HD + M         1860.98\n",
      "  12 │ D + H2 --> HD + H            1566.65\n",
      "  13 │ Opl + HD --> OHpl + D        1040.84\n",
      "  14 │ HD + O --> OD + H            1004.58\n",
      "  15 │ Opl + HD --> ODpl + H         886.639\n",
      "  16 │ HD --> HDpl                   408.143\n",
      "  17 │ HD --> H + D                  271.271\n",
      "  18 │ N2pl + HD --> N2Dpl + H       172.373\n",
      "  19 │ N2pl + HD --> N2Hpl + D       165.613\n",
      "  20 │ COpl + HD --> DCOpl + H        57.3194\n",
      "  21 │ COpl + HD --> DOCpl + H        57.3194\n",
      "  22 │ COpl + HD --> HCOpl + D        57.3194\n",
      "  23 │ COpl + HD --> HOCpl + D        57.3194\n",
      "  24 │ HDO --> HD + O1D               51.541\n",
      "  25 │ HD --> Dpl + H                 45.3492\n",
      "  26 │ HD --> Hpl + D                 45.3492\n",
      "  27 │ HDOpl + O --> O2pl + HD        20.5053\n",
      "  28 │ OHpl + HD --> H2Opl + D        20.0046\n",
      "  29 │ OHpl + HD --> HDOpl + H        20.0046\n",
      "  30 │ H2DOpl + E --> OH + HD          9.2411\n",
      "  31 │ DCO + H --> CO + HD             8.01274\n",
      "  32 │ HCO + D --> CO + HD             5.67946\n",
      "  33 │ Dpl + H2 --> Hpl + HD           4.46848\n",
      "  34 │ HDOpl + E --> HD + O            3.09606\n",
      "  35 │ Npl + HD --> NHpl + D           2.30923\n",
      "  36 │ H2DOpl + E --> HD + O + H       0.860133\n",
      "  37 │ H2Opl + HD --> H2DOpl + H       0.662357\n",
      "  38 │ H2Opl + HD --> H3Opl + D        0.662357\n",
      "  39 │ Hpl + HD --> Dpl + H2           0.580254\n",
      "  40 │ H2Dpl + CO --> HCOpl + HD       0.0847835\n",
      "  41 │ ArHpl + HD --> H2Dpl + Ar       0.0382802\n",
      "  42 │ DOCpl + H2 --> HCOpl + HD       0.0360155\n",
      "  43 │ ArDpl + H2 --> ArHpl + HD       0.0214036\n",
      "  44 │ HDOpl + N --> NOpl + HD         0.00925532\n",
      "  45 │ H2Dpl + H2 --> H3pl + HD        0.00562174\n",
      "  46 │ HDO --> Opl + HD                0.00511527\n",
      "  47 │ HDpl + HD --> H2Dpl + D         0.0042868\n",
      "  48 │ Arpl + HD --> ArDpl + H         0.000975465\n",
      "  49 │ Arpl + HD --> ArHpl + D         0.000934821\n",
      "  50 │ Arpl + HD --> HDpl + Ar         0.000121933\n",
      "  51 │ Cpl + HD --> CHpl + D           2.973e-6\n",
      "\n",
      "For HDO: \n",
      "100% of reactions is 51/51\n",
      "The column rate of top 100.0% of reactions is 3.9726789234439895e7\n",
      "Which equates to 100.0% of the total column rate (3.9726789234439895e7).\n",
      "\n",
      "\u001b[1m51×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                           \u001b[0m\u001b[1m Value            \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                        \u001b[0m\u001b[90m Float64          \u001b[0m\n",
      "─────┼─────────────────────────────────────────────────\n",
      "   1 │ OH + DO2 --> HDO + O2               8.90007e6\n",
      "   2 │ OD + HO2 --> HDO + O2               8.75583e6\n",
      "   3 │ HDO --> D + OH                      8.49736e6\n",
      "   4 │ HDO --> H + OD                      8.49736e6\n",
      "   5 │ O1D + HDO --> OD + OH               2.78704e6\n",
      "   6 │ OH + HD --> HDO + H                 7.62911e5\n",
      "   7 │ OD + H2 --> HDO + H                 4.26944e5\n",
      "   8 │ H + DO2 --> HDO + O1D          349824.0\n",
      "   9 │ D + HO2 --> HDO + O1D               2.96673e5\n",
      "  10 │ OD + H2O2 --> HDO + HO2             2.88412e5\n",
      "  11 │ OH + HDO2 --> HDO + HO2             1.48677e5\n",
      "  12 │ OD + OH --> HDO + O             12561.5\n",
      "  13 │ H + OD + CO2 --> HDO + CO2       1518.84\n",
      "  14 │ D + OH + CO2 --> HDO + CO2       1173.31\n",
      "  15 │ CO2pl + HDO --> HDOpl + CO2       131.7\n",
      "  16 │ HCOpl + HDO --> H2DOpl + CO       119.246\n",
      "  17 │ HDO --> HD + O1D                   51.541\n",
      "  18 │ D + H2O2 --> HDO + OH              37.4567\n",
      "  19 │ H + HDO2 --> HDO + OH              28.4459\n",
      "  20 │ HDOpl + O2 --> O2pl + HDO          24.5543\n",
      "  21 │ H2DOpl + E --> HDO + H             16.5274\n",
      "  22 │ CO2pl + HDO --> DCO2pl + OH        10.975\n",
      "  23 │ CO2pl + HDO --> HCO2pl + OD        10.975\n",
      "  24 │ HCO2pl + HDO --> H2DOpl + CO2       0.803133\n",
      "  25 │ Opl + HDO --> HDOpl + O             0.52758\n",
      "  26 │ HDO --> HDOpl                       0.30218\n",
      "  27 │ HOCO + OD --> CO2 + HDO             0.17565\n",
      "  28 │ DOCO + OH --> CO2 + HDO             0.168086\n",
      "  29 │ COpl + HDO --> HDOpl + CO           0.0933668\n",
      "  30 │ HDO --> ODpl + H                    0.0586517\n",
      "  31 │ HDO --> OHpl + D                    0.0586517\n",
      "  32 │ N2pl + HDO --> HDOpl + N2           0.035161\n",
      "  33 │ HDO --> Dpl + OH                    0.0319346\n",
      "  34 │ HDO --> Hpl + OD                    0.0319346\n",
      "  35 │ DCO + OH --> HDO + CO               0.0310397\n",
      "  36 │ HCO + OD --> HDO + CO               0.0295915\n",
      "  37 │ COpl + HDO --> DCOpl + OH           0.0251372\n",
      "  38 │ COpl + HDO --> HCOpl + OD           0.0251372\n",
      "  39 │ HDOpl + NO --> NOpl + HDO           0.0217685\n",
      "  40 │ Cpl + HDO --> DOCpl + H             0.0142392\n",
      "  41 │ Cpl + HDO --> HOCpl + D             0.0142392\n",
      "  42 │ Cpl + HDO --> DCOpl + H             0.00700875\n",
      "  43 │ Cpl + HDO --> HCOpl + D             0.00700875\n",
      "  44 │ Cpl + HDO --> HDOpl + C             0.00632853\n",
      "  45 │ HDO --> Opl + HD                    0.00511527\n",
      "  46 │ N2pl + HDO --> N2Dpl + OH           0.00466346\n",
      "  47 │ N2pl + HDO --> N2Hpl + OD           0.00466346\n",
      "  48 │ Hpl + HDO --> H2Opl + D             0.000702098\n",
      "  49 │ Hpl + HDO --> HDOpl + H             0.000702098\n",
      "  50 │ HDO --> H + D + O                   0.0\n",
      "  51 │ HDO2 --> HDO + O1D                  0.0\n",
      "\n",
      "For HDO2: \n",
      "100% of reactions is 13/13\n",
      "The column rate of top 100.0% of reactions is 1.2557842024552768e7\n",
      "Which equates to 100.0% of the total column rate (1.2557842024552768e7).\n",
      "\n",
      "\u001b[1m13×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                             \u001b[0m\u001b[1m Value         \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                          \u001b[0m\u001b[90m Float64       \u001b[0m\n",
      "─────┼────────────────────────────────────────────────\n",
      "   1 │ DO2 + HO2 --> HDO2 + O2              6.28822e6\n",
      "   2 │ HDO2 --> OH + OD                     5.58897e6\n",
      "   3 │ HDO2 --> DO2 + H                     1.49586e5\n",
      "   4 │ HDO2 --> HO2 + D                     1.49586e5\n",
      "   5 │ OH + HDO2 --> H2O + DO2              1.48677e5\n",
      "   6 │ OH + HDO2 --> HDO + HO2              1.48677e5\n",
      "   7 │ HO2 + DO2 + M --> HDO2 + O2 + M  81018.4\n",
      "   8 │ O + HDO2 --> OD + HO2             1482.19\n",
      "   9 │ O + HDO2 --> OH + DO2             1482.19\n",
      "  10 │ OD + OH --> HDO2                    86.8041\n",
      "  11 │ H + HDO2 --> H2O + OD               28.4459\n",
      "  12 │ H + HDO2 --> HDO + OH               28.4459\n",
      "  13 │ HDO2 --> HDO + O1D                   0.0\n",
      "\n",
      "For OD: \n",
      "100% of reactions is 46/46\n",
      "The column rate of top 100.0% of reactions is 9.86437469503797e8\n",
      "Which equates to 100.0% of the total column rate (9.86437469503797e8).\n",
      "\n",
      "\u001b[1m46×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                         \u001b[0m\u001b[1m Value          \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                      \u001b[0m\u001b[90m Float64        \u001b[0m\n",
      "─────┼─────────────────────────────────────────────\n",
      "   1 │ O + DO2 --> OD + O2              3.92045e8\n",
      "   2 │ CO + OD --> CO2 + D              3.87903e8\n",
      "   3 │ O + OD --> O2 + D                9.10775e7\n",
      "   4 │ D + O3 --> OD + O2               3.2716e7\n",
      "   5 │ OH + D --> OD + H                2.00481e7\n",
      "   6 │ H + DO2 --> OH + OD              1.57421e7\n",
      "   7 │ D + HO2 --> OH + OD              1.33503e7\n",
      "   8 │ OD + HO2 --> HDO + O2            8.75583e6\n",
      "   9 │ HDO --> H + OD                   8.49736e6\n",
      "  10 │ HDO2 --> OH + OD                 5.58897e6\n",
      "  11 │ DO2 --> OD + O                   5.12786e6\n",
      "  12 │ O1D + HDO --> OD + OH            2.78704e6\n",
      "  13 │ CO + OD --> DOCO                 1.5509e6\n",
      "  14 │ OD + H2 --> HDO + H              4.26944e5\n",
      "  15 │ OD + H --> OH + D                3.14005e5\n",
      "  16 │ OD + H2O2 --> HDO + HO2          2.88412e5\n",
      "  17 │ DO2 + O3 --> OD + O2 + O2        1.0422e5\n",
      "  18 │ O1D + HD --> H + OD          67540.7\n",
      "  19 │ OD + O3 --> DO2 + O2         15533.8\n",
      "  20 │ OD + OH --> HDO + O          12561.5\n",
      "  21 │ O + D --> OD                  9150.48\n",
      "  22 │ H + OD + CO2 --> HDO + CO2    1518.84\n",
      "  23 │ O + HDO2 --> OD + HO2         1482.19\n",
      "  24 │ DCOpl + E --> OD + C          1404.22\n",
      "  25 │ DCO + O2 --> CO2 + OD         1339.65\n",
      "  26 │ HD + O --> OD + H             1004.58\n",
      "  27 │ DCO2pl + E --> CO + OD         950.672\n",
      "  28 │ OD --> O + D                   517.178\n",
      "  29 │ DCO + O --> CO + OD            211.321\n",
      "  30 │ OD + OH --> HDO2                86.8041\n",
      "  31 │ DO2 + N --> NO + OD             62.2126\n",
      "  32 │ DOCpl + E --> OD + C            54.5236\n",
      "  33 │ H2DOpl + E --> OD + H + H       39.719\n",
      "  34 │ D + H2O2 --> H2O + OD           37.4567\n",
      "  35 │ HDOpl + CO --> HCOpl + OD       37.1698\n",
      "  36 │ H + HDO2 --> H2O + OD           28.4459\n",
      "  37 │ CO2pl + HDO --> HCO2pl + OD     10.975\n",
      "  38 │ H2DOpl + E --> OD + H2           9.2411\n",
      "  39 │ HDOpl + E --> OD + H             3.43616\n",
      "  40 │ ODpl + O2 --> O2pl + OD          1.81575\n",
      "  41 │ HOCO + OD --> CO2 + HDO          0.17565\n",
      "  42 │ OD --> O1D + D                   0.0333291\n",
      "  43 │ HDO --> Hpl + OD                 0.0319346\n",
      "  44 │ HCO + OD --> HDO + CO            0.0295915\n",
      "  45 │ COpl + HDO --> HCOpl + OD        0.0251372\n",
      "  46 │ N2pl + HDO --> N2Hpl + OD        0.00466346\n",
      "\n",
      "For ArDpl: \n",
      "100% of reactions is 7/7\n",
      "The column rate of top 100.0% of reactions is 13.1432058842378\n",
      "Which equates to 100.0% of the total column rate (13.1432058842378).\n",
      "\n",
      "\u001b[1m7×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                         \u001b[0m\u001b[1m Value       \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                      \u001b[0m\u001b[90m Float64     \u001b[0m\n",
      "─────┼──────────────────────────────────────────\n",
      "   1 │ HDpl + Ar --> ArDpl + H      6.57063\n",
      "   2 │ ArDpl + CO2 --> DCO2pl + Ar  5.76634\n",
      "   3 │ ArDpl + CO --> DCOpl + Ar    0.389776\n",
      "   4 │ ArDpl + N2 --> N2Dpl + Ar    0.352224\n",
      "   5 │ ArDpl + H2 --> H2Dpl + Ar    0.0418559\n",
      "   6 │ ArDpl + H2 --> ArHpl + HD    0.0214036\n",
      "   7 │ Arpl + HD --> ArDpl + H      0.000975465\n",
      "\n",
      "For DCO2pl: \n",
      "100% of reactions is 11/11\n",
      "The column rate of top 100.0% of reactions is 40189.593824085234\n",
      "Which equates to 100.0% of the total column rate (40189.593824085234).\n",
      "\n",
      "\u001b[1m11×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                           \u001b[0m\u001b[1m Value         \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                        \u001b[0m\u001b[90m Float64       \u001b[0m\n",
      "─────┼──────────────────────────────────────────────\n",
      "   1 │ CO2pl + HD --> DCO2pl + H      19192.6\n",
      "   2 │ DCO2pl + O --> DCOpl + O2       8543.24\n",
      "   3 │ DCO2pl + CO --> DCOpl + CO2     7990.88\n",
      "   4 │ DCO2pl + E --> CO + O + D       2394.28\n",
      "   5 │ DCO2pl + E --> CO + OD           950.672\n",
      "   6 │ ODpl + CO2 --> DCO2pl + O        779.744\n",
      "   7 │ DCO2pl + E --> CO2 + D           176.05\n",
      "   8 │ HDpl + CO2 --> DCO2pl + H        145.314\n",
      "   9 │ CO2pl + HDO --> DCO2pl + OH       10.975\n",
      "  10 │ ArDpl + CO2 --> DCO2pl + Ar        5.76634\n",
      "  11 │ DCO2pl + H2O --> H2DOpl + CO2      0.0588014\n",
      "\n",
      "For DCOpl: \n",
      "100% of reactions is 19/19\n",
      "The column rate of top 100.0% of reactions is 40756.035681382236\n",
      "Which equates to 100.0% of the total column rate (40756.035681382236).\n",
      "\n",
      "\u001b[1m19×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                         \u001b[0m\u001b[1m Value          \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                      \u001b[0m\u001b[90m Float64        \u001b[0m\n",
      "─────┼─────────────────────────────────────────────\n",
      "   1 │ DCOpl + E --> CO + D         18455.5\n",
      "   2 │ DCO2pl + O --> DCOpl + O2     8543.24\n",
      "   3 │ DCO2pl + CO --> DCOpl + CO2   7990.88\n",
      "   4 │ CO2pl + D --> DCOpl + O       3045.64\n",
      "   5 │ DCOpl + E --> OD + C          1404.22\n",
      "   6 │ Dpl + CO2 --> DCOpl + O        581.01\n",
      "   7 │ HCOpl + D --> DCOpl + H        415.847\n",
      "   8 │ N2Dpl + CO --> DCOpl + N2      128.83\n",
      "   9 │ COpl + HD --> DCOpl + H         57.3194\n",
      "  10 │ HDOpl + CO --> DCOpl + OH       37.1698\n",
      "  11 │ DCOpl + H --> HCOpl + D         34.1463\n",
      "  12 │ ODpl + CO --> DCOpl + O         33.6709\n",
      "  13 │ DCOpl + H2O --> H2DOpl + CO     12.463\n",
      "  14 │ HDpl + CO --> DCOpl + H         10.9446\n",
      "  15 │ DOCpl + CO --> DCOpl + CO        4.73905\n",
      "  16 │ ArDpl + CO --> DCOpl + Ar        0.389776\n",
      "  17 │ H2Dpl + CO --> DCOpl + H2        0.041759\n",
      "  18 │ COpl + HDO --> DCOpl + OH        0.0251372\n",
      "  19 │ Cpl + HDO --> DCOpl + H          0.00700875\n",
      "\n",
      "For DOCpl: \n",
      "100% of reactions is 6/6\n",
      "The column rate of top 100.0% of reactions is 116.6801022743559\n",
      "Which equates to 100.0% of the total column rate (116.6801022743559).\n",
      "\n",
      "\u001b[1m6×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                       \u001b[0m\u001b[1m Value      \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                    \u001b[0m\u001b[90m Float64    \u001b[0m\n",
      "─────┼───────────────────────────────────────\n",
      "   1 │ COpl + HD --> DOCpl + H    57.3194\n",
      "   2 │ DOCpl + E --> OD + C       54.5236\n",
      "   3 │ DOCpl + CO --> DCOpl + CO   4.73905\n",
      "   4 │ DOCpl + H2 --> H2Dpl + CO   0.0477414\n",
      "   5 │ DOCpl + H2 --> HCOpl + HD   0.0360155\n",
      "   6 │ Cpl + HDO --> DOCpl + H     0.0142392\n",
      "\n",
      "For Dpl: \n",
      "100% of reactions is 17/17\n",
      "The column rate of top 100.0% of reactions is 2765.124614438978\n",
      "Which equates to 100.0% of the total column rate (2765.124614438978).\n",
      "\n",
      "\u001b[1m17×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                     \u001b[0m\u001b[1m Value         \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                  \u001b[0m\u001b[90m Float64       \u001b[0m\n",
      "─────┼────────────────────────────────────────\n",
      "   1 │ CO2pl + D --> Dpl + CO2  961.782\n",
      "   2 │ Dpl + CO2 --> CO2pl + D  782.129\n",
      "   3 │ Dpl + CO2 --> DCOpl + O  581.01\n",
      "   4 │ Opl + D --> Dpl + O      207.532\n",
      "   5 │ D --> Dpl                148.075\n",
      "   6 │ HD --> Dpl + H            45.3492\n",
      "   7 │ Dpl + O --> D + Opl       11.699\n",
      "   8 │ COpl + D --> Dpl + CO      9.73291\n",
      "   9 │ N2pl + D --> Dpl + N2      9.47469\n",
      "  10 │ Dpl + H2 --> Hpl + HD      4.46848\n",
      "  11 │ Dpl + O2 --> O2pl + D      2.05822\n",
      "  12 │ Dpl + H --> D + Hpl        1.19811\n",
      "  13 │ Hpl + HD --> Dpl + H2      0.580254\n",
      "  14 │ HDO --> Dpl + OH           0.0319346\n",
      "  15 │ Dpl + NO --> NOpl + D      0.00298752\n",
      "  16 │ Dpl + H2O --> H2Opl + D    0.000218603\n",
      "  17 │ Dpl + H2O --> HDOpl + H    0.000121877\n",
      "\n",
      "For H2DOpl: \n",
      "100% of reactions is 14/14\n",
      "The column rate of top 100.0% of reactions is 267.1541552960093\n",
      "Which equates to 100.0% of the total column rate (267.1541552960093).\n",
      "\n",
      "\u001b[1m14×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                           \u001b[0m\u001b[1m Value       \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                        \u001b[0m\u001b[90m Float64     \u001b[0m\n",
      "─────┼────────────────────────────────────────────\n",
      "   1 │ HCOpl + HDO --> H2DOpl + CO    119.246\n",
      "   2 │ H2DOpl + E --> OD + H + H       39.719\n",
      "   3 │ H2DOpl + E --> OH + D + H       39.719\n",
      "   4 │ H2DOpl + E --> H2O + D          16.5274\n",
      "   5 │ H2DOpl + E --> HDO + H          16.5274\n",
      "   6 │ DCOpl + H2O --> H2DOpl + CO     12.463\n",
      "   7 │ H2DOpl + E --> OD + H2           9.2411\n",
      "   8 │ H2DOpl + E --> OH + HD           9.2411\n",
      "   9 │ HDOpl + H2 --> H2DOpl + H        1.22527\n",
      "  10 │ H2DOpl + E --> H2 + O + D        0.860133\n",
      "  11 │ H2DOpl + E --> HD + O + H        0.860133\n",
      "  12 │ HCO2pl + HDO --> H2DOpl + CO2    0.803133\n",
      "  13 │ H2Opl + HD --> H2DOpl + H        0.662357\n",
      "  14 │ DCO2pl + H2O --> H2DOpl + CO2    0.0588014\n",
      "\n",
      "For H2Dpl: \n",
      "100% of reactions is 7/7\n",
      "The column rate of top 100.0% of reactions is 0.26432856873893157\n",
      "Which equates to 100.0% of the total column rate (0.26432856873893157).\n",
      "\n",
      "\u001b[1m7×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                       \u001b[0m\u001b[1m Value      \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                    \u001b[0m\u001b[90m Float64    \u001b[0m\n",
      "─────┼───────────────────────────────────────\n",
      "   1 │ H2Dpl + CO --> HCOpl + HD  0.0847835\n",
      "   2 │ DOCpl + H2 --> H2Dpl + CO  0.0477414\n",
      "   3 │ ArDpl + H2 --> H2Dpl + Ar  0.0418559\n",
      "   4 │ H2Dpl + CO --> DCOpl + H2  0.041759\n",
      "   5 │ ArHpl + HD --> H2Dpl + Ar  0.0382802\n",
      "   6 │ H2Dpl + H2 --> H3pl + HD   0.00562174\n",
      "   7 │ HDpl + HD --> H2Dpl + D    0.0042868\n",
      "\n",
      "For HDOpl: \n",
      "100% of reactions is 23/23\n",
      "The column rate of top 100.0% of reactions is 313.5074168662531\n",
      "Which equates to 100.0% of the total column rate (313.5074168662531).\n",
      "\n",
      "\u001b[1m23×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                         \u001b[0m\u001b[1m Value         \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                      \u001b[0m\u001b[90m Float64       \u001b[0m\n",
      "─────┼────────────────────────────────────────────\n",
      "   1 │ CO2pl + HDO --> HDOpl + CO2  131.7\n",
      "   2 │ HDOpl + CO --> DCOpl + OH     37.1698\n",
      "   3 │ HDOpl + CO --> HCOpl + OD     37.1698\n",
      "   4 │ HDOpl + O2 --> O2pl + HDO     24.5543\n",
      "   5 │ HDOpl + E --> O + D + H       24.3932\n",
      "   6 │ HDOpl + O --> O2pl + HD       20.5053\n",
      "   7 │ OHpl + HD --> HDOpl + H       20.0046\n",
      "   8 │ ODpl + H2 --> HDOpl + H        4.5858\n",
      "   9 │ HDOpl + E --> OD + H           3.43616\n",
      "  10 │ HDOpl + E --> OH + D           3.43616\n",
      "  11 │ HDOpl + E --> HD + O           3.09606\n",
      "  12 │ HDOpl + H2 --> H2DOpl + H      1.22527\n",
      "  13 │ HDOpl + H2 --> H3Opl + D       1.22527\n",
      "  14 │ Opl + HDO --> HDOpl + O        0.52758\n",
      "  15 │ HDO --> HDOpl                  0.30218\n",
      "  16 │ COpl + HDO --> HDOpl + CO      0.0933668\n",
      "  17 │ N2pl + HDO --> HDOpl + N2      0.035161\n",
      "  18 │ HDOpl + NO --> NOpl + HDO      0.0217685\n",
      "  19 │ HDOpl + N --> HNOpl + D        0.00925532\n",
      "  20 │ HDOpl + N --> NOpl + HD        0.00925532\n",
      "  21 │ Cpl + HDO --> HDOpl + C        0.00632853\n",
      "  22 │ Hpl + HDO --> HDOpl + H        0.000702098\n",
      "  23 │ Dpl + H2O --> HDOpl + H        0.000121877\n",
      "\n",
      "For HDpl: \n",
      "100% of reactions is 15/15\n",
      "The column rate of top 100.0% of reactions is 816.2822496987881\n",
      "Which equates to 100.0% of the total column rate (816.2822496987881).\n",
      "\n",
      "\u001b[1m15×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                       \u001b[0m\u001b[1m Value         \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                    \u001b[0m\u001b[90m Float64       \u001b[0m\n",
      "─────┼──────────────────────────────────────────\n",
      "   1 │ HD --> HDpl                408.143\n",
      "   2 │ HDpl + CO2 --> DCO2pl + H  145.314\n",
      "   3 │ HDpl + CO2 --> HCO2pl + D  145.314\n",
      "   4 │ HDpl + O --> ODpl + H       25.759\n",
      "   5 │ HDpl + O --> OHpl + D       25.759\n",
      "   6 │ HDpl + N2 --> N2Dpl + H     14.2168\n",
      "   7 │ HDpl + N2 --> N2Hpl + D     14.2168\n",
      "   8 │ HDpl + CO --> DCOpl + H     10.9446\n",
      "   9 │ HDpl + CO --> HCOpl + D     10.9446\n",
      "  10 │ HDpl + Ar --> ArHpl + D      8.03077\n",
      "  11 │ HDpl + Ar --> ArDpl + H      6.57063\n",
      "  12 │ HDpl + O2 --> HO2pl + D      0.89338\n",
      "  13 │ HDpl + E --> H + D           0.170984\n",
      "  14 │ HDpl + HD --> H2Dpl + D      0.0042868\n",
      "  15 │ Arpl + HD --> HDpl + Ar      0.000121933\n",
      "\n",
      "For N2Dpl: \n",
      "100% of reactions is 10/10\n",
      "The column rate of top 100.0% of reactions is 410.5327782657466\n",
      "Which equates to 100.00000000000001% of the total column rate (410.5327782657466).\n",
      "\n",
      "\u001b[1m10×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                       \u001b[0m\u001b[1m Value        \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                    \u001b[0m\u001b[90m Float64      \u001b[0m\n",
      "─────┼─────────────────────────────────────────\n",
      "   1 │ N2pl + HD --> N2Dpl + H    172.373\n",
      "   2 │ N2Dpl + CO --> DCOpl + N2  128.83\n",
      "   3 │ N2Dpl + O --> ODpl + N2     71.9107\n",
      "   4 │ ODpl + N2 --> N2Dpl + O     18.1084\n",
      "   5 │ HDpl + N2 --> N2Dpl + H     14.2168\n",
      "   6 │ N2Dpl + E --> N2 + D         4.30468\n",
      "   7 │ ArDpl + N2 --> N2Dpl + Ar    0.352224\n",
      "   8 │ N2Hpl + D --> N2Dpl + H      0.249515\n",
      "   9 │ N2Dpl + H --> N2Hpl + D      0.183649\n",
      "  10 │ N2pl + HDO --> N2Dpl + OH    0.00466346\n",
      "\n",
      "For ODpl: \n",
      "100% of reactions is 13/13\n",
      "The column rate of top 100.0% of reactions is 1968.712975983902\n",
      "Which equates to 100.0% of the total column rate (1968.712975983902).\n",
      "\n",
      "\u001b[1m13×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                       \u001b[0m\u001b[1m Value       \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                    \u001b[0m\u001b[90m Float64     \u001b[0m\n",
      "─────┼────────────────────────────────────────\n",
      "   1 │ Opl + HD --> ODpl + H      886.639\n",
      "   2 │ ODpl + CO2 --> DCO2pl + O  779.744\n",
      "   3 │ ODpl + O --> O2pl + D      140.201\n",
      "   4 │ N2Dpl + O --> ODpl + N2     71.9107\n",
      "   5 │ ODpl + CO --> DCOpl + O     33.6709\n",
      "   6 │ HDpl + O --> ODpl + H       25.759\n",
      "   7 │ ODpl + N2 --> N2Dpl + O     18.1084\n",
      "   8 │ ODpl + H2 --> H2Opl + D      4.5858\n",
      "   9 │ ODpl + H2 --> HDOpl + H      4.5858\n",
      "  10 │ ODpl + O2 --> O2pl + OD      1.81575\n",
      "  11 │ ODpl + E --> O + D           1.46403\n",
      "  12 │ ODpl + N --> NOpl + D        0.17014\n",
      "  13 │ HDO --> ODpl + H             0.0586517\n",
      "\n"
     ]
    }
   ],
   "source": [
    "bigdf_Drxns = DataFrame(Rxn=[], Value=[])\n",
    "\n",
    "# Retrieve 100% of reactions for all species\n",
    "for Dsp in D_bearing_species\n",
    "    # Get the basic df\n",
    "    println(\"For $(Dsp): \")\n",
    "    col_rate_df = get_column_rates_NEW(Dsp, ncur; which=\"all\", Tn=vardict[\"Tn_arr\"][2:end-1], Ti=vardict[\"Ti_arr\"][2:end-1], Te=vardict[\"Te_arr\"][2:end-1], \n",
    "                                   all_species=vardict[\"all_species\"], ion_species=vardict[\"ion_species\"], reaction_network=reaction_network,\n",
    "                                   num_layers, dz)\n",
    "    \n",
    "    thisdf = get_p_pct_of_column(col_rate_df, 1; Tn=vardict[\"Tn_arr\"][2:end-1], Ti=vardict[\"Ti_arr\"][2:end-1], Te=vardict[\"Te_arr\"][2:end-1], \n",
    "                                   all_species=vardict[\"all_species\"], ion_species=vardict[\"ion_species\"], reaction_network=reaction_network,\n",
    "                                   num_layers, dz)\n",
    "    bigdf_Drxns = vcat(bigdf_Drxns, thisdf)\n",
    "    println()\n",
    "end"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 110,
   "id": "94fccdb1-4181-4eae-879e-e7094a61832d",
   "metadata": {
    "scrolled": true,
    "tags": []
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Deuteration options for D + O2 --> DO2\n",
      "H + O2 --> HO2\n",
      "\n",
      "Deuteration options for O + DO2 --> OD + O2\n",
      "O + HO2 --> OH + O2\n",
      "\n",
      "Deuteration options for CO + OD --> CO2 + D\n",
      "CO + OH --> CO2 + H\n",
      "\n",
      "Deuteration options for O + OD --> O2 + D\n",
      "O + OH --> O2 + H\n",
      "\n",
      "Deuteration options for D + O3 --> OD + O2\n",
      "H + O3 --> OH + O2\n",
      "\n",
      "Deuteration options for D + HO2 --> DO2 + H\n",
      "H + HO2 --> HO2 + H\n",
      "\n",
      "Deuteration options for OH + D --> OD + H\n",
      "OH + H --> OH + H\n",
      "\n",
      "Deuteration options for H + DO2 --> OH + OD\n",
      "H + HO2 --> OH + OH\n",
      "\n",
      "Deuteration options for D + HO2 --> OH + OD\n",
      "H + HO2 --> OH + OH\n",
      "\n",
      "Deuteration options for OH + DO2 --> HDO + O2\n",
      "OH + HO2 --> H2O + O2\n",
      "\n",
      "Deuteration options for OD + HO2 --> HDO + O2\n",
      "OH + HO2 --> H2O + O2\n",
      "\n",
      "Deuteration options for HDO --> D + OH\n",
      "H2O --> H + OH\n",
      "\n",
      "Deuteration options for HDO --> H + OD\n",
      "H2O --> H + OH\n",
      "\n",
      "Deuteration options for DO2 + HO2 --> HDO2 + O2\n",
      "HO2 + HO2 --> H2O2 + O2\n",
      "\n",
      "Deuteration options for HDO2 --> OH + OD\n",
      "H2O2 --> OH + OH\n",
      "\n",
      "Deuteration options for DO2 --> OD + O\n",
      "HO2 --> OH + O\n",
      "\n",
      "Deuteration options for O1D + HDO --> OD + OH\n",
      "O1D + H2O --> OH + OH\n",
      "\n",
      "Deuteration options for CO + OD --> DOCO\n",
      "CO + OH --> HOCO\n",
      "\n",
      "Deuteration options for DOCO + O2 --> DO2 + CO2\n",
      "HOCO + O2 --> HO2 + CO2\n",
      "\n",
      "Deuteration options for OH + HD --> HDO + H\n",
      "OH + H2 --> H2O + H\n",
      "\n",
      "Deuteration options for H + DO2 --> HD + O2\n",
      "H + HO2 --> H2 + O2\n",
      "\n",
      "Deuteration options for D + HO2 --> HD + O2\n",
      "H + HO2 --> H2 + O2\n",
      "\n",
      "Deuteration options for OD + H2 --> HDO + H\n",
      "OH + H2 --> H2O + H\n",
      "\n",
      "Deuteration options for H + DO2 --> HDO + O1D\n",
      "H + HO2 --> H2O + O1D\n",
      "\n",
      "Deuteration options for OD + H --> OH + D\n",
      "OH + H --> OH + H\n",
      "\n",
      "Deuteration options for OH + HD --> H2O + D\n",
      "OH + H2 --> H2O + H\n",
      "\n",
      "Deuteration options for D + HO2 --> HDO + O1D\n",
      "H + HO2 --> H2O + O1D\n",
      "\n",
      "Deuteration options for OD + H2O2 --> HDO + HO2\n",
      "OH + H2O2 --> H2O + HO2\n",
      "\n",
      "Deuteration options for H + DO2 --> HO2 + D\n",
      "H + HO2 --> HO2 + H\n",
      "\n",
      "Deuteration options for HDO2 --> HO2 + D\n",
      "H2O2 --> HO2 + H\n",
      "\n",
      "Deuteration options for HDO2 --> DO2 + H\n",
      "H2O2 --> HO2 + H\n",
      "\n",
      "Deuteration options for OH + HDO2 --> H2O + DO2\n",
      "OH + H2O2 --> H2O + HO2\n",
      "\n",
      "Deuteration options for OH + HDO2 --> HDO + HO2\n",
      "OH + H2O2 --> H2O + HO2\n",
      "\n",
      "Deuteration options for DO2 + O3 --> OD + O2 + O2\n",
      "HO2 + O3 --> OH + O2 + O2\n",
      "\n",
      "Deuteration options for HO2 + DO2 + M --> HDO2 + O2 + M\n",
      "HO2 + HO2 + M --> H2O2 + O2 + M\n",
      "\n",
      "Deuteration options for O1D + HD --> D + OH\n",
      "O1D + H2 --> H + OH\n",
      "\n",
      "Deuteration options for O1D + HD --> H + OD\n",
      "O1D + H2 --> H + OH\n",
      "\n",
      "Deuteration options for CO2pl + HD --> HCO2pl + D\n",
      "CO2pl + H2 --> HCO2pl + H\n",
      "\n",
      "Deuteration options for CO2pl + HD --> DCO2pl + H\n",
      "CO2pl + H2 --> HCO2pl + H\n",
      "\n",
      "Deuteration options for DCOpl + E --> CO + D\n",
      "HCOpl + E --> CO + H\n",
      "\n",
      "Deuteration options for OD + O3 --> DO2 + O2\n",
      "OH + O3 --> HO2 + O2\n",
      "\n",
      "Deuteration options for OD + OH --> HDO + O\n",
      "OH + OH --> H2O + O\n",
      "\n",
      "Deuteration options for CO + D --> DCO\n",
      "CO + H --> HCO\n",
      "\n",
      "Deuteration options for H + HD --> H2 + D\n",
      "H + H2 --> H2 + H\n",
      "\n",
      "Deuteration options for DCO + O2 --> DO2 + CO\n",
      "HCO + O2 --> HO2 + CO\n",
      "\n",
      "Deuteration options for O + D --> OD\n",
      "O + H --> OH\n",
      "\n",
      "Deuteration options for DCO2pl + O --> DCOpl + O2\n",
      "HCO2pl + O --> HCOpl + O2\n",
      "\n",
      "Deuteration options for DCO2pl + CO --> DCOpl + CO2\n",
      "HCO2pl + CO --> HCOpl + CO2\n",
      "\n",
      "Deuteration options for CO2pl + D --> DCOpl + O\n",
      "CO2pl + H --> HCOpl + O\n",
      "\n",
      "Deuteration options for HD + O --> OH + D\n",
      "H2 + O --> OH + H\n",
      "\n",
      "Deuteration options for DCO2pl + E --> CO + O + D\n",
      "HCO2pl + E --> CO + O + H\n",
      "\n",
      "Deuteration options for H + D + M --> HD + M\n",
      "H + H + M --> H2 + M\n",
      "\n",
      "Deuteration options for D + H2 --> HD + H\n",
      "H + H2 --> H2 + H\n",
      "\n",
      "Deuteration options for H + OD + CO2 --> HDO + CO2\n",
      "H + OH + CO2 --> H2O + CO2\n",
      "\n",
      "Deuteration options for O + HDO2 --> OH + DO2\n",
      "O + H2O2 --> OH + HO2\n",
      "\n",
      "Deuteration options for O + HDO2 --> OD + HO2\n",
      "O + H2O2 --> OH + HO2\n",
      "\n",
      "Deuteration options for DCOpl + E --> OD + C\n",
      "HCOpl + E --> OH + C\n",
      "\n",
      "Deuteration options for DCO + O2 --> CO2 + OD\n",
      "HCO + O2 --> CO2 + OH\n",
      "\n",
      "Deuteration options for D + OH + CO2 --> HDO + CO2\n",
      "H + OH + CO2 --> H2O + CO2\n",
      "\n",
      "Deuteration options for Opl + HD --> OHpl + D\n",
      "Opl + H2 --> OHpl + H\n",
      "\n",
      "Deuteration options for HD + O --> OD + H\n",
      "H2 + O --> OH + H\n",
      "\n",
      "Deuteration options for CO2pl + D --> Dpl + CO2\n",
      "CO2pl + H --> Hpl + CO2\n",
      "\n",
      "Deuteration options for DCO2pl + E --> CO + OD\n",
      "HCO2pl + E --> CO + OH\n",
      "\n",
      "Deuteration options for Opl + HD --> ODpl + H\n",
      "Opl + H2 --> OHpl + H\n",
      "\n",
      "Deuteration options for Dpl + CO2 --> CO2pl + D\n",
      "Hpl + CO2 --> CO2pl + H\n",
      "\n",
      "Deuteration options for ODpl + CO2 --> DCO2pl + O\n",
      "OHpl + CO2 --> HCO2pl + O\n",
      "\n",
      "Deuteration options for Dpl + CO2 --> DCOpl + O\n",
      "Hpl + CO2 --> HCOpl + O\n",
      "\n",
      "Deuteration options for OD --> O + D\n",
      "OH --> O + H\n",
      "\n",
      "Deuteration options for HCOpl + D --> DCOpl + H\n",
      "HCOpl + H --> HCOpl + H\n",
      "\n",
      "Deuteration options for HD --> HDpl\n",
      "H2 --> H2pl\n",
      "\n",
      "Deuteration options for HD --> H + D\n",
      "H2 --> H + H\n",
      "\n",
      "Deuteration options for DCO + O --> CO2 + D\n",
      "HCO + O --> CO2 + H\n",
      "\n",
      "Deuteration options for DCO + O --> CO + OD\n",
      "HCO + O --> CO + OH\n",
      "\n",
      "Deuteration options for Opl + D --> Dpl + O\n",
      "Opl + H --> Hpl + O\n",
      "\n",
      "Deuteration options for DCO2pl + E --> CO2 + D\n",
      "HCO2pl + E --> CO2 + H\n",
      "\n",
      "Deuteration options for N2pl + HD --> N2Dpl + H\n",
      "N2pl + H2 --> N2Hpl + H\n",
      "\n",
      "Deuteration options for N2pl + HD --> N2Hpl + D\n",
      "N2pl + H2 --> N2Hpl + H\n",
      "\n",
      "Deuteration options for D --> Dpl\n",
      "H --> Hpl\n",
      "\n",
      "Deuteration options for HDpl + CO2 --> HCO2pl + D\n",
      "H2pl + CO2 --> HCO2pl + H\n",
      "\n",
      "Deuteration options for HDpl + CO2 --> DCO2pl + H\n",
      "H2pl + CO2 --> HCO2pl + H\n",
      "\n",
      "Deuteration options for ODpl + O --> O2pl + D\n",
      "OHpl + O --> O2pl + H\n",
      "\n",
      "Deuteration options for CO2pl + HDO --> HDOpl + CO2\n",
      "CO2pl + H2O --> H2Opl + CO2\n",
      "\n",
      "Deuteration options for N2Dpl + CO --> DCOpl + N2\n",
      "N2Hpl + CO --> HCOpl + N2\n",
      "\n",
      "Deuteration options for HCOpl + HDO --> H2DOpl + CO\n",
      "HCOpl + H2O --> H3Opl + CO\n",
      "\n",
      "Deuteration options for OD + OH --> HDO2\n",
      "OH + OH --> H2O2\n",
      "\n",
      "Deuteration options for N2Dpl + O --> ODpl + N2\n",
      "N2Hpl + O --> OHpl + N2\n",
      "\n",
      "Deuteration options for DO2 + N --> NO + OD\n",
      "HO2 + N --> NO + OH\n",
      "\n",
      "Deuteration options for COpl + HD --> HCOpl + D\n",
      "COpl + H2 --> HCOpl + H\n",
      "\n",
      "Deuteration options for COpl + HD --> HOCpl + D\n",
      "COpl + H2 --> HOCpl + H\n",
      "\n",
      "Deuteration options for COpl + HD --> DCOpl + H\n",
      "COpl + H2 --> HCOpl + H\n",
      "\n",
      "Deuteration options for COpl + HD --> DOCpl + H\n",
      "COpl + H2 --> HOCpl + H\n",
      "\n",
      "Deuteration options for DOCpl + E --> OD + C\n",
      "HOCpl + E --> OH + C\n",
      "\n",
      "Deuteration options for HDO --> HD + O1D\n",
      "H2O --> H2 + O1D\n",
      "\n",
      "Deuteration options for HD --> Hpl + D\n",
      "H2 --> Hpl + H\n",
      "\n",
      "Deuteration options for HD --> Dpl + H\n",
      "H2 --> Hpl + H\n",
      "\n",
      "Deuteration options for H2DOpl + E --> OH + D + H\n",
      "H3Opl + E --> OH + H + H\n",
      "\n",
      "Deuteration options for H2DOpl + E --> OD + H + H\n",
      "H3Opl + E --> OH + H + H\n",
      "\n",
      "Deuteration options for D + H2O2 --> H2O + OD\n",
      "H + H2O2 --> H2O + OH\n",
      "\n",
      "Deuteration options for D + H2O2 --> HDO + OH\n",
      "H + H2O2 --> H2O + OH\n",
      "\n",
      "Deuteration options for HDOpl + CO --> HCOpl + OD\n",
      "H2Opl + CO --> HCOpl + OH\n",
      "\n",
      "Deuteration options for HDOpl + CO --> DCOpl + OH\n",
      "H2Opl + CO --> HCOpl + OH\n",
      "\n",
      "Deuteration options for DCOpl + H --> HCOpl + D\n",
      "HCOpl + H --> HCOpl + H\n",
      "\n",
      "Deuteration options for ODpl + CO --> DCOpl + O\n",
      "OHpl + CO --> HCOpl + O\n",
      "\n",
      "Deuteration options for H + HDO2 --> HDO + OH\n",
      "H + H2O2 --> H2O + OH\n",
      "\n",
      "Deuteration options for H + HDO2 --> H2O + OD\n",
      "H + H2O2 --> H2O + OH\n",
      "\n",
      "Deuteration options for HDpl + O --> OHpl + D\n",
      "H2pl + O --> OHpl + H\n",
      "\n",
      "Deuteration options for HDpl + O --> ODpl + H\n",
      "H2pl + O --> OHpl + H\n",
      "\n",
      "Deuteration options for HDOpl + O2 --> O2pl + HDO\n",
      "H2Opl + O2 --> O2pl + H2O\n",
      "\n",
      "Deuteration options for HDOpl + E --> O + D + H\n",
      "H2Opl + E --> O + H + H\n",
      "\n",
      "Deuteration options for HDOpl + O --> O2pl + HD\n",
      "H2Opl + O --> O2pl + H2\n",
      "\n",
      "Deuteration options for OHpl + HD --> H2Opl + D\n",
      "OHpl + H2 --> H2Opl + H\n",
      "\n",
      "Deuteration options for OHpl + HD --> HDOpl + H\n",
      "OHpl + H2 --> H2Opl + H\n",
      "\n",
      "Deuteration options for ODpl + N2 --> N2Dpl + O\n",
      "OHpl + N2 --> N2Hpl + O\n",
      "\n",
      "Deuteration options for H2DOpl + E --> H2O + D\n",
      "H3Opl + E --> H2O + H\n",
      "\n",
      "Deuteration options for H2DOpl + E --> HDO + H\n",
      "H3Opl + E --> H2O + H\n",
      "\n",
      "Deuteration options for HDpl + N2 --> N2Hpl + D\n",
      "H2pl + N2 --> N2Hpl + H\n",
      "\n",
      "Deuteration options for HDpl + N2 --> N2Dpl + H\n",
      "H2pl + N2 --> N2Hpl + H\n",
      "\n",
      "Deuteration options for DCOpl + H2O --> H2DOpl + CO\n",
      "HCOpl + H2O --> H3Opl + CO\n",
      "\n",
      "Deuteration options for Dpl + O --> D + Opl\n",
      "Hpl + O --> H + Opl\n",
      "\n",
      "Deuteration options for CO2pl + HDO --> DCO2pl + OH\n",
      "CO2pl + H2O --> HCO2pl + OH\n",
      "\n",
      "Deuteration options for CO2pl + HDO --> HCO2pl + OD\n",
      "CO2pl + H2O --> HCO2pl + OH\n",
      "\n",
      "Deuteration options for HDpl + CO --> HCOpl + D\n",
      "H2pl + CO --> HCOpl + H\n",
      "\n",
      "Deuteration options for HDpl + CO --> DCOpl + H\n",
      "H2pl + CO --> HCOpl + H\n",
      "\n",
      "Deuteration options for COpl + D --> Dpl + CO\n",
      "COpl + H --> Hpl + CO\n",
      "\n",
      "Deuteration options for N2pl + D --> Dpl + N2\n",
      "N2pl + H --> Hpl + N2\n",
      "\n",
      "Deuteration options for H2DOpl + E --> OH + HD\n",
      "H3Opl + E --> OH + H2\n",
      "\n",
      "Deuteration options for H2DOpl + E --> OD + H2\n",
      "H3Opl + E --> OH + H2\n",
      "\n",
      "Deuteration options for HDpl + Ar --> ArHpl + D\n",
      "H2pl + Ar --> ArHpl + H\n",
      "\n",
      "Deuteration options for DCO + H --> CO + HD\n",
      "HCO + H --> CO + H2\n",
      "\n",
      "Deuteration options for HDpl + Ar --> ArDpl + H\n",
      "H2pl + Ar --> ArHpl + H\n",
      "\n",
      "Deuteration options for ArDpl + CO2 --> DCO2pl + Ar\n",
      "ArHpl + CO2 --> HCO2pl + Ar\n",
      "\n",
      "Deuteration options for HCO + D --> CO + HD\n",
      "HCO + H --> CO + H2\n",
      "\n",
      "Deuteration options for DOCpl + CO --> DCOpl + CO\n",
      "HOCpl + CO --> HCOpl + CO\n",
      "\n",
      "Deuteration options for ODpl + H2 --> H2Opl + D\n",
      "OHpl + H2 --> H2Opl + H\n",
      "\n",
      "Deuteration options for ODpl + H2 --> HDOpl + H\n",
      "OHpl + H2 --> H2Opl + H\n",
      "\n",
      "Deuteration options for Dpl + H2 --> Hpl + HD\n",
      "Hpl + H2 --> Hpl + H2\n",
      "\n",
      "Deuteration options for N2Dpl + E --> N2 + D\n",
      "N2Hpl + E --> N2 + H\n",
      "\n",
      "Deuteration options for HDOpl + E --> OH + D\n",
      "H2Opl + E --> OH + H\n",
      "\n",
      "Deuteration options for HDOpl + E --> OD + H\n",
      "H2Opl + E --> OH + H\n",
      "\n",
      "Deuteration options for HDOpl + E --> HD + O\n",
      "H2Opl + E --> H2 + O\n",
      "\n",
      "Deuteration options for Npl + HD --> NHpl + D\n",
      "Npl + H2 --> NHpl + H\n",
      "\n",
      "Deuteration options for Dpl + O2 --> O2pl + D\n",
      "Hpl + O2 --> O2pl + H\n",
      "\n",
      "Deuteration options for ODpl + O2 --> O2pl + OD\n",
      "OHpl + O2 --> O2pl + OH\n",
      "\n",
      "Deuteration options for ODpl + E --> O + D\n",
      "OHpl + E --> O + H\n",
      "\n",
      "Deuteration options for HDOpl + H2 --> H3Opl + D\n",
      "H2Opl + H2 --> H3Opl + H\n",
      "\n",
      "Deuteration options for HDOpl + H2 --> H2DOpl + H\n",
      "H2Opl + H2 --> H3Opl + H\n",
      "\n",
      "Deuteration options for Dpl + H --> D + Hpl\n",
      "Hpl + H --> H + Hpl\n",
      "\n",
      "Deuteration options for HDpl + O2 --> HO2pl + D\n",
      "H2pl + O2 --> HO2pl + H\n",
      "\n",
      "Deuteration options for H2DOpl + E --> H2 + O + D\n",
      "H3Opl + E --> H2 + O + H\n",
      "\n",
      "Deuteration options for H2DOpl + E --> HD + O + H\n",
      "H3Opl + E --> H2 + O + H\n",
      "\n",
      "Deuteration options for HCO2pl + HDO --> H2DOpl + CO2\n",
      "HCO2pl + H2O --> H3Opl + CO2\n",
      "\n",
      "Deuteration options for H2Opl + HD --> H3Opl + D\n",
      "H2Opl + H2 --> H3Opl + H\n",
      "\n",
      "Deuteration options for H2Opl + HD --> H2DOpl + H\n",
      "H2Opl + H2 --> H3Opl + H\n",
      "\n",
      "Deuteration options for Hpl + HD --> Dpl + H2\n",
      "Hpl + H2 --> Hpl + H2\n",
      "\n",
      "Deuteration options for Opl + HDO --> HDOpl + O\n",
      "Opl + H2O --> H2Opl + O\n",
      "\n",
      "Deuteration options for ArDpl + CO --> DCOpl + Ar\n",
      "ArHpl + CO --> HCOpl + Ar\n",
      "\n",
      "Deuteration options for ArDpl + N2 --> N2Dpl + Ar\n",
      "ArHpl + N2 --> N2Hpl + Ar\n",
      "\n",
      "Deuteration options for HDO --> HDOpl\n",
      "H2O --> H2Opl\n",
      "\n",
      "Deuteration options for N2Hpl + D --> N2Dpl + H\n",
      "N2Hpl + H --> N2Hpl + H\n",
      "\n",
      "Deuteration options for N2Dpl + H --> N2Hpl + D\n",
      "N2Hpl + H --> N2Hpl + H\n",
      "\n",
      "Deuteration options for HOCO + OD --> CO2 + HDO\n",
      "HOCO + OH --> CO2 + H2O\n",
      "\n",
      "Deuteration options for HDpl + E --> H + D\n",
      "H2pl + E --> H + H\n",
      "\n",
      "Deuteration options for ODpl + N --> NOpl + D\n",
      "OHpl + N --> NOpl + H\n",
      "\n",
      "Deuteration options for DOCO + OH --> CO2 + HDO\n",
      "HOCO + OH --> CO2 + H2O\n",
      "\n",
      "Deuteration options for COpl + HDO --> HDOpl + CO\n",
      "COpl + H2O --> H2Opl + CO\n",
      "\n",
      "Deuteration options for H2Dpl + CO --> HCOpl + HD\n",
      "H3pl + CO --> HCOpl + H2\n",
      "\n",
      "Deuteration options for DCO2pl + H2O --> H2DOpl + CO2\n",
      "HCO2pl + H2O --> H3Opl + CO2\n",
      "\n",
      "Deuteration options for HDO --> OHpl + D\n",
      "H2O --> OHpl + H\n",
      "\n",
      "Deuteration options for HDO --> ODpl + H\n",
      "H2O --> OHpl + H\n",
      "\n",
      "Deuteration options for DOCpl + H2 --> H2Dpl + CO\n",
      "HOCpl + H2 --> H3pl + CO\n",
      "\n",
      "Deuteration options for ArDpl + H2 --> H2Dpl + Ar\n",
      "ArHpl + H2 --> H3pl + Ar\n",
      "\n",
      "Deuteration options for H2Dpl + CO --> DCOpl + H2\n",
      "H3pl + CO --> HCOpl + H2\n",
      "\n",
      "Deuteration options for ArHpl + HD --> H2Dpl + Ar\n",
      "ArHpl + H2 --> H3pl + Ar\n",
      "\n",
      "Deuteration options for DOCpl + H2 --> HCOpl + HD\n",
      "HOCpl + H2 --> HCOpl + H2\n",
      "\n",
      "Deuteration options for N2pl + HDO --> HDOpl + N2\n",
      "N2pl + H2O --> H2Opl + N2\n",
      "\n",
      "Deuteration options for OD --> O1D + D\n",
      "OH --> O1D + H\n",
      "\n",
      "Deuteration options for HDO --> Dpl + OH\n",
      "H2O --> Hpl + OH\n",
      "\n",
      "Deuteration options for HDO --> Hpl + OD\n",
      "H2O --> Hpl + OH\n",
      "\n",
      "Deuteration options for DCO + OH --> HDO + CO\n",
      "HCO + OH --> H2O + CO\n",
      "\n",
      "Deuteration options for HCO + OD --> HDO + CO\n",
      "HCO + OH --> H2O + CO\n",
      "\n",
      "Deuteration options for COpl + HDO --> DCOpl + OH\n",
      "COpl + H2O --> HCOpl + OH\n",
      "\n",
      "Deuteration options for COpl + HDO --> HCOpl + OD\n",
      "COpl + H2O --> HCOpl + OH\n",
      "\n",
      "Deuteration options for HDOpl + NO --> NOpl + HDO\n",
      "H2Opl + NO --> NOpl + H2O\n",
      "\n",
      "Deuteration options for ArDpl + H2 --> ArHpl + HD\n",
      "ArHpl + H2 --> ArHpl + H2\n",
      "\n",
      "Deuteration options for Cpl + HDO --> HOCpl + D\n",
      "Cpl + H2O --> HOCpl + H\n",
      "\n",
      "Deuteration options for Cpl + HDO --> DOCpl + H\n",
      "Cpl + H2O --> HOCpl + H\n",
      "\n",
      "Deuteration options for HDOpl + N --> HNOpl + D\n",
      "H2Opl + N --> HNOpl + H\n",
      "\n",
      "Deuteration options for HDOpl + N --> NOpl + HD\n",
      "H2Opl + N --> NOpl + H2\n",
      "\n",
      "Deuteration options for Cpl + HDO --> HCOpl + D\n",
      "Cpl + H2O --> HCOpl + H\n",
      "\n",
      "Deuteration options for Cpl + HDO --> DCOpl + H\n",
      "Cpl + H2O --> HCOpl + H\n",
      "\n",
      "Deuteration options for Cpl + HDO --> HDOpl + C\n",
      "Cpl + H2O --> H2Opl + C\n",
      "\n",
      "Deuteration options for H2Dpl + H2 --> H3pl + HD\n",
      "H3pl + H2 --> H3pl + H2\n",
      "\n",
      "Deuteration options for HDO --> Opl + HD\n",
      "H2O --> Opl + H2\n",
      "\n",
      "Deuteration options for N2pl + HDO --> N2Dpl + OH\n",
      "N2pl + H2O --> N2Hpl + OH\n",
      "\n",
      "Deuteration options for N2pl + HDO --> N2Hpl + OD\n",
      "N2pl + H2O --> N2Hpl + OH\n",
      "\n",
      "Deuteration options for HDpl + HD --> H2Dpl + D\n",
      "\n",
      "Deuteration options for Dpl + NO --> NOpl + D\n",
      "Hpl + NO --> NOpl + H\n",
      "\n",
      "Deuteration options for Arpl + HD --> ArDpl + H\n",
      "Arpl + H2 --> ArHpl + H\n",
      "\n",
      "Deuteration options for Arpl + HD --> ArHpl + D\n",
      "Arpl + H2 --> ArHpl + H\n",
      "\n",
      "Deuteration options for Hpl + HDO --> H2Opl + D\n",
      "Hpl + H2O --> H2Opl + H\n",
      "\n",
      "Deuteration options for Hpl + HDO --> HDOpl + H\n",
      "Hpl + H2O --> H2Opl + H\n",
      "\n",
      "Deuteration options for Dpl + H2O --> H2Opl + D\n",
      "Hpl + H2O --> H2Opl + H\n",
      "\n",
      "Deuteration options for Arpl + HD --> HDpl + Ar\n",
      "Arpl + H2 --> H2pl + Ar\n",
      "\n",
      "Deuteration options for Dpl + H2O --> HDOpl + H\n",
      "Hpl + H2O --> H2Opl + H\n",
      "\n",
      "Deuteration options for Cpl + HD --> CHpl + D\n",
      "Cpl + H2 --> CHpl + H\n",
      "\n",
      "Deuteration options for HDO --> H + D + O\n",
      "H2O --> H + H + O\n",
      "\n",
      "Deuteration options for HDO2 --> HDO + O1D\n",
      "H2O2 --> H2O + O1D\n",
      "\n"
     ]
    },
    {
     "data": {
      "text/plain": [
       "142-element Vector{Any}:\n",
       " [[:H, :O2], [:HO2]]\n",
       " [[:O, :HO2], [:OH, :O2]]\n",
       " [[:CO, :OH], [:CO2, :H]]\n",
       " [[:O, :OH], [:O2, :H]]\n",
       " [[:H, :O3], [:OH, :O2]]\n",
       " [[:H, :HO2], [:HO2, :H]]\n",
       " [[:OH, :H], [:OH, :H]]\n",
       " [[:H, :HO2], [:OH, :OH]]\n",
       " [[:OH, :HO2], [:H2O, :O2]]\n",
       " [[:H2O], [:H, :OH]]\n",
       " [[:HO2, :HO2], [:H2O2, :O2]]\n",
       " [[:H2O2], [:OH, :OH]]\n",
       " [[:HO2], [:OH, :O]]\n",
       " ⋮\n",
       " [[:Cpl, :H2O], [:HCOpl, :H]]\n",
       " [[:Cpl, :H2O], [:H2Opl, :C]]\n",
       " [[:H3pl, :H2], [:H3pl, :H2]]\n",
       " [[:H2O], [:Opl, :H2]]\n",
       " [[:N2pl, :H2O], [:N2Hpl, :OH]]\n",
       " [[:Hpl, :NO], [:NOpl, :H]]\n",
       " [[:Arpl, :H2], [:ArHpl, :H]]\n",
       " [[:Hpl, :H2O], [:H2Opl, :H]]\n",
       " [[:Arpl, :H2], [:H2pl, :Ar]]\n",
       " [[:Cpl, :H2], [:CHpl, :H]]\n",
       " [[:H2O], [:H, :H, :O]]\n",
       " [[:H2O2], [:H2O, :O1D]]"
      ]
     },
     "execution_count": 110,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "bigdf_Drxns_sorted_uniques = unique(sort(bigdf_Drxns, [:Value], rev=true))\n",
    "\n",
    "back_to_H_version = unique(translate_D_and_H(bigdf_Drxns_sorted_uniques.\"Rxn\"; D_to_H=true))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 122,
   "id": "6b4c0667-9046-4cab-b4df-2aa909d93df4",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Missing 10 reactions\n",
      "These are the ones I couldn't find, suspiciously\n",
      "Any[[[:H, :HO2], [:HO2, :H]], [[:OH, :H], [:OH, :H]], [[:H, :H2], [:H2, :H]], [[:Hpl, :CO2], [:CO2pl, :H]], [[:HCOpl, :H], [:HCOpl, :H]], [[:N2pl, :H], [:Hpl, :N2]], [[:Hpl, :H2], [:Hpl, :H2]], [[:N2Hpl, :H], [:N2Hpl, :H]], [[:ArHpl, :H2], [:ArHpl, :H2]], [[:H3pl, :H2], [:H3pl, :H2]]]\n",
      "\n"
     ]
    },
    {
     "data": {
      "text/plain": [
       "134-element Vector{Any}:\n",
       " Any[[:H, :O2], [:HO2], :((((1.4613e-28 .* Tn .^ -1.3) .* M) ./ (1 .+ ((1.4613e-28 .* Tn .^ -1.3) .* M) ./ (2.39683e-11 .* Tn .^ 0.2))) .* 0.6 .^ ((1 .+ log10.(((1.4613e-28 .* Tn .^ -1.3) .* M) ./ (2.39683e-11 .* Tn .^ 0.2)) .^ 2) .^ -1.0))]\n",
       " Any[[:HO2, :O], [:O2, :OH], :(3.0e-11 .* exp.(200 ./ Tn))]\n",
       " Any[[:CO, :OH], [:CO2, :H], :(((4.89574181180489e-15 .* Tn .^ 0.6) ./ (1 .+ (4.89574181180489e-15 .* Tn .^ 0.6) ./ ((1.62846954489706e-6 .* Tn .^ 6.1) ./ M))) .* 0.6 .^ ((1 .+ log10.((4.89574181180489e-15 .* Tn .^ 0.6) ./ ((1.62846954489706e-6 .* Tn .^ 6.1) .* M)) .^ 2) .^ -1.0))]\n",
       " Any[[:OH, :O], [:O2, :H], :(1.8e-11 .* exp.(180 ./ Tn))]\n",
       " Any[[:O3, :H], [:O2, :OH], :(1.4e-10 .* exp.(-470 ./ Tn))]\n",
       " Any[[:HO2, :H], [:OH, :OH], 7.2e-11]\n",
       " Any[[:HO2, :OH], [:H2O, :O2], :(4.8e-11 .* exp.(250 ./ Tn))]\n",
       " Any[[:H2O], [:H, :OH], :JH2OtoHpOH]\n",
       " Any[[:HO2, :HO2], [:H2O2, :O2], :(3.0e-13 .* exp.(460 ./ Tn))]\n",
       " Any[[:H2O2], [:OH, :OH], :JH2O2toOHpOH]\n",
       " Any[[:HO2], [:OH, :O], :JHO2toOHpO]\n",
       " Any[[:O1D, :H2O], [:OH, :OH], :(1.63e-10 .* exp.(60 ./ Tn))]\n",
       " Any[[:CO, :OH], [:HOCO], :((((1.73309260137893e-29 .* Tn .^ -1.4) .* M) ./ (1 .+ ((1.73309260137893e-29 .* Tn .^ -1.4) .* M) ./ (6.62422467428728e-16 .* Tn .^ 1.3))) .* 0.6 .^ ((1 .+ log10.(((1.73309260137893e-29 .* Tn .^ -1.4) .* M) ./ (6.62422467428728e-16 .* Tn .^ 1.3)) .^ 2) .^ -1.0))]\n",
       " ⋮\n",
       " Any[[:H2Opl, :N], [:NOpl, :H2], 2.8e-11]\n",
       " Any[[:Cpl, :H2O], [:HCOpl, :H], :(1.56e-8 .* Ti .^ -0.5)]\n",
       " Any[[:Cpl, :H2O], [:H2Opl, :C], 2.4e-10]\n",
       " Any[[:H2O], [:Opl, :H2], :JH2OtoOplpH2]\n",
       " Any[[:N2pl, :H2O], [:N2Hpl, :OH], 5.04e-10]\n",
       " Any[[:Hpl, :NO], [:NOpl, :H], 1.9e-9]\n",
       " Any[[:Arpl, :H2], [:ArHpl, :H], 8.72e-10]\n",
       " Any[[:Hpl, :H2O], [:H2Opl, :H], 8.2e-9]\n",
       " Any[[:Arpl, :H2], [:H2pl, :Ar], 1.78e-11]\n",
       " Any[[:Cpl, :H2], [:CHpl, :H], :(7.4e-10 .* exp.(-4537 ./ Ti))]\n",
       " Any[[:H2O], [:H, :H, :O], :JH2OtoHpHpO]\n",
       " Any[[:H2O2], [:H2O, :O1D], :JH2O2toH2OpO1D]"
      ]
     },
     "execution_count": 122,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "# Retrieve the list of reactions from the network with the rates\n",
    "\n",
    "reconstructed_H_network = reactions_present(back_to_H_version; return_found=true, reaction_network)"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "2ccd83a2-a1ee-4bde-9880-6e08d36482f8",
   "metadata": {},
   "source": [
    "I've decided I don't care about those 10 reactions. I'll just calculate the percent of the total rate for the found ones and call it a day"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "03690cd4-349b-4806-ad68-fd1230434d27",
   "metadata": {},
   "source": [
    "## Send the reconstructed H diagram back into the column rates calculator..."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 125,
   "id": "63636970-eaf1-4d3e-aecb-57efbd6e42be",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "23-element Vector{Symbol}:\n",
       " :ArHpl\n",
       " :CHpl\n",
       " :H\n",
       " :H2\n",
       " :H2O\n",
       " :H2O2\n",
       " :H2Opl\n",
       " :H2pl\n",
       " :H3Opl\n",
       " :H3pl\n",
       " :HCO\n",
       " :HCO2pl\n",
       " :HCOpl\n",
       " :HNOpl\n",
       " :HO2\n",
       " :HO2pl\n",
       " :HOCO\n",
       " :HOCpl\n",
       " :Hpl\n",
       " :N2Hpl\n",
       " :NHpl\n",
       " :OH\n",
       " :OHpl"
      ]
     },
     "execution_count": 125,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "species_with_ONLY_H = setdiff(H_bearing_species, D_bearing_species)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 140,
   "id": "2aa9c29d-a7c0-4c48-ae93-d6a061d106ed",
   "metadata": {
    "scrolled": true,
    "tags": []
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "For ArHpl: \n",
      "100% of reactions is 6/6\n",
      "The column rate of top 100.0% of reactions is 9468.91689737013\n",
      "Which equates to 100.0% of the total column rate (9468.91689737013).\n",
      "\n",
      "\u001b[1m6×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                         \u001b[0m\u001b[1m Value      \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                      \u001b[0m\u001b[90m Float64    \u001b[0m\n",
      "─────┼─────────────────────────────────────────\n",
      "   1 │ H2pl + Ar --> ArHpl + H      4987.98\n",
      "   2 │ ArHpl + CO2 --> HCO2pl + Ar  3882.06\n",
      "   3 │ ArHpl + N2 --> N2Hpl + Ar     314.979\n",
      "   4 │ ArHpl + CO --> HCOpl + Ar     261.359\n",
      "   5 │ ArHpl + H2 --> H3pl + Ar       20.952\n",
      "   6 │ Arpl + H2 --> ArHpl + H         1.58559\n",
      "\n",
      "For CHpl: \n",
      "100% of reactions is 1/1\n",
      "The column rate of top 100.0% of reactions is 4.352715331858977\n",
      "Which equates to 100.0% of the total column rate (4.352715331858977).\n",
      "\n",
      "\u001b[1m1×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                   \u001b[0m\u001b[1m Value   \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                \u001b[0m\u001b[90m Float64 \u001b[0m\n",
      "─────┼────────────────────────────────\n",
      "   1 │ Cpl + H2 --> CHpl + H  4.35272\n",
      "\n",
      "For H: \n",
      "100% of reactions is 68/68\n",
      "The column rate of top 100.0% of reactions is 3.2003297182631123e12\n",
      "Which equates to 100.0% of the total column rate (3.2003297182631123e12).\n",
      "\n",
      "\u001b[1m68×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                        \u001b[0m\u001b[1m Value          \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                     \u001b[0m\u001b[90m Float64        \u001b[0m\n",
      "─────┼────────────────────────────────────────────\n",
      "   1 │ H + O2 --> HO2                  1.4822e12\n",
      "   2 │ CO + OH --> CO2 + H             1.344e12\n",
      "   3 │ OH + O --> O2 + H               2.05675e11\n",
      "   4 │ O3 + H --> O2 + OH              8.61523e10\n",
      "   5 │ HO2 + H --> OH + OH             4.35459e10\n",
      "   6 │ H2O --> H + OH                  3.24901e10\n",
      "   7 │ HO2 + H --> O2 + H2             2.08658e9\n",
      "   8 │ OH + H2 --> H2O + H             1.61533e9\n",
      "   9 │ H2O2 --> HO2 + H                1.07813e9\n",
      "  10 │ HO2 + H --> H2O + O1D           9.67687e8\n",
      "  11 │ HCOpl + E --> CO + H            1.42594e8\n",
      "  12 │ O1D + H2 --> OH + H             1.32058e8\n",
      "  13 │ CO2pl + H2 --> HCO2pl + H       1.27302e8\n",
      "  14 │ CO + H --> HCO                  2.61704e7\n",
      "  15 │ CO2pl + H --> HCOpl + O         2.19129e7\n",
      "  16 │ O + H --> OH                    1.91269e7\n",
      "  17 │ H2 + O --> OH + H               1.87528e7\n",
      "  18 │ HCO2pl + E --> CO + O + H       5.32587e6\n",
      "  19 │ H + H + M --> H2 + M            4.65615e6\n",
      "  20 │ OH + H + CO2 --> H2O + CO2      3.69939e6\n",
      "  21 │ CO2pl + H --> Hpl + CO2         2.69285e6\n",
      "  22 │ Opl + H2 --> OHpl + H           1.75584e6\n",
      "  23 │ H + H2O2 --> H2O + OH           1.42154e6\n",
      "  24 │ H2O2 + H --> H2O + OH           1.42154e6\n",
      "  25 │ OH --> O + H                    1.39357e6\n",
      "  26 │ HCO2pl + E --> CO2 + H          3.91608e5\n",
      "  27 │ HCO + O --> CO2 + H             3.41079e5\n",
      "  28 │ Opl + H --> Hpl + O             2.97234e5\n",
      "  29 │ N2pl + H2 --> N2Hpl + H         2.96692e5\n",
      "  30 │ OHpl + O --> O2pl + H           2.76386e5\n",
      "  31 │ H2pl + CO2 --> HCO2pl + H       1.9573e5\n",
      "  32 │ COpl + H2 --> HCOpl + H         1.94077e5\n",
      "  33 │ COpl + H2 --> HOCpl + H         1.94077e5\n",
      "  34 │ H2 --> H + H                    1.8797e5\n",
      "  35 │ H --> Hpl                       1.49971e5\n",
      "  36 │ COpl + H --> Hpl + CO       43545.9\n",
      "  37 │ H2pl + O --> OHpl + H       40705.8\n",
      "  38 │ H3Opl + E --> OH + H + H    37518.2\n",
      "  39 │ Hpl + O --> Opl + H         36879.9\n",
      "  40 │ H2 --> Hpl + H              31867.5\n",
      "  41 │ H2pl + N2 --> N2Hpl + H     20752.5\n",
      "  42 │ OHpl + H2 --> H2Opl + H     18653.6\n",
      "  43 │ H2pl + CO --> HCOpl + H     15991.5\n",
      "  44 │ H3Opl + E --> H2O + H       15611.6\n",
      "  45 │ HCO + H --> CO + H2         14080.3\n",
      "  46 │ Npl + H2 --> NHpl + H        8746.9\n",
      "  47 │ H2Opl + E --> O + H + H      7021.99\n",
      "  48 │ H2pl + Ar --> ArHpl + H      4987.98\n",
      "  49 │ Hpl + O2 --> O2pl + H        4762.93\n",
      "  50 │ N2Hpl + E --> N2 + H         4470.32\n",
      "  51 │ OHpl + E --> O + H           2843.25\n",
      "  52 │ Hpl + H --> H + Hpl          2641.17\n",
      "  53 │ H2Opl + H2 --> H3Opl + H     2378.58\n",
      "  54 │ H2Opl + E --> OH + H         1978.31\n",
      "  55 │ H2pl + O2 --> HO2pl + H      1273.19\n",
      "  56 │ H3Opl + E --> H2 + O + H      812.475\n",
      "  57 │ OHpl + N --> NOpl + H         337.164\n",
      "  58 │ H2pl + E --> H + H             92.4611\n",
      "  59 │ OH --> O1D + H                 52.9651\n",
      "  60 │ H2O --> OHpl + H               31.6029\n",
      "  61 │ Cpl + H2O --> HOCpl + H        30.8976\n",
      "  62 │ Cpl + H2O --> HCOpl + H        15.0817\n",
      "  63 │ H2Opl + N --> HNOpl + H        11.8444\n",
      "  64 │ Hpl + NO --> NOpl + H           9.26618\n",
      "  65 │ Cpl + H2 --> CHpl + H           4.35272\n",
      "  66 │ Arpl + H2 --> ArHpl + H         1.58559\n",
      "  67 │ Hpl + H2O --> H2Opl + H         0.848848\n",
      "  68 │ H2O --> H + H + O               0.0\n",
      "\n",
      "For H2: \n",
      "100% of reactions is 31/31\n",
      "The column rate of top 100.0% of reactions is 3.9877563797734885e9\n",
      "Which equates to 100.0% of the total column rate (3.9877563797734885e9).\n",
      "\n",
      "\u001b[1m31×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                       \u001b[0m\u001b[1m Value         \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                    \u001b[0m\u001b[90m Float64       \u001b[0m\n",
      "─────┼──────────────────────────────────────────\n",
      "   1 │ HO2 + H --> O2 + H2            2.08658e9\n",
      "   2 │ OH + H2 --> H2O + H            1.61533e9\n",
      "   3 │ O1D + H2 --> OH + H            1.32058e8\n",
      "   4 │ CO2pl + H2 --> HCO2pl + H      1.27302e8\n",
      "   5 │ H2 + O --> OH + H              1.87528e7\n",
      "   6 │ H + H + M --> H2 + M           4.65615e6\n",
      "   7 │ Opl + H2 --> OHpl + H          1.75584e6\n",
      "   8 │ N2pl + H2 --> N2Hpl + H        2.96692e5\n",
      "   9 │ H2 --> H2pl                    2.86808e5\n",
      "  10 │ COpl + H2 --> HCOpl + H        1.94077e5\n",
      "  11 │ COpl + H2 --> HOCpl + H        1.94077e5\n",
      "  12 │ H2 --> H + H                   1.8797e5\n",
      "  13 │ H2O --> H2 + O1D           77580.8\n",
      "  14 │ H2 --> Hpl + H             31867.5\n",
      "  15 │ OHpl + H2 --> H2Opl + H    18653.6\n",
      "  16 │ HCO + H --> CO + H2        14080.3\n",
      "  17 │ Npl + H2 --> NHpl + H       8746.9\n",
      "  18 │ H3Opl + E --> OH + H2       8729.07\n",
      "  19 │ H2Opl + O --> O2pl + H2     5514.01\n",
      "  20 │ H2Opl + H2 --> H3Opl + H    2378.58\n",
      "  21 │ H2Opl + E --> H2 + O         891.252\n",
      "  22 │ H3Opl + E --> H2 + O + H     812.475\n",
      "  23 │ H3pl + CO --> HCOpl + H2     117.363\n",
      "  24 │ HOCpl + H2 --> HCOpl + H2    105.09\n",
      "  25 │ HOCpl + H2 --> H3pl + CO      74.116\n",
      "  26 │ ArHpl + H2 --> H3pl + Ar      20.952\n",
      "  27 │ Cpl + H2 --> CHpl + H          4.35272\n",
      "  28 │ H2Opl + N --> NOpl + H2        2.96111\n",
      "  29 │ H2O --> Opl + H2               2.69162\n",
      "  30 │ Arpl + H2 --> ArHpl + H        1.58559\n",
      "  31 │ Arpl + H2 --> H2pl + Ar        0.0323665\n",
      "\n",
      "For H2O: \n",
      "100% of reactions is 35/35\n",
      "The column rate of top 100.0% of reactions is 6.848364261242726e10\n",
      "Which equates to 100.0% of the total column rate (6.848364261242726e10).\n",
      "\n",
      "\u001b[1m35×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                          \u001b[0m\u001b[1m Value          \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                       \u001b[0m\u001b[90m Float64        \u001b[0m\n",
      "─────┼──────────────────────────────────────────────\n",
      "   1 │ H2O --> H + OH                    3.24901e10\n",
      "   2 │ HO2 + OH --> H2O + O2             3.06452e10\n",
      "   3 │ O1D + H2O --> OH + OH             1.62693e9\n",
      "   4 │ OH + H2 --> H2O + H               1.61533e9\n",
      "   5 │ OH + H2O2 --> H2O + HO2           1.09603e9\n",
      "   6 │ HO2 + H --> H2O + O1D             9.67687e8\n",
      "   7 │ OH + OH --> H2O + O               3.56231e7\n",
      "   8 │ OH + H + CO2 --> H2O + CO2        3.69939e6\n",
      "   9 │ H + H2O2 --> H2O + OH             1.42154e6\n",
      "  10 │ H2O2 + H --> H2O + OH             1.42154e6\n",
      "  11 │ H2O --> H2 + O1D              77580.8\n",
      "  12 │ HCOpl + H2O --> H3Opl + CO    60708.7\n",
      "  13 │ CO2pl + H2O --> H2Opl + CO2   31542.2\n",
      "  14 │ CO2pl + H2O --> HCO2pl + OH   23211.5\n",
      "  15 │ H3Opl + E --> H2O + H         15611.6\n",
      "  16 │ H2Opl + O2 --> O2pl + H2O      4391.36\n",
      "  17 │ HOCO + OH --> CO2 + H2O         553.155\n",
      "  18 │ HCO2pl + H2O --> H3Opl + CO2    433.383\n",
      "  19 │ Opl + H2O --> H2Opl + O         290.967\n",
      "  20 │ H2O --> H2Opl                   162.661\n",
      "  21 │ HCO + OH --> H2O + CO           132.454\n",
      "  22 │ COpl + H2O --> H2Opl + CO        51.0511\n",
      "  23 │ H2O --> OHpl + H                 31.6029\n",
      "  24 │ Cpl + H2O --> HOCpl + H          30.8976\n",
      "  25 │ COpl + H2O --> HCOpl + OH        27.489\n",
      "  26 │ N2pl + H2O --> H2Opl + N2        20.1849\n",
      "  27 │ H2O --> Hpl + OH                 17.0067\n",
      "  28 │ Cpl + H2O --> HCOpl + H          15.0817\n",
      "  29 │ N2pl + H2O --> N2Hpl + OH         5.35431\n",
      "  30 │ H2Opl + NO --> NOpl + H2O         4.5727\n",
      "  31 │ Cpl + H2O --> H2Opl + C           3.43306\n",
      "  32 │ H2O --> Opl + H2                  2.69162\n",
      "  33 │ Hpl + H2O --> H2Opl + H           0.848848\n",
      "  34 │ H2O --> H + H + O                 0.0\n",
      "  35 │ H2O2 --> H2O + O1D                0.0\n",
      "\n",
      "For H2O2: \n",
      "100% of reactions is 11/11\n",
      "The column rate of top 100.0% of reactions is 4.531115114569117e10\n",
      "Which equates to 100.0% of the total column rate (4.531115114569117e10).\n",
      "\n",
      "\u001b[1m11×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                             \u001b[0m\u001b[1m Value      \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                          \u001b[0m\u001b[90m Float64    \u001b[0m\n",
      "─────┼─────────────────────────────────────────────\n",
      "   1 │ HO2 + HO2 --> H2O2 + O2          2.27018e10\n",
      "   2 │ H2O2 --> OH + OH                 2.01288e10\n",
      "   3 │ OH + H2O2 --> H2O + HO2          1.09603e9\n",
      "   4 │ H2O2 --> HO2 + H                 1.07813e9\n",
      "   5 │ HO2 + HO2 + M --> H2O2 + O2 + M  2.81728e8\n",
      "   6 │ H2O2 + O --> HO2 + OH            1.07641e7\n",
      "   7 │ O + H2O2 --> OH + HO2            1.07641e7\n",
      "   8 │ H + H2O2 --> H2O + OH            1.42154e6\n",
      "   9 │ H2O2 + H --> H2O + OH            1.42154e6\n",
      "  10 │ OH + OH --> H2O2                 3.00472e5\n",
      "  11 │ H2O2 --> H2O + O1D               0.0\n",
      "\n",
      "For H2Opl: \n",
      "100% of reactions is 18/18\n",
      "The column rate of top 100.0% of reactions is 102117.12385439481\n",
      "Which equates to 100.0% of the total column rate (102117.12385439481).\n",
      "\n",
      "\u001b[1m18×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                         \u001b[0m\u001b[1m Value        \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                      \u001b[0m\u001b[90m Float64      \u001b[0m\n",
      "─────┼───────────────────────────────────────────\n",
      "   1 │ CO2pl + H2O --> H2Opl + CO2  31542.2\n",
      "   2 │ H2Opl + CO --> HCOpl + OH    29197.4\n",
      "   3 │ OHpl + H2 --> H2Opl + H      18653.6\n",
      "   4 │ H2Opl + E --> O + H + H       7021.99\n",
      "   5 │ H2Opl + O --> O2pl + H2       5514.01\n",
      "   6 │ H2Opl + O2 --> O2pl + H2O     4391.36\n",
      "   7 │ H2Opl + H2 --> H3Opl + H      2378.58\n",
      "   8 │ H2Opl + E --> OH + H          1978.31\n",
      "   9 │ H2Opl + E --> H2 + O           891.252\n",
      "  10 │ Opl + H2O --> H2Opl + O        290.967\n",
      "  11 │ H2O --> H2Opl                  162.661\n",
      "  12 │ COpl + H2O --> H2Opl + CO       51.0511\n",
      "  13 │ N2pl + H2O --> H2Opl + N2       20.1849\n",
      "  14 │ H2Opl + N --> HNOpl + H         11.8444\n",
      "  15 │ H2Opl + NO --> NOpl + H2O        4.5727\n",
      "  16 │ Cpl + H2O --> H2Opl + C          3.43306\n",
      "  17 │ H2Opl + N --> NOpl + H2          2.96111\n",
      "  18 │ Hpl + H2O --> H2Opl + H          0.848848\n",
      "\n",
      "For H2pl: \n",
      "100% of reactions is 9/9\n",
      "The column rate of top 100.0% of reactions is 566341.7179380034\n",
      "Which equates to 100.0% of the total column rate (566341.7179380034).\n",
      "\n",
      "\u001b[1m9×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                       \u001b[0m\u001b[1m Value         \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                    \u001b[0m\u001b[90m Float64       \u001b[0m\n",
      "─────┼──────────────────────────────────────────\n",
      "   1 │ H2 --> H2pl                    2.86808e5\n",
      "   2 │ H2pl + CO2 --> HCO2pl + H      1.9573e5\n",
      "   3 │ H2pl + O --> OHpl + H      40705.8\n",
      "   4 │ H2pl + N2 --> N2Hpl + H    20752.5\n",
      "   5 │ H2pl + CO --> HCOpl + H    15991.5\n",
      "   6 │ H2pl + Ar --> ArHpl + H     4987.98\n",
      "   7 │ H2pl + O2 --> HO2pl + H     1273.19\n",
      "   8 │ H2pl + E --> H + H            92.4611\n",
      "   9 │ Arpl + H2 --> H2pl + Ar        0.0323665\n",
      "\n",
      "For H3Opl: \n",
      "100% of reactions is 7/7\n",
      "The column rate of top 100.0% of reactions is 126191.95144563018\n",
      "Which equates to 100.0% of the total column rate (126191.95144563018).\n",
      "\n",
      "\u001b[1m7×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                          \u001b[0m\u001b[1m Value     \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                       \u001b[0m\u001b[90m Float64   \u001b[0m\n",
      "─────┼─────────────────────────────────────────\n",
      "   1 │ HCOpl + H2O --> H3Opl + CO    60708.7\n",
      "   2 │ H3Opl + E --> OH + H + H      37518.2\n",
      "   3 │ H3Opl + E --> H2O + H         15611.6\n",
      "   4 │ H3Opl + E --> OH + H2          8729.07\n",
      "   5 │ H2Opl + H2 --> H3Opl + H       2378.58\n",
      "   6 │ H3Opl + E --> H2 + O + H        812.475\n",
      "   7 │ HCO2pl + H2O --> H3Opl + CO2    433.383\n",
      "\n",
      "For H3pl: \n",
      "100% of reactions is 3/3\n",
      "The column rate of top 100.0% of reactions is 212.43074198538847\n",
      "Which equates to 99.99999999999999% of the total column rate (212.43074198538847).\n",
      "\n",
      "\u001b[1m3×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                      \u001b[0m\u001b[1m Value   \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                   \u001b[0m\u001b[90m Float64 \u001b[0m\n",
      "─────┼───────────────────────────────────\n",
      "   1 │ H3pl + CO --> HCOpl + H2  117.363\n",
      "   2 │ HOCpl + H2 --> H3pl + CO   74.116\n",
      "   3 │ ArHpl + H2 --> H3pl + Ar   20.952\n",
      "\n",
      "For HCO: \n",
      "100% of reactions is 7/7\n",
      "The column rate of top 100.0% of reactions is 5.2421542223030694e7\n",
      "Which equates to 100.0% of the total column rate (5.2421542223030694e7).\n",
      "\n",
      "\u001b[1m7×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                   \u001b[0m\u001b[1m Value         \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                \u001b[0m\u001b[90m Float64       \u001b[0m\n",
      "─────┼──────────────────────────────────────\n",
      "   1 │ CO + H --> HCO             2.61704e7\n",
      "   2 │ HCO + O2 --> HO2 + CO      2.22961e7\n",
      "   3 │ HCO + O2 --> CO2 + OH      3.25867e6\n",
      "   4 │ HCO + O --> CO + OH        3.41079e5\n",
      "   5 │ HCO + O --> CO2 + H        3.41079e5\n",
      "   6 │ HCO + H --> CO + H2    14080.3\n",
      "   7 │ HCO + OH --> H2O + CO    132.454\n",
      "\n",
      "For HCO2pl: \n",
      "100% of reactions is 11/11\n",
      "The column rate of top 100.0% of reactions is 2.5877147641910836e8\n",
      "Which equates to 100.0% of the total column rate (2.5877147641910836e8).\n",
      "\n",
      "\u001b[1m11×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                          \u001b[0m\u001b[1m Value         \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                       \u001b[0m\u001b[90m Float64       \u001b[0m\n",
      "─────┼─────────────────────────────────────────────\n",
      "   1 │ CO2pl + H2 --> HCO2pl + H         1.27302e8\n",
      "   2 │ HCO2pl + O --> HCOpl + O2         6.29888e7\n",
      "   3 │ HCO2pl + CO --> HCOpl + CO2       5.90042e7\n",
      "   4 │ HCO2pl + E --> CO + O + H         5.32587e6\n",
      "   5 │ HCO2pl + E --> CO + OH            2.11468e6\n",
      "   6 │ OHpl + CO2 --> HCO2pl + O         1.42099e6\n",
      "   7 │ HCO2pl + E --> CO2 + H            3.91608e5\n",
      "   8 │ H2pl + CO2 --> HCO2pl + H         1.9573e5\n",
      "   9 │ CO2pl + H2O --> HCO2pl + OH   23211.5\n",
      "  10 │ ArHpl + CO2 --> HCO2pl + Ar    3882.06\n",
      "  11 │ HCO2pl + H2O --> H3Opl + CO2    433.383\n",
      "\n",
      "For HCOpl: \n",
      "100% of reactions is 18/18\n",
      "The column rate of top 100.0% of reactions is 2.90891390436331e8\n",
      "Which equates to 100.0% of the total column rate (2.90891390436331e8).\n",
      "\n",
      "\u001b[1m18×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                         \u001b[0m\u001b[1m Value         \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                      \u001b[0m\u001b[90m Float64       \u001b[0m\n",
      "─────┼────────────────────────────────────────────\n",
      "   1 │ HCOpl + E --> CO + H             1.42594e8\n",
      "   2 │ HCO2pl + O --> HCOpl + O2        6.29888e7\n",
      "   3 │ HCO2pl + CO --> HCOpl + CO2      5.90042e7\n",
      "   4 │ CO2pl + H --> HCOpl + O          2.19129e7\n",
      "   5 │ Hpl + CO2 --> HCOpl + O          3.17428e6\n",
      "   6 │ HCOpl + E --> OH + C             8.2702e5\n",
      "   7 │ COpl + H2 --> HCOpl + H          1.94077e5\n",
      "   8 │ OHpl + CO --> HCOpl + O      64253.6\n",
      "   9 │ HCOpl + H2O --> H3Opl + CO   60708.7\n",
      "  10 │ H2Opl + CO --> HCOpl + OH    29197.4\n",
      "  11 │ N2Hpl + CO --> HCOpl + N2    23901.6\n",
      "  12 │ H2pl + CO --> HCOpl + H      15991.5\n",
      "  13 │ HOCpl + CO --> HCOpl + CO     1840.05\n",
      "  14 │ ArHpl + CO --> HCOpl + Ar      261.359\n",
      "  15 │ H3pl + CO --> HCOpl + H2       117.363\n",
      "  16 │ HOCpl + H2 --> HCOpl + H2      105.09\n",
      "  17 │ COpl + H2O --> HCOpl + OH       27.489\n",
      "  18 │ Cpl + H2O --> HCOpl + H         15.0817\n",
      "\n",
      "For HNOpl: \n",
      "100% of reactions is 1/1\n",
      "The column rate of top 100.0% of reactions is 11.844441973001256\n",
      "Which equates to 100.0% of the total column rate (11.844441973001256).\n",
      "\n",
      "\u001b[1m1×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                     \u001b[0m\u001b[1m Value   \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                  \u001b[0m\u001b[90m Float64 \u001b[0m\n",
      "─────┼──────────────────────────────────\n",
      "   1 │ H2Opl + N --> HNOpl + H  11.8444\n",
      "\n",
      "For HO2: \n",
      "100% of reactions is 18/18\n",
      "The column rate of top 100.0% of reactions is 2.952108516355063e12\n",
      "Which equates to 100.0% of the total column rate (2.952108516355063e12).\n",
      "\n",
      "\u001b[1m18×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                             \u001b[0m\u001b[1m Value           \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                          \u001b[0m\u001b[90m Float64         \u001b[0m\n",
      "─────┼──────────────────────────────────────────────────\n",
      "   1 │ H + O2 --> HO2                        1.4822e12\n",
      "   2 │ HO2 + O --> O2 + OH                   1.34282e12\n",
      "   3 │ HO2 + H --> OH + OH                   4.35459e10\n",
      "   4 │ HO2 + OH --> H2O + O2                 3.06452e10\n",
      "   5 │ HO2 + HO2 --> H2O2 + O2               2.27018e10\n",
      "   6 │ HO2 --> OH + O                        1.83708e10\n",
      "   7 │ HOCO + O2 --> CO2 + HO2               5.84948e9\n",
      "   8 │ HO2 + H --> O2 + H2                   2.08658e9\n",
      "   9 │ OH + H2O2 --> H2O + HO2               1.09603e9\n",
      "  10 │ H2O2 --> HO2 + H                      1.07813e9\n",
      "  11 │ HO2 + H --> H2O + O1D                 9.67687e8\n",
      "  12 │ O3 + HO2 --> O2 + O2 + OH             3.59553e8\n",
      "  13 │ HO2 + HO2 + M --> H2O2 + O2 + M       2.81728e8\n",
      "  14 │ O3 + OH --> HO2 + O2                  6.05858e7\n",
      "  15 │ HCO + O2 --> HO2 + CO                 2.22961e7\n",
      "  16 │ H2O2 + O --> HO2 + OH                 1.07641e7\n",
      "  17 │ O + H2O2 --> OH + HO2                 1.07641e7\n",
      "  18 │ HO2 + N --> NO + OH              198821.0\n",
      "\n",
      "For HO2pl: \n",
      "100% of reactions is 1/1\n",
      "The column rate of top 100.0% of reactions is 1273.1938032561072\n",
      "Which equates to 100.0% of the total column rate (1273.1938032561072).\n",
      "\n",
      "\u001b[1m1×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                     \u001b[0m\u001b[1m Value   \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                  \u001b[0m\u001b[90m Float64 \u001b[0m\n",
      "─────┼──────────────────────────────────\n",
      "   1 │ H2pl + O2 --> HO2pl + H  1273.19\n",
      "\n",
      "For HOCO: \n",
      "100% of reactions is 3/3\n",
      "The column rate of top 100.0% of reactions is 1.1803441136850824e10\n",
      "Which equates to 100.00000000000001% of the total column rate (1.1803441136850824e10).\n",
      "\n",
      "\u001b[1m3×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                     \u001b[0m\u001b[1m Value       \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                  \u001b[0m\u001b[90m Float64     \u001b[0m\n",
      "─────┼──────────────────────────────────────\n",
      "   1 │ CO + OH --> HOCO           5.95397e9\n",
      "   2 │ HOCO + O2 --> CO2 + HO2    5.84948e9\n",
      "   3 │ HOCO + OH --> CO2 + H2O  553.155\n",
      "\n",
      "For HOCpl: \n",
      "100% of reactions is 6/6\n",
      "The column rate of top 100.0% of reactions is 300995.6681467642\n",
      "Which equates to 100.0% of the total column rate (300995.6681467642).\n",
      "\n",
      "\u001b[1m6×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                       \u001b[0m\u001b[1m Value        \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                    \u001b[0m\u001b[90m Float64      \u001b[0m\n",
      "─────┼─────────────────────────────────────────\n",
      "   1 │ COpl + H2 --> HOCpl + H       1.94077e5\n",
      "   2 │ HOCpl + E --> OH + C          1.04869e5\n",
      "   3 │ HOCpl + CO --> HCOpl + CO  1840.05\n",
      "   4 │ HOCpl + H2 --> HCOpl + H2   105.09\n",
      "   5 │ HOCpl + H2 --> H3pl + CO     74.116\n",
      "   6 │ Cpl + H2O --> HOCpl + H      30.8976\n",
      "\n",
      "For Hpl: \n",
      "100% of reactions is 12/12\n",
      "The column rate of top 100.0% of reactions is 6.434061533715276e6\n",
      "Which equates to 99.99999999999999% of the total column rate (6.434061533715276e6).\n",
      "\n",
      "\u001b[1m12×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                     \u001b[0m\u001b[1m Value         \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                  \u001b[0m\u001b[90m Float64       \u001b[0m\n",
      "─────┼────────────────────────────────────────\n",
      "   1 │ Hpl + CO2 --> HCOpl + O      3.17428e6\n",
      "   2 │ CO2pl + H --> Hpl + CO2      2.69285e6\n",
      "   3 │ Opl + H --> Hpl + O          2.97234e5\n",
      "   4 │ H --> Hpl                    1.49971e5\n",
      "   5 │ COpl + H --> Hpl + CO    43545.9\n",
      "   6 │ Hpl + O --> Opl + H      36879.9\n",
      "   7 │ H2 --> Hpl + H           31867.5\n",
      "   8 │ Hpl + O2 --> O2pl + H     4762.93\n",
      "   9 │ Hpl + H --> H + Hpl       2641.17\n",
      "  10 │ H2O --> Hpl + OH            17.0067\n",
      "  11 │ Hpl + NO --> NOpl + H        9.26618\n",
      "  12 │ Hpl + H2O --> H2Opl + H      0.848848\n",
      "\n",
      "For N2Hpl: \n",
      "100% of reactions is 8/8\n",
      "The column rate of top 100.0% of reactions is 401069.88610981876\n",
      "Which equates to 100.0% of the total column rate (401069.88610981876).\n",
      "\n",
      "\u001b[1m8×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                       \u001b[0m\u001b[1m Value         \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                    \u001b[0m\u001b[90m Float64       \u001b[0m\n",
      "─────┼──────────────────────────────────────────\n",
      "   1 │ N2pl + H2 --> N2Hpl + H        2.96692e5\n",
      "   2 │ OHpl + N2 --> N2Hpl + O    34536.4\n",
      "   3 │ N2Hpl + CO --> HCOpl + N2  23901.6\n",
      "   4 │ H2pl + N2 --> N2Hpl + H    20752.5\n",
      "   5 │ N2Hpl + O --> OHpl + N2    20397.2\n",
      "   6 │ N2Hpl + E --> N2 + H        4470.32\n",
      "   7 │ ArHpl + N2 --> N2Hpl + Ar    314.979\n",
      "   8 │ N2pl + H2O --> N2Hpl + OH      5.35431\n",
      "\n",
      "For NHpl: \n",
      "100% of reactions is 1/1\n",
      "The column rate of top 100.0% of reactions is 8746.897512350595\n",
      "Which equates to 100.0% of the total column rate (8746.897512350595).\n",
      "\n",
      "\u001b[1m1×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                   \u001b[0m\u001b[1m Value   \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                \u001b[0m\u001b[90m Float64 \u001b[0m\n",
      "─────┼────────────────────────────────\n",
      "   1 │ Npl + H2 --> NHpl + H   8746.9\n",
      "\n",
      "For OH: \n",
      "100% of reactions is 44/44\n",
      "The column rate of top 100.0% of reactions is 3.1347827550022646e12\n",
      "Which equates to 99.99999999999999% of the total column rate (3.1347827550022646e12).\n",
      "\n",
      "\u001b[1m44×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                         \u001b[0m\u001b[1m Value           \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                      \u001b[0m\u001b[90m Float64         \u001b[0m\n",
      "─────┼──────────────────────────────────────────────\n",
      "   1 │ CO + OH --> CO2 + H               1.344e12\n",
      "   2 │ HO2 + O --> O2 + OH               1.34282e12\n",
      "   3 │ OH + O --> O2 + H                 2.05675e11\n",
      "   4 │ O3 + H --> O2 + OH                8.61523e10\n",
      "   5 │ HO2 + H --> OH + OH               4.35459e10\n",
      "   6 │ H2O --> H + OH                    3.24901e10\n",
      "   7 │ HO2 + OH --> H2O + O2             3.06452e10\n",
      "   8 │ H2O2 --> OH + OH                  2.01288e10\n",
      "   9 │ HO2 --> OH + O                    1.83708e10\n",
      "  10 │ CO + OH --> HOCO                  5.95397e9\n",
      "  11 │ O1D + H2O --> OH + OH             1.62693e9\n",
      "  12 │ OH + H2 --> H2O + H               1.61533e9\n",
      "  13 │ OH + H2O2 --> H2O + HO2           1.09603e9\n",
      "  14 │ O3 + HO2 --> O2 + O2 + OH         3.59553e8\n",
      "  15 │ O1D + H2 --> OH + H               1.32058e8\n",
      "  16 │ O3 + OH --> HO2 + O2              6.05858e7\n",
      "  17 │ OH + OH --> H2O + O               3.56231e7\n",
      "  18 │ O + H --> OH                      1.91269e7\n",
      "  19 │ H2 + O --> OH + H                 1.87528e7\n",
      "  20 │ H2O2 + O --> HO2 + OH             1.07641e7\n",
      "  21 │ O + H2O2 --> OH + HO2             1.07641e7\n",
      "  22 │ OH + H + CO2 --> H2O + CO2        3.69939e6\n",
      "  23 │ HCO + O2 --> CO2 + OH             3.25867e6\n",
      "  24 │ HCO2pl + E --> CO + OH            2.11468e6\n",
      "  25 │ H + H2O2 --> H2O + OH             1.42154e6\n",
      "  26 │ H2O2 + H --> H2O + OH             1.42154e6\n",
      "  27 │ OH --> O + H                      1.39357e6\n",
      "  28 │ HCOpl + E --> OH + C              8.2702e5\n",
      "  29 │ HCO + O --> CO + OH               3.41079e5\n",
      "  30 │ OH + OH --> H2O2                  3.00472e5\n",
      "  31 │ HO2 + N --> NO + OH          198821.0\n",
      "  32 │ HOCpl + E --> OH + C              1.04869e5\n",
      "  33 │ H3Opl + E --> OH + H + H      37518.2\n",
      "  34 │ H2Opl + CO --> HCOpl + OH     29197.4\n",
      "  35 │ CO2pl + H2O --> HCO2pl + OH   23211.5\n",
      "  36 │ H3Opl + E --> OH + H2          8729.07\n",
      "  37 │ OHpl + O2 --> O2pl + OH        3422.46\n",
      "  38 │ H2Opl + E --> OH + H           1978.31\n",
      "  39 │ HOCO + OH --> CO2 + H2O         553.155\n",
      "  40 │ HCO + OH --> H2O + CO           132.454\n",
      "  41 │ OH --> O1D + H                   52.9651\n",
      "  42 │ COpl + H2O --> HCOpl + OH        27.489\n",
      "  43 │ H2O --> Hpl + OH                 17.0067\n",
      "  44 │ N2pl + H2O --> N2Hpl + OH         5.35431\n",
      "\n",
      "For OHpl: \n",
      "100% of reactions is 12/12\n",
      "The column rate of top 100.0% of reactions is 3.638398159394904e6\n",
      "Which equates to 99.99999999999999% of the total column rate (3.638398159394904e6).\n",
      "\n",
      "\u001b[1m12×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                       \u001b[0m\u001b[1m Value         \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                    \u001b[0m\u001b[90m Float64       \u001b[0m\n",
      "─────┼──────────────────────────────────────────\n",
      "   1 │ Opl + H2 --> OHpl + H          1.75584e6\n",
      "   2 │ OHpl + CO2 --> HCO2pl + O      1.42099e6\n",
      "   3 │ OHpl + O --> O2pl + H          2.76386e5\n",
      "   4 │ OHpl + CO --> HCOpl + O    64253.6\n",
      "   5 │ H2pl + O --> OHpl + H      40705.8\n",
      "   6 │ OHpl + N2 --> N2Hpl + O    34536.4\n",
      "   7 │ N2Hpl + O --> OHpl + N2    20397.2\n",
      "   8 │ OHpl + H2 --> H2Opl + H    18653.6\n",
      "   9 │ OHpl + O2 --> O2pl + OH     3422.46\n",
      "  10 │ OHpl + E --> O + H          2843.25\n",
      "  11 │ OHpl + N --> NOpl + H        337.164\n",
      "  12 │ H2O --> OHpl + H              31.6029\n",
      "\n"
     ]
    },
    {
     "data": {
      "text/html": [
       "<div class=\"data-frame\"><p>134 rows × 2 columns</p><table class=\"data-frame\"><thead><tr><th></th><th>Rxn</th><th>Value</th></tr><tr><th></th><th title=\"Any\">Any</th><th title=\"Any\">Any</th></tr></thead><tbody><tr><th>1</th><td>H + O2 --&gt; HO2</td><td>1.4822e12</td></tr><tr><th>2</th><td>CO + OH --&gt; CO2 + H</td><td>1.344e12</td></tr><tr><th>3</th><td>HO2 + O --&gt; O2 + OH</td><td>1.34282e12</td></tr><tr><th>4</th><td>OH + O --&gt; O2 + H</td><td>2.05675e11</td></tr><tr><th>5</th><td>O3 + H --&gt; O2 + OH</td><td>8.61523e10</td></tr><tr><th>6</th><td>HO2 + H --&gt; OH + OH</td><td>4.35459e10</td></tr><tr><th>7</th><td>H2O --&gt; H + OH</td><td>3.24901e10</td></tr><tr><th>8</th><td>HO2 + OH --&gt; H2O + O2</td><td>3.06452e10</td></tr><tr><th>9</th><td>HO2 + HO2 --&gt; H2O2 + O2</td><td>2.27018e10</td></tr><tr><th>10</th><td>H2O2 --&gt; OH + OH</td><td>2.01288e10</td></tr><tr><th>11</th><td>HO2 --&gt; OH + O</td><td>1.83708e10</td></tr><tr><th>12</th><td>CO + OH --&gt; HOCO</td><td>5.95397e9</td></tr><tr><th>13</th><td>HOCO + O2 --&gt; CO2 + HO2</td><td>5.84948e9</td></tr><tr><th>14</th><td>HO2 + H --&gt; O2 + H2</td><td>2.08658e9</td></tr><tr><th>15</th><td>O1D + H2O --&gt; OH + OH</td><td>1.62693e9</td></tr><tr><th>16</th><td>OH + H2 --&gt; H2O + H</td><td>1.61533e9</td></tr><tr><th>17</th><td>OH + H2O2 --&gt; H2O + HO2</td><td>1.09603e9</td></tr><tr><th>18</th><td>H2O2 --&gt; HO2 + H</td><td>1.07813e9</td></tr><tr><th>19</th><td>HO2 + H --&gt; H2O + O1D</td><td>9.67687e8</td></tr><tr><th>20</th><td>O3 + HO2 --&gt; O2 + O2 + OH</td><td>3.59553e8</td></tr><tr><th>21</th><td>HO2 + HO2 + M --&gt; H2O2 + O2 + M</td><td>2.81728e8</td></tr><tr><th>22</th><td>HCOpl + E --&gt; CO + H</td><td>1.42594e8</td></tr><tr><th>23</th><td>O1D + H2 --&gt; OH + H</td><td>1.32058e8</td></tr><tr><th>24</th><td>CO2pl + H2 --&gt; HCO2pl + H</td><td>1.27302e8</td></tr><tr><th>25</th><td>HCO2pl + O --&gt; HCOpl + O2</td><td>6.29888e7</td></tr><tr><th>26</th><td>O3 + OH --&gt; HO2 + O2</td><td>6.05858e7</td></tr><tr><th>27</th><td>HCO2pl + CO --&gt; HCOpl + CO2</td><td>5.90042e7</td></tr><tr><th>28</th><td>OH + OH --&gt; H2O + O</td><td>3.56231e7</td></tr><tr><th>29</th><td>CO + H --&gt; HCO</td><td>2.61704e7</td></tr><tr><th>30</th><td>HCO + O2 --&gt; HO2 + CO</td><td>2.22961e7</td></tr><tr><th>&vellip;</th><td>&vellip;</td><td>&vellip;</td></tr></tbody></table></div>"
      ],
      "text/latex": [
       "\\begin{tabular}{r|cc}\n",
       "\t& Rxn & Value\\\\\n",
       "\t\\hline\n",
       "\t& Any & Any\\\\\n",
       "\t\\hline\n",
       "\t1 & H + O2 --> HO2 & 1.4822e12 \\\\\n",
       "\t2 & CO + OH --> CO2 + H & 1.344e12 \\\\\n",
       "\t3 & HO2 + O --> O2 + OH & 1.34282e12 \\\\\n",
       "\t4 & OH + O --> O2 + H & 2.05675e11 \\\\\n",
       "\t5 & O3 + H --> O2 + OH & 8.61523e10 \\\\\n",
       "\t6 & HO2 + H --> OH + OH & 4.35459e10 \\\\\n",
       "\t7 & H2O --> H + OH & 3.24901e10 \\\\\n",
       "\t8 & HO2 + OH --> H2O + O2 & 3.06452e10 \\\\\n",
       "\t9 & HO2 + HO2 --> H2O2 + O2 & 2.27018e10 \\\\\n",
       "\t10 & H2O2 --> OH + OH & 2.01288e10 \\\\\n",
       "\t11 & HO2 --> OH + O & 1.83708e10 \\\\\n",
       "\t12 & CO + OH --> HOCO & 5.95397e9 \\\\\n",
       "\t13 & HOCO + O2 --> CO2 + HO2 & 5.84948e9 \\\\\n",
       "\t14 & HO2 + H --> O2 + H2 & 2.08658e9 \\\\\n",
       "\t15 & O1D + H2O --> OH + OH & 1.62693e9 \\\\\n",
       "\t16 & OH + H2 --> H2O + H & 1.61533e9 \\\\\n",
       "\t17 & OH + H2O2 --> H2O + HO2 & 1.09603e9 \\\\\n",
       "\t18 & H2O2 --> HO2 + H & 1.07813e9 \\\\\n",
       "\t19 & HO2 + H --> H2O + O1D & 9.67687e8 \\\\\n",
       "\t20 & O3 + HO2 --> O2 + O2 + OH & 3.59553e8 \\\\\n",
       "\t21 & HO2 + HO2 + M --> H2O2 + O2 + M & 2.81728e8 \\\\\n",
       "\t22 & HCOpl + E --> CO + H & 1.42594e8 \\\\\n",
       "\t23 & O1D + H2 --> OH + H & 1.32058e8 \\\\\n",
       "\t24 & CO2pl + H2 --> HCO2pl + H & 1.27302e8 \\\\\n",
       "\t25 & HCO2pl + O --> HCOpl + O2 & 6.29888e7 \\\\\n",
       "\t26 & O3 + OH --> HO2 + O2 & 6.05858e7 \\\\\n",
       "\t27 & HCO2pl + CO --> HCOpl + CO2 & 5.90042e7 \\\\\n",
       "\t28 & OH + OH --> H2O + O & 3.56231e7 \\\\\n",
       "\t29 & CO + H --> HCO & 2.61704e7 \\\\\n",
       "\t30 & HCO + O2 --> HO2 + CO & 2.22961e7 \\\\\n",
       "\t$\\dots$ & $\\dots$ & $\\dots$ \\\\\n",
       "\\end{tabular}\n"
      ],
      "text/plain": [
       "\u001b[1m134×2 DataFrame\u001b[0m\n",
       "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                       \u001b[0m\u001b[1m Value      \u001b[0m\n",
       "\u001b[1m     \u001b[0m│\u001b[90m Any                       \u001b[0m\u001b[90m Any        \u001b[0m\n",
       "─────┼───────────────────────────────────────\n",
       "   1 │ H + O2 --> HO2             1.4822e12\n",
       "   2 │ CO + OH --> CO2 + H        1.344e12\n",
       "   3 │ HO2 + O --> O2 + OH        1.34282e12\n",
       "   4 │ OH + O --> O2 + H          2.05675e11\n",
       "   5 │ O3 + H --> O2 + OH         8.61523e10\n",
       "   6 │ HO2 + H --> OH + OH        4.35459e10\n",
       "   7 │ H2O --> H + OH             3.24901e10\n",
       "   8 │ HO2 + OH --> H2O + O2      3.06452e10\n",
       "   9 │ HO2 + HO2 --> H2O2 + O2    2.27018e10\n",
       "  10 │ H2O2 --> OH + OH           2.01288e10\n",
       "  11 │ HO2 --> OH + O             1.83708e10\n",
       "  ⋮  │             ⋮                  ⋮\n",
       " 125 │ H2Opl + NO --> NOpl + H2O  4.5727\n",
       " 126 │ Cpl + H2 --> CHpl + H      4.35272\n",
       " 127 │ Cpl + H2O --> H2Opl + C    3.43306\n",
       " 128 │ H2Opl + N --> NOpl + H2    2.96111\n",
       " 129 │ H2O --> Opl + H2           2.69162\n",
       " 130 │ Arpl + H2 --> ArHpl + H    1.58559\n",
       " 131 │ Hpl + H2O --> H2Opl + H    0.848848\n",
       " 132 │ Arpl + H2 --> H2pl + Ar    0.0323665\n",
       " 133 │ H2O --> H + H + O          0.0\n",
       " 134 │ H2O2 --> H2O + O1D         0.0\n",
       "\u001b[36m                             113 rows omitted\u001b[0m"
      ]
     },
     "execution_count": 140,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "bigdf_H_reconstructed = DataFrame(Rxn=[], Value=[])\n",
    "\n",
    "# Retrieve 100% of reactions for all species\n",
    "for Hsp in species_with_ONLY_H\n",
    "    # Get the basic df\n",
    "    println(\"For $(Hsp): \")\n",
    "    col_rate_df = get_column_rates_NEW(Hsp, ncur; which=\"all\", Tn=vardict[\"Tn_arr\"][2:end-1], Ti=vardict[\"Ti_arr\"][2:end-1], Te=vardict[\"Te_arr\"][2:end-1], \n",
    "                                   all_species=vardict[\"all_species\"], ion_species=vardict[\"ion_species\"], reaction_network=reconstructed_H_network, # !!!!!!!!!!! the change\n",
    "                                   num_layers, dz)\n",
    "    \n",
    "    thisdf = get_p_pct_of_column(col_rate_df, 1; Tn=vardict[\"Tn_arr\"][2:end-1], Ti=vardict[\"Ti_arr\"][2:end-1], Te=vardict[\"Te_arr\"][2:end-1], \n",
    "                                   all_species=vardict[\"all_species\"], ion_species=vardict[\"ion_species\"], reaction_network=reconstructed_H_network, # !!!!!!!!!!! the change\n",
    "                                   num_layers, dz)\n",
    "    bigdf_H_reconstructed = vcat(bigdf_H_reconstructed, thisdf)\n",
    "    println()\n",
    "end\n",
    "\n",
    "bigdf_H_reconstructed = unique(sort(bigdf_H_reconstructed, [:Value], rev=true))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 141,
   "id": "f0d76123-5aef-491b-a371-28ad642a35c7",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "0.9999996592038692"
      ]
     },
     "execution_count": 141,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "PERCENT_OF_H_COLUMN_EQUIVALENT = sum(bigdf_H_reconstructed.\"Value\") / sum(deuteration_candidates.\"Value\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 129,
   "id": "d2e1a7b7-2d96-4476-86ee-cee38c9acc6f",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div class=\"data-frame\"><p>282 rows × 2 columns</p><table class=\"data-frame\"><thead><tr><th></th><th>Rxn</th><th>Value</th></tr><tr><th></th><th title=\"Any\">Any</th><th title=\"Any\">Any</th></tr></thead><tbody><tr><th>1</th><td>H + O2 --&gt; HO2</td><td>1.4822e12</td></tr><tr><th>2</th><td>CO + OH --&gt; CO2 + H</td><td>1.344e12</td></tr><tr><th>3</th><td>HO2 + O --&gt; O2 + OH</td><td>1.34282e12</td></tr><tr><th>4</th><td>OH + O --&gt; O2 + H</td><td>2.05675e11</td></tr><tr><th>5</th><td>O3 + H --&gt; O2 + OH</td><td>8.61523e10</td></tr><tr><th>6</th><td>HO2 + H --&gt; OH + OH</td><td>4.35459e10</td></tr><tr><th>7</th><td>H2O --&gt; H + OH</td><td>3.24901e10</td></tr><tr><th>8</th><td>HO2 + OH --&gt; H2O + O2</td><td>3.06452e10</td></tr><tr><th>9</th><td>HO2 + HO2 --&gt; H2O2 + O2</td><td>2.27018e10</td></tr><tr><th>10</th><td>H2O2 --&gt; OH + OH</td><td>2.01288e10</td></tr><tr><th>11</th><td>HO2 --&gt; OH + O</td><td>1.83708e10</td></tr><tr><th>12</th><td>CO + OH --&gt; HOCO</td><td>5.95397e9</td></tr><tr><th>13</th><td>HOCO + O2 --&gt; CO2 + HO2</td><td>5.84948e9</td></tr><tr><th>14</th><td>HO2 + H --&gt; O2 + H2</td><td>2.08658e9</td></tr><tr><th>15</th><td>O1D + H2O --&gt; OH + OH</td><td>1.62693e9</td></tr><tr><th>16</th><td>OH + H2 --&gt; H2O + H</td><td>1.61533e9</td></tr><tr><th>17</th><td>OH + H2O2 --&gt; H2O + HO2</td><td>1.09603e9</td></tr><tr><th>18</th><td>H2O2 --&gt; HO2 + H</td><td>1.07813e9</td></tr><tr><th>19</th><td>HO2 + H --&gt; H2O + O1D</td><td>9.67687e8</td></tr><tr><th>20</th><td>O3 + HO2 --&gt; O2 + O2 + OH</td><td>3.59553e8</td></tr><tr><th>21</th><td>HO2 + HO2 + M --&gt; H2O2 + O2 + M</td><td>2.81728e8</td></tr><tr><th>22</th><td>HCOpl + E --&gt; CO + H</td><td>1.42594e8</td></tr><tr><th>23</th><td>O1D + H2 --&gt; OH + H</td><td>1.32058e8</td></tr><tr><th>24</th><td>CO2pl + H2 --&gt; HCO2pl + H</td><td>1.27302e8</td></tr><tr><th>25</th><td>HCO2pl + O --&gt; HCOpl + O2</td><td>6.29888e7</td></tr><tr><th>26</th><td>O3 + OH --&gt; HO2 + O2</td><td>6.05858e7</td></tr><tr><th>27</th><td>HCO2pl + CO --&gt; HCOpl + CO2</td><td>5.90042e7</td></tr><tr><th>28</th><td>OH + OH --&gt; H2O + O</td><td>3.56231e7</td></tr><tr><th>29</th><td>CO + H --&gt; HCO</td><td>2.61704e7</td></tr><tr><th>30</th><td>HCO + O2 --&gt; HO2 + CO</td><td>2.22961e7</td></tr><tr><th>&vellip;</th><td>&vellip;</td><td>&vellip;</td></tr></tbody></table></div>"
      ],
      "text/latex": [
       "\\begin{tabular}{r|cc}\n",
       "\t& Rxn & Value\\\\\n",
       "\t\\hline\n",
       "\t& Any & Any\\\\\n",
       "\t\\hline\n",
       "\t1 & H + O2 --> HO2 & 1.4822e12 \\\\\n",
       "\t2 & CO + OH --> CO2 + H & 1.344e12 \\\\\n",
       "\t3 & HO2 + O --> O2 + OH & 1.34282e12 \\\\\n",
       "\t4 & OH + O --> O2 + H & 2.05675e11 \\\\\n",
       "\t5 & O3 + H --> O2 + OH & 8.61523e10 \\\\\n",
       "\t6 & HO2 + H --> OH + OH & 4.35459e10 \\\\\n",
       "\t7 & H2O --> H + OH & 3.24901e10 \\\\\n",
       "\t8 & HO2 + OH --> H2O + O2 & 3.06452e10 \\\\\n",
       "\t9 & HO2 + HO2 --> H2O2 + O2 & 2.27018e10 \\\\\n",
       "\t10 & H2O2 --> OH + OH & 2.01288e10 \\\\\n",
       "\t11 & HO2 --> OH + O & 1.83708e10 \\\\\n",
       "\t12 & CO + OH --> HOCO & 5.95397e9 \\\\\n",
       "\t13 & HOCO + O2 --> CO2 + HO2 & 5.84948e9 \\\\\n",
       "\t14 & HO2 + H --> O2 + H2 & 2.08658e9 \\\\\n",
       "\t15 & O1D + H2O --> OH + OH & 1.62693e9 \\\\\n",
       "\t16 & OH + H2 --> H2O + H & 1.61533e9 \\\\\n",
       "\t17 & OH + H2O2 --> H2O + HO2 & 1.09603e9 \\\\\n",
       "\t18 & H2O2 --> HO2 + H & 1.07813e9 \\\\\n",
       "\t19 & HO2 + H --> H2O + O1D & 9.67687e8 \\\\\n",
       "\t20 & O3 + HO2 --> O2 + O2 + OH & 3.59553e8 \\\\\n",
       "\t21 & HO2 + HO2 + M --> H2O2 + O2 + M & 2.81728e8 \\\\\n",
       "\t22 & HCOpl + E --> CO + H & 1.42594e8 \\\\\n",
       "\t23 & O1D + H2 --> OH + H & 1.32058e8 \\\\\n",
       "\t24 & CO2pl + H2 --> HCO2pl + H & 1.27302e8 \\\\\n",
       "\t25 & HCO2pl + O --> HCOpl + O2 & 6.29888e7 \\\\\n",
       "\t26 & O3 + OH --> HO2 + O2 & 6.05858e7 \\\\\n",
       "\t27 & HCO2pl + CO --> HCOpl + CO2 & 5.90042e7 \\\\\n",
       "\t28 & OH + OH --> H2O + O & 3.56231e7 \\\\\n",
       "\t29 & CO + H --> HCO & 2.61704e7 \\\\\n",
       "\t30 & HCO + O2 --> HO2 + CO & 2.22961e7 \\\\\n",
       "\t$\\dots$ & $\\dots$ & $\\dots$ \\\\\n",
       "\\end{tabular}\n"
      ],
      "text/plain": [
       "\u001b[1m282×2 DataFrame\u001b[0m\n",
       "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                         \u001b[0m\u001b[1m Value       \u001b[0m\n",
       "\u001b[1m     \u001b[0m│\u001b[90m Any                         \u001b[0m\u001b[90m Any         \u001b[0m\n",
       "─────┼──────────────────────────────────────────\n",
       "   1 │ H + O2 --> HO2               1.4822e12\n",
       "   2 │ CO + OH --> CO2 + H          1.344e12\n",
       "   3 │ HO2 + O --> O2 + OH          1.34282e12\n",
       "   4 │ OH + O --> O2 + H            2.05675e11\n",
       "   5 │ O3 + H --> O2 + OH           8.61523e10\n",
       "   6 │ HO2 + H --> OH + OH          4.35459e10\n",
       "   7 │ H2O --> H + OH               3.24901e10\n",
       "   8 │ HO2 + OH --> H2O + O2        3.06452e10\n",
       "   9 │ HO2 + HO2 --> H2O2 + O2      2.27018e10\n",
       "  10 │ H2O2 --> OH + OH             2.01288e10\n",
       "  11 │ HO2 --> OH + O               1.83708e10\n",
       "  ⋮  │              ⋮                    ⋮\n",
       " 273 │ Hpl + H --> H2pl             2.91294e-6\n",
       " 274 │ HCO + HCO --> CO + CO + H2   1.14913e-6\n",
       " 275 │ HO2 + CO --> CO2 + OH        9.29165e-7\n",
       " 276 │ CO2 + H --> CO + OH          1.06592e-7\n",
       " 277 │ HO2 + H2 --> H2O2 + H        4.37853e-10\n",
       " 278 │ HO2 + H2O --> H2O2 + OH      8.88464e-16\n",
       " 279 │ O2 + H2 --> OH + OH          1.21192e-19\n",
       " 280 │ O2 + H2 --> HO2 + H          1.96851e-32\n",
       " 281 │ H2O --> H + H + O            0.0\n",
       " 282 │ H2O2 --> H2O + O1D           0.0\n",
       "\u001b[36m                                261 rows omitted\u001b[0m"
      ]
     },
     "execution_count": 129,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "deuteration_candidates"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "f74cc8d5-12b8-4e2f-97f8-b28c8c6409ad",
   "metadata": {
    "jp-MarkdownHeadingCollapsed": true,
    "tags": []
   },
   "source": [
    "# Dominant reactions for H"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 208,
   "id": "59b68580-2da2-4f76-acae-e09433d18e87",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Column rates will be collected for reaction type = krates and species role = both\n",
      "The sum of all 145 reactions is: 3.166825049012297e12\n",
      "33.0% of reactions is 47/145\n",
      "The column rate of top 33.0% of reactions is 3.166824869036046e12\n",
      "Which equates to 99.99999431682367% of the total column rate.\n",
      "\n",
      "\u001b[1m47×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                        \u001b[0m\u001b[1m Value           \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                     \u001b[0m\u001b[90m Float64         \u001b[0m\n",
      "─────┼─────────────────────────────────────────────\n",
      "   1 │ H + O2 --> HO2                   1.4822e12\n",
      "   2 │ CO + OH --> CO2 + H              1.344e12\n",
      "   3 │ OH + O --> O2 + H                2.05675e11\n",
      "   4 │ O3 + H --> O2 + OH               8.61523e10\n",
      "   5 │ HO2 + H --> OH + OH              4.35459e10\n",
      "   6 │ HO2 + H --> O2 + H2              2.08658e9\n",
      "   7 │ OH + H2 --> H2O + H              1.61533e9\n",
      "   8 │ HO2 + H --> H2O + O1D            9.67687e8\n",
      "   9 │ HCOpl + E --> CO + H             1.42594e8\n",
      "  10 │ O1D + H2 --> OH + H              1.32058e8\n",
      "  11 │ CO2pl + H2 --> HCO2pl + H        1.27302e8\n",
      "  12 │ CO + H --> HCO                   2.61704e7\n",
      "  13 │ D + HO2 --> DO2 + H              2.61155e7\n",
      "  14 │ CO2pl + H --> HCOpl + O          2.19129e7\n",
      "  15 │ OH + D --> OD + H                2.00481e7\n",
      "  16 │ O + H --> OH                     1.91269e7\n",
      "  17 │ H2 + O --> OH + H                1.87528e7\n",
      "  18 │ H + DO2 --> OH + OD              1.57421e7\n",
      "  19 │ HCO2pl + E --> CO + O + H        5.32587e6\n",
      "  20 │ H + H + M --> H2 + M             4.65615e6\n",
      "  21 │ OH + H + CO2 --> H2O + CO2       3.69939e6\n",
      "  22 │ CO2pl + H --> Hpl + CO2          2.69285e6\n",
      "  23 │ Opl + H2 --> OHpl + H            1.75584e6\n",
      "  24 │ H + H2O2 --> H2O + OH            1.42154e6\n",
      "  25 │ H2O2 + H --> H2O + OH            1.42154e6\n",
      "  26 │ OH + HD --> HDO + H              7.62911e5\n",
      "  27 │ H + DO2 --> HD + O2         754308.0\n",
      "  28 │ OD + H2 --> HDO + H              4.26944e5\n",
      "  29 │ HCO2pl + E --> CO2 + H           3.91608e5\n",
      "  30 │ H + DO2 --> HDO + O1D       349824.0\n",
      "  31 │ HCO + O --> CO2 + H              3.41079e5\n",
      "  32 │ OD + H --> OH + D                3.14005e5\n",
      "  33 │ Opl + H --> Hpl + O              2.97234e5\n",
      "  34 │ N2pl + H2 --> N2Hpl + H          2.96692e5\n",
      "  35 │ OHpl + O --> O2pl + H            2.76386e5\n",
      "  36 │ H + DO2 --> HO2 + D         228670.0\n",
      "  37 │ H2pl + CO2 --> HCO2pl + H        1.9573e5\n",
      "  38 │ COpl + H2 --> HCOpl + H          1.94077e5\n",
      "  39 │ COpl + H2 --> HOCpl + H          1.94077e5\n",
      "  40 │ OH + N --> NO + H                1.59357e5\n",
      "  41 │ H + H2O2 --> HO2 + H2            1.48487e5\n",
      "  42 │ H2O2 + H --> HO2 + H2            1.47959e5\n",
      "  43 │ O1D + HD --> H + OD          67540.7\n",
      "  44 │ COpl + H --> Hpl + CO        43545.9\n",
      "  45 │ H2pl + O --> OHpl + H        40705.8\n",
      "  46 │ H3Opl + E --> OH + H + H     37518.2\n",
      "  47 │ Hpl + O --> Opl + H          36879.9\n"
     ]
    }
   ],
   "source": [
    "print_dominant_reactions(ncur, :H, 0.33; use_ion=false, Tn=vardict[\"Tn_arr\"][2:end-1], Ti=vardict[\"Ti_arr\"][2:end-1], Te=vardict[\"Te_arr\"][2:end-1], \n",
    "                                   all_species=vardict[\"all_species\"], ion_species=vardict[\"ion_species\"], reaction_network=reaction_network,\n",
    "                                   num_layers, dz)"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "816ff59a-da99-432c-8b24-0fee1471d3dc",
   "metadata": {
    "jp-MarkdownHeadingCollapsed": true,
    "tags": []
   },
   "source": [
    "# Dominant reactions for H2O"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 209,
   "id": "d665c68d-9366-4362-a4ee-2f9ddc395ffe",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Column rates will be collected for reaction type = krates and species role = both\n",
      "The sum of all 57 reactions is: 3.599391832775264e10\n",
      "33.0% of reactions is 18/57\n",
      "The column rate of top 33.0% of reactions is 3.59939176113226e10\n",
      "Which equates to 99.99999800958031% of the total column rate.\n",
      "\n",
      "\u001b[1m18×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                          \u001b[0m\u001b[1m Value           \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                       \u001b[0m\u001b[90m Float64         \u001b[0m\n",
      "─────┼───────────────────────────────────────────────\n",
      "   1 │ HO2 + OH --> H2O + O2              3.06452e10\n",
      "   2 │ O1D + H2O --> OH + OH              1.62693e9\n",
      "   3 │ OH + H2 --> H2O + H                1.61533e9\n",
      "   4 │ OH + H2O2 --> H2O + HO2            1.09603e9\n",
      "   5 │ HO2 + H --> H2O + O1D              9.67687e8\n",
      "   6 │ OH + OH --> H2O + O                3.56231e7\n",
      "   7 │ OH + H + CO2 --> H2O + CO2         3.69939e6\n",
      "   8 │ H + H2O2 --> H2O + OH              1.42154e6\n",
      "   9 │ H2O2 + H --> H2O + OH              1.42154e6\n",
      "  10 │ OH + HD --> H2O + D           300805.0\n",
      "  11 │ OH + HDO2 --> H2O + DO2            1.48677e5\n",
      "  12 │ HCOpl + H2O --> H3Opl + CO     60708.7\n",
      "  13 │ CO2pl + H2O --> H2Opl + CO2    31542.2\n",
      "  14 │ CO2pl + H2O --> HCO2pl + OH    23211.5\n",
      "  15 │ H3Opl + E --> H2O + H          15611.6\n",
      "  16 │ H2Opl + O2 --> O2pl + H2O       4391.36\n",
      "  17 │ HOCO + OH --> CO2 + H2O          553.155\n",
      "  18 │ HCO2pl + H2O --> H3Opl + CO2     433.383\n"
     ]
    }
   ],
   "source": [
    "print_dominant_reactions(ncur, :H2O, 0.33; use_ion=false, Tn=vardict[\"Tn_arr\"][2:end-1], Ti=vardict[\"Ti_arr\"][2:end-1], Te=vardict[\"Te_arr\"][2:end-1], \n",
    "                                   all_species=vardict[\"all_species\"], ion_species=vardict[\"ion_species\"], reaction_network=reaction_network,\n",
    "                                   num_layers, dz)"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "8ce866a3-3cd2-46d3-98b3-02369d641095",
   "metadata": {
    "jp-MarkdownHeadingCollapsed": true,
    "tags": []
   },
   "source": [
    "# Dominant reactions for OH"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 210,
   "id": "3100816d-59ac-4434-87aa-783abafe6bb3",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Column rates will be collected for reaction type = krates and species role = both\n",
      "The sum of all 102 reactions is: 3.063854424653401e12\n",
      "33.0% of reactions is 33/102\n",
      "The column rate of top 33.0% of reactions is 3.063853168714076e12\n",
      "Which equates to 99.99995900786557% of the total column rate.\n",
      "\n",
      "\u001b[1m33×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                        \u001b[0m\u001b[1m Value           \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                     \u001b[0m\u001b[90m Float64         \u001b[0m\n",
      "─────┼─────────────────────────────────────────────\n",
      "   1 │ CO + OH --> CO2 + H              1.344e12\n",
      "   2 │ HO2 + O --> O2 + OH              1.34282e12\n",
      "   3 │ OH + O --> O2 + H                2.05675e11\n",
      "   4 │ O3 + H --> O2 + OH               8.61523e10\n",
      "   5 │ HO2 + H --> OH + OH              4.35459e10\n",
      "   6 │ HO2 + OH --> H2O + O2            3.06452e10\n",
      "   7 │ CO + OH --> HOCO                 5.95397e9\n",
      "   8 │ O1D + H2O --> OH + OH            1.62693e9\n",
      "   9 │ OH + H2 --> H2O + H              1.61533e9\n",
      "  10 │ OH + H2O2 --> H2O + HO2          1.09603e9\n",
      "  11 │ O3 + HO2 --> O2 + O2 + OH        3.59553e8\n",
      "  12 │ O1D + H2 --> OH + H              1.32058e8\n",
      "  13 │ O3 + OH --> HO2 + O2             6.05858e7\n",
      "  14 │ OH + OH --> H2O + O              3.56231e7\n",
      "  15 │ OH + D --> OD + H                2.00481e7\n",
      "  16 │ O + H --> OH                     1.91269e7\n",
      "  17 │ H2 + O --> OH + H                1.87528e7\n",
      "  18 │ H + DO2 --> OH + OD              1.57421e7\n",
      "  19 │ D + HO2 --> OH + OD              1.33503e7\n",
      "  20 │ H2O2 + O --> HO2 + OH            1.07641e7\n",
      "  21 │ O + H2O2 --> OH + HO2            1.07641e7\n",
      "  22 │ OH + DO2 --> HDO + O2            8.90007e6\n",
      "  23 │ OH + H + CO2 --> H2O + CO2       3.69939e6\n",
      "  24 │ HCO + O2 --> CO2 + OH            3.25867e6\n",
      "  25 │ O1D + HDO --> OD + OH            2.78704e6\n",
      "  26 │ HCO2pl + E --> CO + OH           2.11468e6\n",
      "  27 │ H + H2O2 --> H2O + OH            1.42154e6\n",
      "  28 │ H2O2 + H --> H2O + OH            1.42154e6\n",
      "  29 │ HCOpl + E --> OH + C             8.2702e5\n",
      "  30 │ OH + HD --> HDO + H              7.62911e5\n",
      "  31 │ HCO + O --> CO + OH              3.41079e5\n",
      "  32 │ OD + H --> OH + D                3.14005e5\n",
      "  33 │ OH + HD --> H2O + D         300805.0\n"
     ]
    }
   ],
   "source": [
    "print_dominant_reactions(ncur, :OH, 0.33; use_ion=false, Tn=vardict[\"Tn_arr\"][2:end-1], Ti=vardict[\"Ti_arr\"][2:end-1], Te=vardict[\"Te_arr\"][2:end-1], \n",
    "                                   all_species=vardict[\"all_species\"], ion_species=vardict[\"ion_species\"], reaction_network=reaction_network,\n",
    "                                   num_layers, dz)"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "2b57c31c-a4ad-4036-88ed-8c271ede817d",
   "metadata": {
    "jp-MarkdownHeadingCollapsed": true,
    "tags": []
   },
   "source": [
    "# Dominant reactions for HCO"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 211,
   "id": "c054d2ad-ad12-4e37-a5b0-5de97b1b4d07",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Column rates will be collected for reaction type = krates and species role = both\n",
      "The sum of all 31 reactions is: 5.242318647211368e7\n",
      "33.0% of reactions is 10/31\n",
      "The column rate of top 33.0% of reactions is 5.242318481440615e7\n",
      "Which equates to 99.99999683783524% of the total column rate.\n",
      "\n",
      "\u001b[1m10×2 DataFrame\u001b[0m\n",
      "\u001b[1m Row \u001b[0m│\u001b[1m Rxn                       \u001b[0m\u001b[1m Value         \u001b[0m\n",
      "\u001b[1m     \u001b[0m│\u001b[90m String                    \u001b[0m\u001b[90m Float64       \u001b[0m\n",
      "─────┼──────────────────────────────────────────\n",
      "   1 │ CO + H --> HCO                 2.61704e7\n",
      "   2 │ HCO + O2 --> HO2 + CO          2.22961e7\n",
      "   3 │ HCO + O2 --> CO2 + OH          3.25867e6\n",
      "   4 │ HCO + O --> CO + OH            3.41079e5\n",
      "   5 │ HCO + O --> CO2 + H            3.41079e5\n",
      "   6 │ HCO + H --> CO + H2        14080.3\n",
      "   7 │ NHpl + CO2 --> NOpl + HCO   1635.31\n",
      "   8 │ HCO + OH --> H2O + CO        132.454\n",
      "   9 │ HCO + D --> CO + HD            5.67946\n",
      "  10 │ O2pl + HCO --> HCOpl + O2      1.60158\n"
     ]
    }
   ],
   "source": [
    "print_dominant_reactions(ncur, :HCO, 0.33; use_ion=true, Tn=vardict[\"Tn_arr\"][2:end-1], Ti=vardict[\"Ti_arr\"][2:end-1], Te=vardict[\"Te_arr\"][2:end-1], \n",
    "                                   all_species=vardict[\"all_species\"], ion_species=vardict[\"ion_species\"], reaction_network=reaction_network,\n",
    "                                   num_layers, dz)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "2b5528bc-e65e-45a8-8a22-11184c1fcf5d",
   "metadata": {},
   "outputs": [],
   "source": []
  }
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