7-get-flavonoid-example.ipynb

{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {},
   "outputs": [],
   "source": [
    "import os\n",
    "import sys\n",
    "import gensim\n",
    "import numpy as np\n",
    "import pandas as pd\n",
    "from matplotlib import pyplot as plt\n",
    "import pickle\n",
    "import networkx as nx\n",
    "\n",
    "ROOT = os.path.dirname(os.getcwd())\n",
    "#path_data = os.path.join(ROOT, 'data')\n",
    "path_data = 'C:\\\\Users\\\\joris\\\\Documents\\\\eScience_data\\\\data'\n",
    "sys.path.insert(0, ROOT)\n",
    "sys.path.insert(0, \"C:\\\\Users\\\\joris\\\\Documents\\\\eScience_data\\\\spec2vec_gnps_data_analysis\\\\custom_functions\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "C:\\Users\\joris\\Documents\\eScience_data\\data\\gnps_positive_ionmode_cleaned_by_matchms_and_lookups.pickle\n",
      "number of spectra: 112956\n"
     ]
    }
   ],
   "source": [
    "from matchms.importing import load_from_json\n",
    "outfile = os.path.join(path_data, 'gnps_positive_ionmode_cleaned_by_matchms_and_lookups.pickle')\n",
    "print(outfile)\n",
    "if os.path.exists(outfile):\n",
    "    with open(outfile, 'rb') as inf:\n",
    "        spectrums = pickle.load(inf)\n",
    "else:\n",
    "    filename = os.path.join(path_data,'gnps_positive_ionmode_cleaned_by_matchms_and_lookups.json')\n",
    "    spectrums = load_from_json(filename)\n",
    "    with open(outfile, 'wb') as outf:\n",
    "        pickle.dump(spectrums, outf)\n",
    "\n",
    "print(\"number of spectra:\", len(spectrums))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 13,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Found 293 spectra containing target name\n"
     ]
    }
   ],
   "source": [
    "targets = []\n",
    "target_name = \"kaempferol\"\n",
    "for spectrum in spectrums:\n",
    "    comp_name = spectrum.metadata.get(\"compound_name\")\n",
    "    if comp_name:\n",
    "        if target_name in comp_name.lower():\n",
    "            targets.append(spectrum)\n",
    "print(f\"Found {len(targets)} spectra containing target name\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 18,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "0 Kaempferol\n",
      "1 kaempferol-3-O-robinobioside\n",
      "2 kaempferol-3-O-glucoside\n",
      "3 kaempferol\n",
      "4 kaempferol-3-O-hexoxyl-hexoside\n",
      "5 kaempferol-3-O-hexoxyl-hexoside\n",
      "6 kaempferol-7-O-hexosyl-deoxyhexoside\n",
      "7 kaempferol-7-O-hexoside\n",
      "8 kaempferol-3-O-pentoside\n",
      "9 kaempferol-3-O-pentoxyl-pentoside\n",
      "10 kaempferol-7-O-deoxyhexoside\n",
      "11 kaempferol-O-pentosyl-pentoside acetate\n",
      "12 kaempferol-O-pentosyl-deoxyhexoside\n",
      "13 kaempferol-O-acetylhexoside\n",
      "14 methoxy-methylkaempferol-O-hexosyl-deoxyhexoside\n",
      "15 kaempferol\n",
      "16 kaempferol\n",
      "17 Kaempferol\n",
      "18 Kaempferol-Glucoside\n",
      "19 Kaempferol\n",
      "20 Kaempferol 3-O-rutinoside\n",
      "21 Kaempferol 3-O-rutinoside\n",
      "22 Dihydrokaempferol\n",
      "23 Kaempferol 3-O-rutinoside\n",
      "24 Dihydrokaempferol\n",
      "25 Kaempferol 3-O-rutinoside\n",
      "26 Kaempferol 3-O-rutinoside\n",
      "27 Kaempferol\n",
      "28 Kaempferol 3-O-rutinoside\n",
      "29 Kaempferol\n",
      "30 Kaempferol 3-O-rutinoside\n",
      "31 Kaempferol 3-O-rutinoside\n",
      "32 Kaempferol 3-O-rutinoside\n",
      "33 Kaempferol\n",
      "34 Kaempferol 3-O-rutinoside\n",
      "35 Dihydrokaempferol\n",
      "36 Kaempferol 3-O-rutinoside\n",
      "37 Kaempferol 3-O-rutinoside\n",
      "38 Kaempferol-7-O-neohesperidoside\n",
      "39 Kaempferol\n",
      "40 Kaempferol\n",
      "41 Kaempferol\n",
      "42 FIO00170 Kaempferol-7-neohesperidoside\n",
      "43 FIO00171 Kaempferol-7-neohesperidoside\n",
      "44 FIO00172 Kaempferol-7-neohesperidoside\n",
      "45 FIO00173 Kaempferol-7-neohesperidoside\n",
      "46 FIO00174 Kaempferol-7-neohesperidoside\n",
      "47 FIO00170 Kaempferol-7-neohesperidoside\n",
      "48 FIO00171 Kaempferol-7-neohesperidoside\n",
      "49 FIO00172 Kaempferol-7-neohesperidoside\n",
      "50 FIO00173 Kaempferol-7-neohesperidoside\n",
      "51 FIO00174 Kaempferol-7-neohesperidoside\n",
      "52 kaempferol-3-rhamnoglucoside\n",
      "53 Kaempferol-3-O-b-glucopyranosy\n",
      "54 Kaempferol-3-galactoside-7-rhamnoside\n",
      "55 Kaempferol-3-Galactoside-6-Rhamnoside-3-Rhamnoside\n",
      "56 Kaempferol-3-Glucoside-2-Rhamnoside,-7-Rhamnoside?\n",
      "57 Kaempferol-3-Glucoside-2-p-coumaroyl\n",
      "58 Kaempferol-3-Glucoside-3-Rhamnoside\n",
      "59 Kaempferol-3-Rhamnoside-4-Rhamnoside,-7-Rhamnoside\n",
      "60 Kaempferol-3-O-alpha-L-arabinopyranoside\n",
      "61 Kaempferol-3-glucuronoside\n",
      "62 Kaempferol-3-Glucoside-6-p-coumaroyl\n",
      "63 Kaempferol-3-O-alpha-L-rhamnopyranosyl\n",
      "64 Kaempferol-3-O-b-glucopyranosy\n",
      "65 kaempferol 7-neohesperidoside\n",
      "66 kaempferol 7-neohesperidoside\n",
      "67 kaempferol\n",
      "68 kaempferol\n",
      "69 Kaempferol 3-alpha-L-arabinopyranoside\n",
      "70 Kaempferol 3-alpha-L-arabinopyranoside\n",
      "71 Kaempferol 3-glucuronide\n",
      "72 Kaempferol 3-glucuronide\n",
      "73 kaempferol-3-O-rutinoside\n",
      "74 kaempferol-3-O-rutinoside\n",
      "75 Kaempferol\n",
      "76 Kaempferol\n",
      "77 kaempferol\n",
      "78 kaempferol\n",
      "79 kaempferol\n",
      "80 kaempferol 7-O-glucoside\n",
      "81 kaempferol 7-O-glucoside\n",
      "82 kaempferol 7-O-glucoside\n",
      "83 kaempferol 7-neohesperidoside\n",
      "84 kaempferol 7-neohesperidoside\n",
      "85 kaempferol 7-neohesperidoside\n",
      "86 kaempferol\n",
      "87 kaempferol\n",
      "88 kaempferol\n",
      "89 Kaempferol\n",
      "90 Kaempferol\n",
      "91 Kaempferol\n",
      "92 Kaempferol 3-alpha-L-arabinopyranoside\n",
      "93 Kaempferol 3-alpha-L-arabinopyranoside\n",
      "94 Kaempferol 3-alpha-L-arabinopyranoside\n",
      "95 Kaempferol 3-alpha-L-arabinopyranoside\n",
      "96 Kaempferol 3-alpha-L-arabinopyranoside\n",
      "97 Kaempferol 3-alpha-L-arabinopyranoside\n",
      "98 Kaempferol 3-alpha-L-arabinopyranoside\n",
      "99 Kaempferol 3-alpha-L-arabinopyranoside\n",
      "100 Kaempferol 3-alpha-L-arabinopyranoside\n",
      "101 Kaempferol 3-glucuronide\n",
      "102 Kaempferol 3-glucuronide\n",
      "103 Kaempferol 3-glucuronide\n",
      "104 Kaempferol 3-glucuronide\n",
      "105 Kaempferol 3-glucuronide\n",
      "106 Kaempferol 3-glucuronide\n",
      "107 Kaempferol 3-glucuronide\n",
      "108 Kaempferol 3-glucuronide\n",
      "109 Kaempferol 3-glucuronide\n",
      "110 kaempferol-3-O-rutinoside\n",
      "111 kaempferol-3-O-rutinoside\n",
      "112 kaempferol-3-O-rutinoside\n",
      "113 kaempferol-3-O-rutinoside\n",
      "114 kaempferol-3-O-rutinoside\n",
      "115 kaempferol-3-O-rutinoside\n",
      "116 kaempferol-3-O-rutinoside\n",
      "117 kaempferol-3-O-rutinoside\n",
      "118 kaempferol-3-O-rutinoside\n",
      "119 kaempferol\n",
      "120 kaempferol\n",
      "121 kaempferol\n",
      "122 Kaempferol 3-alpha-L-arabinopyranoside\n",
      "123 Kaempferol 3-alpha-L-arabinopyranoside\n",
      "124 Kaempferol 3-alpha-L-arabinopyranoside\n",
      "125 Kaempferol 3-glucuronide\n",
      "126 Kaempferol 3-glucuronide\n",
      "127 Kaempferol 3-glucuronide\n",
      "128 kaempferol-3-O-rutinoside\n",
      "129 kaempferol-3-O-rutinoside\n",
      "130 kaempferol-3-O-rutinoside\n",
      "131 kaempferol 7-neohesperidoside\n",
      "132 kaempferol 7-neohesperidoside\n",
      "133 kaempferol 7-neohesperidoside\n",
      "134 kaempferol\n",
      "135 kaempferol\n",
      "136 kaempferol\n",
      "137 kaempferol 7-O-glucoside\n",
      "138 kaempferol 7-O-glucoside\n",
      "139 kaempferol 7-O-glucoside\n",
      "140 Kaempferol-7-O-neohesperidoside\n",
      "141 Kaempferol 3-O-rutinoside\n",
      "142 Kaempferol-3-O-glu-7-O-glu\n",
      "143 Kaempferol 3-O-glucose-7-O-glucose\n",
      "144 Kaempferol\n",
      "145 Kaempferol 3-O-beta-glucopyranoside-7-O-alpha-rhamnopyranoside\n",
      "146 Kaempferol malonylhexose\n",
      "147 Kaempferol pentose hexose glucuronide\n",
      "148 Kaempferol hexose glucuronide\n",
      "149 Kaempferol dihexose\n",
      "150 Kaempferol pentose glucuronide\n",
      "151 Kaempferol glucuronide\n",
      "152 Kaempferol hexose\n",
      "153 Kaempferol coumaroyl hexose\n",
      "154 Kaempferol 3-O-(2''-O-a-rhamnosyl-6''-O-malonyl)-b-glucoside\n",
      "155 Kaempferol 3-2G-rhamnosyl rutinoside\n",
      "156 Kaempferol 3-neo hesperidoside\n",
      "157 Kaempferol 3-rutinoside\n",
      "158 Kaempferol 3-Glucoside\n",
      "159 Kaempferol O-hexosyl-rhamnoside I\n",
      "160 Kaempferol O-hexosyl-rhamnoside II\n",
      "161 Kaempferol O-di-hexoside\n",
      "162 Kaempferol O-rhamnoside, O-hexosyl-rhamnoside hexoside\n",
      "163 Kaempferol O-hexoside, O-hexosyl-rhamnoside\n",
      "164 Kaempferol O-hexoside malonylated\n",
      "165 Kaempferol O-di-hexoside malonylated I\n",
      "166 Kaempferol O-di-hexoside malonylated II\n",
      "167 Kaempferol-pentoside\n",
      "168 Kaempferol-deoxyhexoside\n",
      "169 Kaempferol-(3-hydroxy-3-methylglutaroyl) rhamnoside\n",
      "170 Kaempferol-hexose-deoxyhexoside\n",
      "171 Kaempferol-hexoside\n",
      "172 Kaempferol hexoside\n",
      "173 Kaempferol-O,C-dipentoside\n",
      "174 Kaempferol pentoside\n",
      "175 Kaempferol 3,7-O-dirhamnopyranoside\n",
      "176 Kaempferol-3-arabinoside-7-rhamnoside\n",
      "177 Kaempferol-3-glucoside\n",
      "178 Kaempferol-3-glucoside-7-hexoside\n",
      "179 Kaempferol-3-O-a-L-rhamnosyl(1,2)-b-D-glucoside-7-O-a-L-rhamnoside\n",
      "180 Kaempferol-3-O-b-glucoside-7-O-a-rhamnoside\n",
      "181 Kaempferol-3-rhamnoside-7-glucoside\n",
      "182 Kaempferol-dihexoside-rhamnoside\n",
      "183 Kaempferol-dihexoside-rhamnoside\n",
      "184 Kaempferol-hexoside\n",
      "185 Kaempferol-hexoside-dirhamnoside\n",
      "186 Kaempferol-trihexoside\n",
      "187 Kaempferol-trirhamnoside\n",
      "188 kaempferol-3-rhamnoglucoside\n",
      "189 kaempferol-3-rhamnoglucoside\n",
      "190 kaempferol-3-rhamnoglucoside\n",
      "191 kaempferol-3-rhamnoglucoside\n",
      "192 kaempferol-3-rhamnoglucoside\n",
      "193 kaempferol-3-rhamnoglucoside\n",
      "194 kaempferol-3-rhamnoglucoside\n",
      "195 kaempferol-3-rhamnoglucoside\n",
      "196 kaempferol-3-rhamnoglucoside\n",
      "197 kaempferol-3-rhamnoglucoside\n",
      "198 kaempferol-3-rhamnoglucoside\n",
      "199 kaempferol-3-rhamnoglucoside\n",
      "200 Kaempferol-3-glucoside-7-rhamnoside\n",
      "201 Kaempferol-3-glucoside-7-rhamnoside\n",
      "202 Kaempferol-3-glucoside-7-rhamnoside\n",
      "203 Kaempferol-3-glucoside-7-rhamnoside\n",
      "204 Kaempferol-3-glucoside-7-rhamnoside\n",
      "205 Kaempferol-3-glucoside-7-rhamnoside\n",
      "206 Kaempferol-3-glucoside-7-rhamnoside\n",
      "207 Kaempferol-3-glucoside-7-rhamnoside\n",
      "208 Kaempferol-3-glucoside-7-rhamnoside\n",
      "209 Kaempferol-3-glucoside-7-rhamnoside\n",
      "210 Kaempferol-3-galactoside-7-rhamnoside\n",
      "211 Kaempferol-3-galactoside-7-rhamnoside\n",
      "212 Kaempferol-3-galactoside-7-rhamnoside\n",
      "213 Kaempferol-3-galactoside-7-rhamnoside\n",
      "214 Kaempferol-3-galactoside-7-rhamnoside\n",
      "215 Kaempferol-3-galactoside-7-rhamnoside\n",
      "216 Kaempferol-3-galactoside-7-rhamnoside\n",
      "217 Kaempferol-3-galactoside-7-rhamnoside\n",
      "218 Kaempferol-3-galactoside-7-rhamnoside\n",
      "219 Kaempferol-3-galactoside-7-rhamnoside\n",
      "220 Kaempferol-3-rungioside\n",
      "221 Kaempferol-3-rungioside\n",
      "222 Kaempferol-3-rungioside\n",
      "223 Kaempferol-3-rungioside\n",
      "224 Kaempferol-3-rungioside\n",
      "225 Kaempferol-3-rungioside\n",
      "226 Kaempferol-3-rungioside\n",
      "227 Kaempferol-3-rungioside\n",
      "228 Kaempferol-3-rungioside\n",
      "229 Kaempferol-3-rungioside\n",
      "230 Kaempferol-3-rungioside\n",
      "231 Kaempferol-3-rungioside\n",
      "232 Kaempferol-3-O-alpha-L-arabinopyranoside\n",
      "233 Kaempferol-3-O-alpha-L-arabinopyranoside\n",
      "234 Kaempferol-3-O-alpha-L-arabinopyranoside\n",
      "235 Kaempferol-3-O-alpha-L-arabinopyranoside\n",
      "236 Kaempferol-3-O-alpha-L-arabinopyranoside\n",
      "237 Kaempferol-3-O-alpha-L-arabinopyranoside\n",
      "238 Kaempferol-3-O-alpha-L-arabinopyranoside\n",
      "239 Kaempferol-3-O-alpha-L-arabinopyranoside\n",
      "240 Kaempferol-3-O-alpha-L-arabinopyranoside\n",
      "241 Kaempferol-3-O-alpha-L-arabinopyranoside\n",
      "242 Kaempferol-3-glucuronoside\n",
      "243 Kaempferol-3-glucuronoside\n",
      "244 Kaempferol-3-glucuronoside\n",
      "245 Kaempferol-3-glucuronoside\n",
      "246 Kaempferol-3-glucuronoside\n",
      "247 Kaempferol-3-glucuronoside\n",
      "248 Kaempferol-3-glucuronoside\n",
      "249 Kaempferol-3-glucuronoside\n",
      "250 Kaempferol-3-glucuronoside\n",
      "251 Kaempferol-3-glucuronoside\n",
      "252 Kaempferol-3-glucuronoside\n",
      "253 Kaempferol-3-glucuronoside\n",
      "254 kaempferol-3-neohesperidoside-7-rhamnoside\n",
      "255 kaempferol-3-neohesperidoside-7-rhamnoside\n",
      "256 kaempferol-3-neohesperidoside-7-rhamnoside\n",
      "257 kaempferol-3-neohesperidoside-7-rhamnoside\n",
      "258 kaempferol-3-neohesperidoside-7-rhamnoside\n",
      "259 kaempferol-3-neohesperidoside-7-rhamnoside\n",
      "260 kaempferol-3-neohesperidoside-7-rhamnoside\n",
      "261 kaempferol-3-neohesperidoside-7-rhamnoside\n",
      "262 kaempferol-3-neohesperidoside-7-rhamnoside\n",
      "263 kaempferol-3-neohesperidoside-7-rhamnoside\n",
      "264 kaempferol-3-neohesperidoside-7-rhamnoside\n",
      "265 Kaempferol-3-glucoside-7-rhamnoside\n",
      "266 Kaempferol-3-glucoside-7-rhamnoside\n",
      "267 Kaempferol-3-glucoside-7-rhamnoside\n",
      "268 Kaempferol-3-glucoside-7-rhamnoside\n",
      "269 Kaempferol-3-glucoside-7-rhamnoside\n",
      "270 Kaempferol-3-glucoside-7-rhamnoside\n",
      "271 Kaempferol-3-glucoside-7-rhamnoside\n",
      "272 Kaempferol-3-glucoside-7-rhamnoside\n",
      "273 Kaempferol-3-glucoside-7-rhamnoside\n",
      "274 Kaempferol-3-glucoside-7-rhamnoside\n",
      "275 Kaempferol-3-glucoside-7-rhamnoside\n",
      "276 Kaempferol-3-galactoside-7-rhamnoside\n",
      "277 Kaempferol-3-rungioside\n",
      "278 kaempferol-3-neohesperidoside-7-rhamnoside\n",
      "279 Kaempferol-3-glucoside-7-rhamnoside\n",
      "280 Kaempferol-3-glucoside-7-rhamnoside\n",
      "281 Kaempferol-3-galactoside-7-rhamnoside\n",
      "282 Kaempferol-3-galactoside-7-rhamnoside\n",
      "283 Kaempferol-3-Glucoside-2-p-coumaroyl-7-Glucoside\n",
      "284 Kaempferol-3-Glucoside-2-p-coumaroyl-7-Glucoside\n",
      "285 Kaempferol-3-rungioside\n",
      "286 kaempferol-3-neohesperidoside-7-rhamnoside\n",
      "287 kaempferol-3-neohesperidoside-7-rhamnoside\n",
      "288 Kaempferol-3-glucoside-7-rhamnoside\n",
      "289 Kaempferol-3-glucoside-7-rhamnoside\n",
      "290 Kaempferol\n",
      "291 Kaempferol\n",
      "292 Kaempferol\n"
     ]
    }
   ],
   "source": [
    "for i, target in enumerate(targets):\n",
    "    print(i, target.get(\"compound_name\"))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 17,
   "metadata": {},
   "outputs": [],
   "source": [
    "# choose number 1: kaempferol-3-O-robinobioside\n",
    "from matchms.exporting import save_as_json\n",
    "outfile = os.path.join(path_data, \"kaempferol-3-O-robinobioside.json\")\n",
    "save_as_json(targets[1:2], outfile)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 20,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "'CCMSLIB00000578388'"
      ]
     },
     "execution_count": 20,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "targets[1].get(\"spectrum_id\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 22,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/svg+xml": [
       "<?xml version=\"1.0\" encoding=\"utf-8\" standalone=\"no\"?>\r\n",
       "<!DOCTYPE svg PUBLIC \"-//W3C//DTD SVG 1.1//EN\"\r\n",
       "  \"http://www.w3.org/Graphics/SVG/1.1/DTD/svg11.dtd\">\r\n",
       "<!-- Created with matplotlib (https://matplotlib.org/) -->\r\n",
       "<svg height=\"290.274375pt\" version=\"1.1\" viewBox=\"0 0 375.653125 290.274375\" width=\"375.653125pt\" xmlns=\"http://www.w3.org/2000/svg\" xmlns:xlink=\"http://www.w3.org/1999/xlink\">\r\n",
       " <metadata>\r\n",
       "  <rdf:RDF xmlns:cc=\"http://creativecommons.org/ns#\" xmlns:dc=\"http://purl.org/dc/elements/1.1/\" xmlns:rdf=\"http://www.w3.org/1999/02/22-rdf-syntax-ns#\">\r\n",
       "   <cc:Work>\r\n",
       "    <dc:type rdf:resource=\"http://purl.org/dc/dcmitype/StillImage\"/>\r\n",
       "    <dc:date>2020-12-11T10:00:45.722736</dc:date>\r\n",
       "    <dc:format>image/svg+xml</dc:format>\r\n",
       "    <dc:creator>\r\n",
       "     <cc:Agent>\r\n",
       "      <dc:title>Matplotlib v3.3.2, https://matplotlib.org/</dc:title>\r\n",
       "     </cc:Agent>\r\n",
       "    </dc:creator>\r\n",
       "   </cc:Work>\r\n",
       "  </rdf:RDF>\r\n",
       " </metadata>\r\n",
       " <defs>\r\n",
       "  <style type=\"text/css\">*{stroke-linecap:butt;stroke-linejoin:round;}</style>\r\n",
       " </defs>\r\n",
       " <g id=\"figure_1\">\r\n",
       "  <g id=\"patch_1\">\r\n",
       "   <path d=\"M 0 290.274375 \r\n",
       "L 375.653125 290.274375 \r\n",
       "L 375.653125 0 \r\n",
       "L 0 0 \r\n",
       "z\r\n",
       "\" style=\"fill:none;\"/>\r\n",
       "  </g>\r\n",
       "  <g id=\"axes_1\">\r\n",
       "   <g id=\"patch_2\">\r\n",
       "    <path d=\"M 66.053125 252.718125 \r\n",
       "L 368.453125 252.718125 \r\n",
       "L 368.453125 22.318125 \r\n",
       "L 66.053125 22.318125 \r\n",
       "z\r\n",
       "\" style=\"fill:#ffffff;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"matplotlib.axis_1\">\r\n",
       "    <g id=\"xtick_1\">\r\n",
       "     <g id=\"line2d_1\">\r\n",
       "      <defs>\r\n",
       "       <path d=\"M 0 0 \r\n",
       "L 0 3.5 \r\n",
       "\" id=\"mbdceb7a7e9\" style=\"stroke:#000000;stroke-width:0.8;\"/>\r\n",
       "      </defs>\r\n",
       "      <g>\r\n",
       "       <use style=\"stroke:#000000;stroke-width:0.8;\" x=\"74.713337\" xlink:href=\"#mbdceb7a7e9\" y=\"252.718125\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "     <g id=\"text_1\">\r\n",
       "      <!-- 100 -->\r\n",
       "      <g transform=\"translate(65.169587 267.316563)scale(0.1 -0.1)\">\r\n",
       "       <defs>\r\n",
       "        <path d=\"M 12.40625 8.296875 \r\n",
       "L 28.515625 8.296875 \r\n",
       "L 28.515625 63.921875 \r\n",
       "L 10.984375 60.40625 \r\n",
       "L 10.984375 69.390625 \r\n",
       "L 28.421875 72.90625 \r\n",
       "L 38.28125 72.90625 \r\n",
       "L 38.28125 8.296875 \r\n",
       "L 54.390625 8.296875 \r\n",
       "L 54.390625 0 \r\n",
       "L 12.40625 0 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-49\"/>\r\n",
       "        <path d=\"M 31.78125 66.40625 \r\n",
       "Q 24.171875 66.40625 20.328125 58.90625 \r\n",
       "Q 16.5 51.421875 16.5 36.375 \r\n",
       "Q 16.5 21.390625 20.328125 13.890625 \r\n",
       "Q 24.171875 6.390625 31.78125 6.390625 \r\n",
       "Q 39.453125 6.390625 43.28125 13.890625 \r\n",
       "Q 47.125 21.390625 47.125 36.375 \r\n",
       "Q 47.125 51.421875 43.28125 58.90625 \r\n",
       "Q 39.453125 66.40625 31.78125 66.40625 \r\n",
       "z\r\n",
       "M 31.78125 74.21875 \r\n",
       "Q 44.046875 74.21875 50.515625 64.515625 \r\n",
       "Q 56.984375 54.828125 56.984375 36.375 \r\n",
       "Q 56.984375 17.96875 50.515625 8.265625 \r\n",
       "Q 44.046875 -1.421875 31.78125 -1.421875 \r\n",
       "Q 19.53125 -1.421875 13.0625 8.265625 \r\n",
       "Q 6.59375 17.96875 6.59375 36.375 \r\n",
       "Q 6.59375 54.828125 13.0625 64.515625 \r\n",
       "Q 19.53125 74.21875 31.78125 74.21875 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-48\"/>\r\n",
       "       </defs>\r\n",
       "       <use xlink:href=\"#DejaVuSans-49\"/>\r\n",
       "       <use x=\"63.623047\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"127.246094\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "    </g>\r\n",
       "    <g id=\"xtick_2\">\r\n",
       "     <g id=\"line2d_2\">\r\n",
       "      <g>\r\n",
       "       <use style=\"stroke:#000000;stroke-width:0.8;\" x=\"131.031081\" xlink:href=\"#mbdceb7a7e9\" y=\"252.718125\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "     <g id=\"text_2\">\r\n",
       "      <!-- 200 -->\r\n",
       "      <g transform=\"translate(121.487331 267.316563)scale(0.1 -0.1)\">\r\n",
       "       <defs>\r\n",
       "        <path d=\"M 19.1875 8.296875 \r\n",
       "L 53.609375 8.296875 \r\n",
       "L 53.609375 0 \r\n",
       "L 7.328125 0 \r\n",
       "L 7.328125 8.296875 \r\n",
       "Q 12.9375 14.109375 22.625 23.890625 \r\n",
       "Q 32.328125 33.6875 34.8125 36.53125 \r\n",
       "Q 39.546875 41.84375 41.421875 45.53125 \r\n",
       "Q 43.3125 49.21875 43.3125 52.78125 \r\n",
       "Q 43.3125 58.59375 39.234375 62.25 \r\n",
       "Q 35.15625 65.921875 28.609375 65.921875 \r\n",
       "Q 23.96875 65.921875 18.8125 64.3125 \r\n",
       "Q 13.671875 62.703125 7.8125 59.421875 \r\n",
       "L 7.8125 69.390625 \r\n",
       "Q 13.765625 71.78125 18.9375 73 \r\n",
       "Q 24.125 74.21875 28.421875 74.21875 \r\n",
       "Q 39.75 74.21875 46.484375 68.546875 \r\n",
       "Q 53.21875 62.890625 53.21875 53.421875 \r\n",
       "Q 53.21875 48.921875 51.53125 44.890625 \r\n",
       "Q 49.859375 40.875 45.40625 35.40625 \r\n",
       "Q 44.1875 33.984375 37.640625 27.21875 \r\n",
       "Q 31.109375 20.453125 19.1875 8.296875 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-50\"/>\r\n",
       "       </defs>\r\n",
       "       <use xlink:href=\"#DejaVuSans-50\"/>\r\n",
       "       <use x=\"63.623047\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"127.246094\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "    </g>\r\n",
       "    <g id=\"xtick_3\">\r\n",
       "     <g id=\"line2d_3\">\r\n",
       "      <g>\r\n",
       "       <use style=\"stroke:#000000;stroke-width:0.8;\" x=\"187.348825\" xlink:href=\"#mbdceb7a7e9\" y=\"252.718125\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "     <g id=\"text_3\">\r\n",
       "      <!-- 300 -->\r\n",
       "      <g transform=\"translate(177.805075 267.316563)scale(0.1 -0.1)\">\r\n",
       "       <defs>\r\n",
       "        <path d=\"M 40.578125 39.3125 \r\n",
       "Q 47.65625 37.796875 51.625 33 \r\n",
       "Q 55.609375 28.21875 55.609375 21.1875 \r\n",
       "Q 55.609375 10.40625 48.1875 4.484375 \r\n",
       "Q 40.765625 -1.421875 27.09375 -1.421875 \r\n",
       "Q 22.515625 -1.421875 17.65625 -0.515625 \r\n",
       "Q 12.796875 0.390625 7.625 2.203125 \r\n",
       "L 7.625 11.71875 \r\n",
       "Q 11.71875 9.328125 16.59375 8.109375 \r\n",
       "Q 21.484375 6.890625 26.8125 6.890625 \r\n",
       "Q 36.078125 6.890625 40.9375 10.546875 \r\n",
       "Q 45.796875 14.203125 45.796875 21.1875 \r\n",
       "Q 45.796875 27.640625 41.28125 31.265625 \r\n",
       "Q 36.765625 34.90625 28.71875 34.90625 \r\n",
       "L 20.21875 34.90625 \r\n",
       "L 20.21875 43.015625 \r\n",
       "L 29.109375 43.015625 \r\n",
       "Q 36.375 43.015625 40.234375 45.921875 \r\n",
       "Q 44.09375 48.828125 44.09375 54.296875 \r\n",
       "Q 44.09375 59.90625 40.109375 62.90625 \r\n",
       "Q 36.140625 65.921875 28.71875 65.921875 \r\n",
       "Q 24.65625 65.921875 20.015625 65.03125 \r\n",
       "Q 15.375 64.15625 9.8125 62.3125 \r\n",
       "L 9.8125 71.09375 \r\n",
       "Q 15.4375 72.65625 20.34375 73.4375 \r\n",
       "Q 25.25 74.21875 29.59375 74.21875 \r\n",
       "Q 40.828125 74.21875 47.359375 69.109375 \r\n",
       "Q 53.90625 64.015625 53.90625 55.328125 \r\n",
       "Q 53.90625 49.265625 50.4375 45.09375 \r\n",
       "Q 46.96875 40.921875 40.578125 39.3125 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-51\"/>\r\n",
       "       </defs>\r\n",
       "       <use xlink:href=\"#DejaVuSans-51\"/>\r\n",
       "       <use x=\"63.623047\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"127.246094\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "    </g>\r\n",
       "    <g id=\"xtick_4\">\r\n",
       "     <g id=\"line2d_4\">\r\n",
       "      <g>\r\n",
       "       <use style=\"stroke:#000000;stroke-width:0.8;\" x=\"243.666569\" xlink:href=\"#mbdceb7a7e9\" y=\"252.718125\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "     <g id=\"text_4\">\r\n",
       "      <!-- 400 -->\r\n",
       "      <g transform=\"translate(234.122819 267.316563)scale(0.1 -0.1)\">\r\n",
       "       <defs>\r\n",
       "        <path d=\"M 37.796875 64.3125 \r\n",
       "L 12.890625 25.390625 \r\n",
       "L 37.796875 25.390625 \r\n",
       "z\r\n",
       "M 35.203125 72.90625 \r\n",
       "L 47.609375 72.90625 \r\n",
       "L 47.609375 25.390625 \r\n",
       "L 58.015625 25.390625 \r\n",
       "L 58.015625 17.1875 \r\n",
       "L 47.609375 17.1875 \r\n",
       "L 47.609375 0 \r\n",
       "L 37.796875 0 \r\n",
       "L 37.796875 17.1875 \r\n",
       "L 4.890625 17.1875 \r\n",
       "L 4.890625 26.703125 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-52\"/>\r\n",
       "       </defs>\r\n",
       "       <use xlink:href=\"#DejaVuSans-52\"/>\r\n",
       "       <use x=\"63.623047\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"127.246094\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "    </g>\r\n",
       "    <g id=\"xtick_5\">\r\n",
       "     <g id=\"line2d_5\">\r\n",
       "      <g>\r\n",
       "       <use style=\"stroke:#000000;stroke-width:0.8;\" x=\"299.984313\" xlink:href=\"#mbdceb7a7e9\" y=\"252.718125\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "     <g id=\"text_5\">\r\n",
       "      <!-- 500 -->\r\n",
       "      <g transform=\"translate(290.440563 267.316563)scale(0.1 -0.1)\">\r\n",
       "       <defs>\r\n",
       "        <path d=\"M 10.796875 72.90625 \r\n",
       "L 49.515625 72.90625 \r\n",
       "L 49.515625 64.59375 \r\n",
       "L 19.828125 64.59375 \r\n",
       "L 19.828125 46.734375 \r\n",
       "Q 21.96875 47.46875 24.109375 47.828125 \r\n",
       "Q 26.265625 48.1875 28.421875 48.1875 \r\n",
       "Q 40.625 48.1875 47.75 41.5 \r\n",
       "Q 54.890625 34.8125 54.890625 23.390625 \r\n",
       "Q 54.890625 11.625 47.5625 5.09375 \r\n",
       "Q 40.234375 -1.421875 26.90625 -1.421875 \r\n",
       "Q 22.3125 -1.421875 17.546875 -0.640625 \r\n",
       "Q 12.796875 0.140625 7.71875 1.703125 \r\n",
       "L 7.71875 11.625 \r\n",
       "Q 12.109375 9.234375 16.796875 8.0625 \r\n",
       "Q 21.484375 6.890625 26.703125 6.890625 \r\n",
       "Q 35.15625 6.890625 40.078125 11.328125 \r\n",
       "Q 45.015625 15.765625 45.015625 23.390625 \r\n",
       "Q 45.015625 31 40.078125 35.4375 \r\n",
       "Q 35.15625 39.890625 26.703125 39.890625 \r\n",
       "Q 22.75 39.890625 18.8125 39.015625 \r\n",
       "Q 14.890625 38.140625 10.796875 36.28125 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-53\"/>\r\n",
       "       </defs>\r\n",
       "       <use xlink:href=\"#DejaVuSans-53\"/>\r\n",
       "       <use x=\"63.623047\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"127.246094\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "    </g>\r\n",
       "    <g id=\"xtick_6\">\r\n",
       "     <g id=\"line2d_6\">\r\n",
       "      <g>\r\n",
       "       <use style=\"stroke:#000000;stroke-width:0.8;\" x=\"356.302057\" xlink:href=\"#mbdceb7a7e9\" y=\"252.718125\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "     <g id=\"text_6\">\r\n",
       "      <!-- 600 -->\r\n",
       "      <g transform=\"translate(346.758307 267.316563)scale(0.1 -0.1)\">\r\n",
       "       <defs>\r\n",
       "        <path d=\"M 33.015625 40.375 \r\n",
       "Q 26.375 40.375 22.484375 35.828125 \r\n",
       "Q 18.609375 31.296875 18.609375 23.390625 \r\n",
       "Q 18.609375 15.53125 22.484375 10.953125 \r\n",
       "Q 26.375 6.390625 33.015625 6.390625 \r\n",
       "Q 39.65625 6.390625 43.53125 10.953125 \r\n",
       "Q 47.40625 15.53125 47.40625 23.390625 \r\n",
       "Q 47.40625 31.296875 43.53125 35.828125 \r\n",
       "Q 39.65625 40.375 33.015625 40.375 \r\n",
       "z\r\n",
       "M 52.59375 71.296875 \r\n",
       "L 52.59375 62.3125 \r\n",
       "Q 48.875 64.0625 45.09375 64.984375 \r\n",
       "Q 41.3125 65.921875 37.59375 65.921875 \r\n",
       "Q 27.828125 65.921875 22.671875 59.328125 \r\n",
       "Q 17.53125 52.734375 16.796875 39.40625 \r\n",
       "Q 19.671875 43.65625 24.015625 45.921875 \r\n",
       "Q 28.375 48.1875 33.59375 48.1875 \r\n",
       "Q 44.578125 48.1875 50.953125 41.515625 \r\n",
       "Q 57.328125 34.859375 57.328125 23.390625 \r\n",
       "Q 57.328125 12.15625 50.6875 5.359375 \r\n",
       "Q 44.046875 -1.421875 33.015625 -1.421875 \r\n",
       "Q 20.359375 -1.421875 13.671875 8.265625 \r\n",
       "Q 6.984375 17.96875 6.984375 36.375 \r\n",
       "Q 6.984375 53.65625 15.1875 63.9375 \r\n",
       "Q 23.390625 74.21875 37.203125 74.21875 \r\n",
       "Q 40.921875 74.21875 44.703125 73.484375 \r\n",
       "Q 48.484375 72.75 52.59375 71.296875 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-54\"/>\r\n",
       "       </defs>\r\n",
       "       <use xlink:href=\"#DejaVuSans-54\"/>\r\n",
       "       <use x=\"63.623047\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"127.246094\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "    </g>\r\n",
       "    <g id=\"text_7\">\r\n",
       "     <!-- M/z -->\r\n",
       "     <g transform=\"translate(208.630469 280.994687)scale(0.1 -0.1)\">\r\n",
       "      <defs>\r\n",
       "       <path d=\"M 9.8125 72.90625 \r\n",
       "L 24.515625 72.90625 \r\n",
       "L 43.109375 23.296875 \r\n",
       "L 61.8125 72.90625 \r\n",
       "L 76.515625 72.90625 \r\n",
       "L 76.515625 0 \r\n",
       "L 66.890625 0 \r\n",
       "L 66.890625 64.015625 \r\n",
       "L 48.09375 14.015625 \r\n",
       "L 38.1875 14.015625 \r\n",
       "L 19.390625 64.015625 \r\n",
       "L 19.390625 0 \r\n",
       "L 9.8125 0 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-77\"/>\r\n",
       "       <path d=\"M 25.390625 72.90625 \r\n",
       "L 33.6875 72.90625 \r\n",
       "L 8.296875 -9.28125 \r\n",
       "L 0 -9.28125 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-47\"/>\r\n",
       "       <path d=\"M 5.515625 54.6875 \r\n",
       "L 48.1875 54.6875 \r\n",
       "L 48.1875 46.484375 \r\n",
       "L 14.40625 7.171875 \r\n",
       "L 48.1875 7.171875 \r\n",
       "L 48.1875 0 \r\n",
       "L 4.296875 0 \r\n",
       "L 4.296875 8.203125 \r\n",
       "L 38.09375 47.515625 \r\n",
       "L 5.515625 47.515625 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-122\"/>\r\n",
       "      </defs>\r\n",
       "      <use xlink:href=\"#DejaVuSans-77\"/>\r\n",
       "      <use x=\"86.279297\" xlink:href=\"#DejaVuSans-47\"/>\r\n",
       "      <use x=\"119.970703\" xlink:href=\"#DejaVuSans-122\"/>\r\n",
       "     </g>\r\n",
       "    </g>\r\n",
       "   </g>\r\n",
       "   <g id=\"matplotlib.axis_2\">\r\n",
       "    <g id=\"ytick_1\">\r\n",
       "     <g id=\"line2d_7\">\r\n",
       "      <defs>\r\n",
       "       <path d=\"M 0 0 \r\n",
       "L -3.5 0 \r\n",
       "\" id=\"m40a232ea64\" style=\"stroke:#000000;stroke-width:0.8;\"/>\r\n",
       "      </defs>\r\n",
       "      <g>\r\n",
       "       <use style=\"stroke:#000000;stroke-width:0.8;\" x=\"66.053125\" xlink:href=\"#m40a232ea64\" y=\"252.718125\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "     <g id=\"text_8\">\r\n",
       "      <!-- 0 -->\r\n",
       "      <g transform=\"translate(52.690625 256.517344)scale(0.1 -0.1)\">\r\n",
       "       <use xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "    </g>\r\n",
       "    <g id=\"ytick_2\">\r\n",
       "     <g id=\"line2d_8\">\r\n",
       "      <g>\r\n",
       "       <use style=\"stroke:#000000;stroke-width:0.8;\" x=\"66.053125\" xlink:href=\"#m40a232ea64\" y=\"206.328876\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "     <g id=\"text_9\">\r\n",
       "      <!-- 100000 -->\r\n",
       "      <g transform=\"translate(20.878125 210.128094)scale(0.1 -0.1)\">\r\n",
       "       <use xlink:href=\"#DejaVuSans-49\"/>\r\n",
       "       <use x=\"63.623047\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"127.246094\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"190.869141\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"254.492188\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"318.115234\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "    </g>\r\n",
       "    <g id=\"ytick_3\">\r\n",
       "     <g id=\"line2d_9\">\r\n",
       "      <g>\r\n",
       "       <use style=\"stroke:#000000;stroke-width:0.8;\" x=\"66.053125\" xlink:href=\"#m40a232ea64\" y=\"159.939626\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "     <g id=\"text_10\">\r\n",
       "      <!-- 200000 -->\r\n",
       "      <g transform=\"translate(20.878125 163.738845)scale(0.1 -0.1)\">\r\n",
       "       <use xlink:href=\"#DejaVuSans-50\"/>\r\n",
       "       <use x=\"63.623047\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"127.246094\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"190.869141\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"254.492188\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"318.115234\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "    </g>\r\n",
       "    <g id=\"ytick_4\">\r\n",
       "     <g id=\"line2d_10\">\r\n",
       "      <g>\r\n",
       "       <use style=\"stroke:#000000;stroke-width:0.8;\" x=\"66.053125\" xlink:href=\"#m40a232ea64\" y=\"113.550377\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "     <g id=\"text_11\">\r\n",
       "      <!-- 300000 -->\r\n",
       "      <g transform=\"translate(20.878125 117.349596)scale(0.1 -0.1)\">\r\n",
       "       <use xlink:href=\"#DejaVuSans-51\"/>\r\n",
       "       <use x=\"63.623047\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"127.246094\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"190.869141\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"254.492188\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"318.115234\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "    </g>\r\n",
       "    <g id=\"ytick_5\">\r\n",
       "     <g id=\"line2d_11\">\r\n",
       "      <g>\r\n",
       "       <use style=\"stroke:#000000;stroke-width:0.8;\" x=\"66.053125\" xlink:href=\"#m40a232ea64\" y=\"67.161128\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "     <g id=\"text_12\">\r\n",
       "      <!-- 400000 -->\r\n",
       "      <g transform=\"translate(20.878125 70.960347)scale(0.1 -0.1)\">\r\n",
       "       <use xlink:href=\"#DejaVuSans-52\"/>\r\n",
       "       <use x=\"63.623047\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"127.246094\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"190.869141\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"254.492188\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"318.115234\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "    </g>\r\n",
       "    <g id=\"text_13\">\r\n",
       "     <!-- intensity -->\r\n",
       "     <g transform=\"translate(14.798438 159.194687)rotate(-90)scale(0.1 -0.1)\">\r\n",
       "      <defs>\r\n",
       "       <path d=\"M 9.421875 54.6875 \r\n",
       "L 18.40625 54.6875 \r\n",
       "L 18.40625 0 \r\n",
       "L 9.421875 0 \r\n",
       "z\r\n",
       "M 9.421875 75.984375 \r\n",
       "L 18.40625 75.984375 \r\n",
       "L 18.40625 64.59375 \r\n",
       "L 9.421875 64.59375 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-105\"/>\r\n",
       "       <path d=\"M 54.890625 33.015625 \r\n",
       "L 54.890625 0 \r\n",
       "L 45.90625 0 \r\n",
       "L 45.90625 32.71875 \r\n",
       "Q 45.90625 40.484375 42.875 44.328125 \r\n",
       "Q 39.84375 48.1875 33.796875 48.1875 \r\n",
       "Q 26.515625 48.1875 22.3125 43.546875 \r\n",
       "Q 18.109375 38.921875 18.109375 30.90625 \r\n",
       "L 18.109375 0 \r\n",
       "L 9.078125 0 \r\n",
       "L 9.078125 54.6875 \r\n",
       "L 18.109375 54.6875 \r\n",
       "L 18.109375 46.1875 \r\n",
       "Q 21.34375 51.125 25.703125 53.5625 \r\n",
       "Q 30.078125 56 35.796875 56 \r\n",
       "Q 45.21875 56 50.046875 50.171875 \r\n",
       "Q 54.890625 44.34375 54.890625 33.015625 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-110\"/>\r\n",
       "       <path d=\"M 18.3125 70.21875 \r\n",
       "L 18.3125 54.6875 \r\n",
       "L 36.8125 54.6875 \r\n",
       "L 36.8125 47.703125 \r\n",
       "L 18.3125 47.703125 \r\n",
       "L 18.3125 18.015625 \r\n",
       "Q 18.3125 11.328125 20.140625 9.421875 \r\n",
       "Q 21.96875 7.515625 27.59375 7.515625 \r\n",
       "L 36.8125 7.515625 \r\n",
       "L 36.8125 0 \r\n",
       "L 27.59375 0 \r\n",
       "Q 17.1875 0 13.234375 3.875 \r\n",
       "Q 9.28125 7.765625 9.28125 18.015625 \r\n",
       "L 9.28125 47.703125 \r\n",
       "L 2.6875 47.703125 \r\n",
       "L 2.6875 54.6875 \r\n",
       "L 9.28125 54.6875 \r\n",
       "L 9.28125 70.21875 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-116\"/>\r\n",
       "       <path d=\"M 56.203125 29.59375 \r\n",
       "L 56.203125 25.203125 \r\n",
       "L 14.890625 25.203125 \r\n",
       "Q 15.484375 15.921875 20.484375 11.0625 \r\n",
       "Q 25.484375 6.203125 34.421875 6.203125 \r\n",
       "Q 39.59375 6.203125 44.453125 7.46875 \r\n",
       "Q 49.3125 8.734375 54.109375 11.28125 \r\n",
       "L 54.109375 2.78125 \r\n",
       "Q 49.265625 0.734375 44.1875 -0.34375 \r\n",
       "Q 39.109375 -1.421875 33.890625 -1.421875 \r\n",
       "Q 20.796875 -1.421875 13.15625 6.1875 \r\n",
       "Q 5.515625 13.8125 5.515625 26.8125 \r\n",
       "Q 5.515625 40.234375 12.765625 48.109375 \r\n",
       "Q 20.015625 56 32.328125 56 \r\n",
       "Q 43.359375 56 49.78125 48.890625 \r\n",
       "Q 56.203125 41.796875 56.203125 29.59375 \r\n",
       "z\r\n",
       "M 47.21875 32.234375 \r\n",
       "Q 47.125 39.59375 43.09375 43.984375 \r\n",
       "Q 39.0625 48.390625 32.421875 48.390625 \r\n",
       "Q 24.90625 48.390625 20.390625 44.140625 \r\n",
       "Q 15.875 39.890625 15.1875 32.171875 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-101\"/>\r\n",
       "       <path d=\"M 44.28125 53.078125 \r\n",
       "L 44.28125 44.578125 \r\n",
       "Q 40.484375 46.53125 36.375 47.5 \r\n",
       "Q 32.28125 48.484375 27.875 48.484375 \r\n",
       "Q 21.1875 48.484375 17.84375 46.4375 \r\n",
       "Q 14.5 44.390625 14.5 40.28125 \r\n",
       "Q 14.5 37.15625 16.890625 35.375 \r\n",
       "Q 19.28125 33.59375 26.515625 31.984375 \r\n",
       "L 29.59375 31.296875 \r\n",
       "Q 39.15625 29.25 43.1875 25.515625 \r\n",
       "Q 47.21875 21.78125 47.21875 15.09375 \r\n",
       "Q 47.21875 7.46875 41.1875 3.015625 \r\n",
       "Q 35.15625 -1.421875 24.609375 -1.421875 \r\n",
       "Q 20.21875 -1.421875 15.453125 -0.5625 \r\n",
       "Q 10.6875 0.296875 5.421875 2 \r\n",
       "L 5.421875 11.28125 \r\n",
       "Q 10.40625 8.6875 15.234375 7.390625 \r\n",
       "Q 20.0625 6.109375 24.8125 6.109375 \r\n",
       "Q 31.15625 6.109375 34.5625 8.28125 \r\n",
       "Q 37.984375 10.453125 37.984375 14.40625 \r\n",
       "Q 37.984375 18.0625 35.515625 20.015625 \r\n",
       "Q 33.0625 21.96875 24.703125 23.78125 \r\n",
       "L 21.578125 24.515625 \r\n",
       "Q 13.234375 26.265625 9.515625 29.90625 \r\n",
       "Q 5.8125 33.546875 5.8125 39.890625 \r\n",
       "Q 5.8125 47.609375 11.28125 51.796875 \r\n",
       "Q 16.75 56 26.8125 56 \r\n",
       "Q 31.78125 56 36.171875 55.265625 \r\n",
       "Q 40.578125 54.546875 44.28125 53.078125 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-115\"/>\r\n",
       "       <path d=\"M 32.171875 -5.078125 \r\n",
       "Q 28.375 -14.84375 24.75 -17.8125 \r\n",
       "Q 21.140625 -20.796875 15.09375 -20.796875 \r\n",
       "L 7.90625 -20.796875 \r\n",
       "L 7.90625 -13.28125 \r\n",
       "L 13.1875 -13.28125 \r\n",
       "Q 16.890625 -13.28125 18.9375 -11.515625 \r\n",
       "Q 21 -9.765625 23.484375 -3.21875 \r\n",
       "L 25.09375 0.875 \r\n",
       "L 2.984375 54.6875 \r\n",
       "L 12.5 54.6875 \r\n",
       "L 29.59375 11.921875 \r\n",
       "L 46.6875 54.6875 \r\n",
       "L 56.203125 54.6875 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-121\"/>\r\n",
       "      </defs>\r\n",
       "      <use xlink:href=\"#DejaVuSans-105\"/>\r\n",
       "      <use x=\"27.783203\" xlink:href=\"#DejaVuSans-110\"/>\r\n",
       "      <use x=\"91.162109\" xlink:href=\"#DejaVuSans-116\"/>\r\n",
       "      <use x=\"130.371094\" xlink:href=\"#DejaVuSans-101\"/>\r\n",
       "      <use x=\"191.894531\" xlink:href=\"#DejaVuSans-110\"/>\r\n",
       "      <use x=\"255.273438\" xlink:href=\"#DejaVuSans-115\"/>\r\n",
       "      <use x=\"307.373047\" xlink:href=\"#DejaVuSans-105\"/>\r\n",
       "      <use x=\"335.15625\" xlink:href=\"#DejaVuSans-116\"/>\r\n",
       "      <use x=\"374.365234\" xlink:href=\"#DejaVuSans-121\"/>\r\n",
       "     </g>\r\n",
       "    </g>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_12\">\r\n",
       "    <path clip-path=\"url(#pac47c1dbfe)\" d=\"M 79.79858 252.718125 \r\n",
       "L 79.79858 252.608646 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_13\">\r\n",
       "    <path clip-path=\"url(#pac47c1dbfe)\" d=\"M 89.938842 252.718125 \r\n",
       "L 89.938842 252.430512 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_14\">\r\n",
       "    <path clip-path=\"url(#pac47c1dbfe)\" d=\"M 91.074701 252.718125 \r\n",
       "L 91.074701 252.434223 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_15\">\r\n",
       "    <path clip-path=\"url(#pac47c1dbfe)\" d=\"M 100.083984 252.718125 \r\n",
       "L 100.083984 252.50659 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_16\">\r\n",
       "    <path clip-path=\"url(#pac47c1dbfe)\" d=\"M 101.216707 252.718125 \r\n",
       "L 101.216707 252.60308 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_17\">\r\n",
       "    <path clip-path=\"url(#pac47c1dbfe)\" d=\"M 111.333491 252.718125 \r\n",
       "L 111.333491 252.573391 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_18\">\r\n",
       "    <path clip-path=\"url(#pac47c1dbfe)\" d=\"M 121.472937 252.718125 \r\n",
       "L 121.472937 252.63648 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_19\">\r\n",
       "    <path clip-path=\"url(#pac47c1dbfe)\" d=\"M 162.057805 252.718125 \r\n",
       "L 162.057805 252.569679 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_20\">\r\n",
       "    <path clip-path=\"url(#pac47c1dbfe)\" d=\"M 172.197723 252.718125 \r\n",
       "L 172.197723 252.571535 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_21\">\r\n",
       "    <path clip-path=\"url(#pac47c1dbfe)\" d=\"M 179.263444 252.718125 \r\n",
       "L 179.263444 252.573391 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_22\">\r\n",
       "    <path clip-path=\"url(#pac47c1dbfe)\" d=\"M 179.927405 252.718125 \r\n",
       "L 179.927405 252.465767 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_23\">\r\n",
       "    <path clip-path=\"url(#pac47c1dbfe)\" d=\"M 179.985669 252.718125 \r\n",
       "L 179.985669 252.385978 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_24\">\r\n",
       "    <path clip-path=\"url(#pac47c1dbfe)\" d=\"M 180.059916 252.718125 \r\n",
       "L 180.059916 33.289554 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_25\">\r\n",
       "    <path clip-path=\"url(#pac47c1dbfe)\" d=\"M 180.230219 252.718125 \r\n",
       "L 180.230219 252.413812 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_26\">\r\n",
       "    <path clip-path=\"url(#pac47c1dbfe)\" d=\"M 180.452909 252.718125 \r\n",
       "L 180.452909 252.419378 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_27\">\r\n",
       "    <path clip-path=\"url(#pac47c1dbfe)\" d=\"M 180.508629 252.718125 \r\n",
       "L 180.508629 252.604935 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_28\">\r\n",
       "    <path clip-path=\"url(#pac47c1dbfe)\" d=\"M 180.624382 252.718125 \r\n",
       "L 180.624382 223.305485 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_29\">\r\n",
       "    <path clip-path=\"url(#pac47c1dbfe)\" d=\"M 181.034459 252.718125 \r\n",
       "L 181.034459 252.623491 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_30\">\r\n",
       "    <path clip-path=\"url(#pac47c1dbfe)\" d=\"M 181.187869 252.718125 \r\n",
       "L 181.187869 248.862251 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_31\">\r\n",
       "    <path clip-path=\"url(#pac47c1dbfe)\" d=\"M 181.752679 252.718125 \r\n",
       "L 181.752679 252.257944 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_32\">\r\n",
       "    <path clip-path=\"url(#pac47c1dbfe)\" d=\"M 186.817426 252.718125 \r\n",
       "L 186.817426 252.632769 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_33\">\r\n",
       "    <path clip-path=\"url(#pac47c1dbfe)\" d=\"M 192.48134 252.718125 \r\n",
       "L 192.48134 252.55669 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_34\">\r\n",
       "    <path clip-path=\"url(#pac47c1dbfe)\" d=\"M 203.715963 252.718125 \r\n",
       "L 203.715963 252.554835 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_35\">\r\n",
       "    <path clip-path=\"url(#pac47c1dbfe)\" d=\"M 262.313366 252.718125 \r\n",
       "L 262.313366 251.80704 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_36\">\r\n",
       "    <path clip-path=\"url(#pac47c1dbfe)\" d=\"M 262.879791 252.718125 \r\n",
       "L 262.879791 252.335878 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_37\">\r\n",
       "    <path clip-path=\"url(#pac47c1dbfe)\" d=\"M 271.323122 252.718125 \r\n",
       "L 271.323122 226.834779 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_38\">\r\n",
       "    <path clip-path=\"url(#pac47c1dbfe)\" d=\"M 271.887623 252.718125 \r\n",
       "L 271.887623 247.220071 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_39\">\r\n",
       "    <path clip-path=\"url(#pac47c1dbfe)\" d=\"M 272.451041 252.718125 \r\n",
       "L 272.451041 252.001875 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_40\">\r\n",
       "    <path clip-path=\"url(#pac47c1dbfe)\" d=\"M 273.017724 252.718125 \r\n",
       "L 273.017724 252.534424 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_41\">\r\n",
       "    <path clip-path=\"url(#pac47c1dbfe)\" d=\"M 353.579013 252.718125 \r\n",
       "L 353.579013 251.875696 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_42\">\r\n",
       "    <path clip-path=\"url(#pac47c1dbfe)\" d=\"M 354.145627 252.718125 \r\n",
       "L 354.145627 252.398967 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_43\">\r\n",
       "    <path clip-path=\"url(#pac47c1dbfe)\" d=\"M 354.70767 252.718125 \r\n",
       "L 354.70767 252.634624 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"patch_3\">\r\n",
       "    <path d=\"M 66.053125 252.718125 \r\n",
       "L 66.053125 22.318125 \r\n",
       "\" style=\"fill:none;stroke:#000000;stroke-linecap:square;stroke-linejoin:miter;stroke-width:0.8;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"patch_4\">\r\n",
       "    <path d=\"M 368.453125 252.718125 \r\n",
       "L 368.453125 22.318125 \r\n",
       "\" style=\"fill:none;stroke:#000000;stroke-linecap:square;stroke-linejoin:miter;stroke-width:0.8;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"patch_5\">\r\n",
       "    <path d=\"M 66.053125 252.718125 \r\n",
       "L 368.453125 252.718125 \r\n",
       "\" style=\"fill:none;stroke:#000000;stroke-linecap:square;stroke-linejoin:miter;stroke-width:0.8;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"patch_6\">\r\n",
       "    <path d=\"M 66.053125 22.318125 \r\n",
       "L 368.453125 22.318125 \r\n",
       "\" style=\"fill:none;stroke:#000000;stroke-linecap:square;stroke-linejoin:miter;stroke-width:0.8;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"text_14\">\r\n",
       "    <!-- Spectrum -->\r\n",
       "    <g transform=\"translate(188.178437 16.318125)scale(0.12 -0.12)\">\r\n",
       "     <defs>\r\n",
       "      <path d=\"M 53.515625 70.515625 \r\n",
       "L 53.515625 60.890625 \r\n",
       "Q 47.90625 63.578125 42.921875 64.890625 \r\n",
       "Q 37.9375 66.21875 33.296875 66.21875 \r\n",
       "Q 25.25 66.21875 20.875 63.09375 \r\n",
       "Q 16.5 59.96875 16.5 54.203125 \r\n",
       "Q 16.5 49.359375 19.40625 46.890625 \r\n",
       "Q 22.3125 44.4375 30.421875 42.921875 \r\n",
       "L 36.375 41.703125 \r\n",
       "Q 47.40625 39.59375 52.65625 34.296875 \r\n",
       "Q 57.90625 29 57.90625 20.125 \r\n",
       "Q 57.90625 9.515625 50.796875 4.046875 \r\n",
       "Q 43.703125 -1.421875 29.984375 -1.421875 \r\n",
       "Q 24.8125 -1.421875 18.96875 -0.25 \r\n",
       "Q 13.140625 0.921875 6.890625 3.21875 \r\n",
       "L 6.890625 13.375 \r\n",
       "Q 12.890625 10.015625 18.65625 8.296875 \r\n",
       "Q 24.421875 6.59375 29.984375 6.59375 \r\n",
       "Q 38.421875 6.59375 43.015625 9.90625 \r\n",
       "Q 47.609375 13.234375 47.609375 19.390625 \r\n",
       "Q 47.609375 24.75 44.3125 27.78125 \r\n",
       "Q 41.015625 30.8125 33.5 32.328125 \r\n",
       "L 27.484375 33.5 \r\n",
       "Q 16.453125 35.6875 11.515625 40.375 \r\n",
       "Q 6.59375 45.0625 6.59375 53.421875 \r\n",
       "Q 6.59375 63.09375 13.40625 68.65625 \r\n",
       "Q 20.21875 74.21875 32.171875 74.21875 \r\n",
       "Q 37.3125 74.21875 42.625 73.28125 \r\n",
       "Q 47.953125 72.359375 53.515625 70.515625 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-83\"/>\r\n",
       "      <path d=\"M 18.109375 8.203125 \r\n",
       "L 18.109375 -20.796875 \r\n",
       "L 9.078125 -20.796875 \r\n",
       "L 9.078125 54.6875 \r\n",
       "L 18.109375 54.6875 \r\n",
       "L 18.109375 46.390625 \r\n",
       "Q 20.953125 51.265625 25.265625 53.625 \r\n",
       "Q 29.59375 56 35.59375 56 \r\n",
       "Q 45.5625 56 51.78125 48.09375 \r\n",
       "Q 58.015625 40.1875 58.015625 27.296875 \r\n",
       "Q 58.015625 14.40625 51.78125 6.484375 \r\n",
       "Q 45.5625 -1.421875 35.59375 -1.421875 \r\n",
       "Q 29.59375 -1.421875 25.265625 0.953125 \r\n",
       "Q 20.953125 3.328125 18.109375 8.203125 \r\n",
       "z\r\n",
       "M 48.6875 27.296875 \r\n",
       "Q 48.6875 37.203125 44.609375 42.84375 \r\n",
       "Q 40.53125 48.484375 33.40625 48.484375 \r\n",
       "Q 26.265625 48.484375 22.1875 42.84375 \r\n",
       "Q 18.109375 37.203125 18.109375 27.296875 \r\n",
       "Q 18.109375 17.390625 22.1875 11.75 \r\n",
       "Q 26.265625 6.109375 33.40625 6.109375 \r\n",
       "Q 40.53125 6.109375 44.609375 11.75 \r\n",
       "Q 48.6875 17.390625 48.6875 27.296875 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-112\"/>\r\n",
       "      <path d=\"M 48.78125 52.59375 \r\n",
       "L 48.78125 44.1875 \r\n",
       "Q 44.96875 46.296875 41.140625 47.34375 \r\n",
       "Q 37.3125 48.390625 33.40625 48.390625 \r\n",
       "Q 24.65625 48.390625 19.8125 42.84375 \r\n",
       "Q 14.984375 37.3125 14.984375 27.296875 \r\n",
       "Q 14.984375 17.28125 19.8125 11.734375 \r\n",
       "Q 24.65625 6.203125 33.40625 6.203125 \r\n",
       "Q 37.3125 6.203125 41.140625 7.25 \r\n",
       "Q 44.96875 8.296875 48.78125 10.40625 \r\n",
       "L 48.78125 2.09375 \r\n",
       "Q 45.015625 0.34375 40.984375 -0.53125 \r\n",
       "Q 36.96875 -1.421875 32.421875 -1.421875 \r\n",
       "Q 20.0625 -1.421875 12.78125 6.34375 \r\n",
       "Q 5.515625 14.109375 5.515625 27.296875 \r\n",
       "Q 5.515625 40.671875 12.859375 48.328125 \r\n",
       "Q 20.21875 56 33.015625 56 \r\n",
       "Q 37.15625 56 41.109375 55.140625 \r\n",
       "Q 45.0625 54.296875 48.78125 52.59375 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-99\"/>\r\n",
       "      <path d=\"M 41.109375 46.296875 \r\n",
       "Q 39.59375 47.171875 37.8125 47.578125 \r\n",
       "Q 36.03125 48 33.890625 48 \r\n",
       "Q 26.265625 48 22.1875 43.046875 \r\n",
       "Q 18.109375 38.09375 18.109375 28.8125 \r\n",
       "L 18.109375 0 \r\n",
       "L 9.078125 0 \r\n",
       "L 9.078125 54.6875 \r\n",
       "L 18.109375 54.6875 \r\n",
       "L 18.109375 46.1875 \r\n",
       "Q 20.953125 51.171875 25.484375 53.578125 \r\n",
       "Q 30.03125 56 36.53125 56 \r\n",
       "Q 37.453125 56 38.578125 55.875 \r\n",
       "Q 39.703125 55.765625 41.0625 55.515625 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-114\"/>\r\n",
       "      <path d=\"M 8.5 21.578125 \r\n",
       "L 8.5 54.6875 \r\n",
       "L 17.484375 54.6875 \r\n",
       "L 17.484375 21.921875 \r\n",
       "Q 17.484375 14.15625 20.5 10.265625 \r\n",
       "Q 23.53125 6.390625 29.59375 6.390625 \r\n",
       "Q 36.859375 6.390625 41.078125 11.03125 \r\n",
       "Q 45.3125 15.671875 45.3125 23.6875 \r\n",
       "L 45.3125 54.6875 \r\n",
       "L 54.296875 54.6875 \r\n",
       "L 54.296875 0 \r\n",
       "L 45.3125 0 \r\n",
       "L 45.3125 8.40625 \r\n",
       "Q 42.046875 3.421875 37.71875 1 \r\n",
       "Q 33.40625 -1.421875 27.6875 -1.421875 \r\n",
       "Q 18.265625 -1.421875 13.375 4.4375 \r\n",
       "Q 8.5 10.296875 8.5 21.578125 \r\n",
       "z\r\n",
       "M 31.109375 56 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-117\"/>\r\n",
       "      <path d=\"M 52 44.1875 \r\n",
       "Q 55.375 50.25 60.0625 53.125 \r\n",
       "Q 64.75 56 71.09375 56 \r\n",
       "Q 79.640625 56 84.28125 50.015625 \r\n",
       "Q 88.921875 44.046875 88.921875 33.015625 \r\n",
       "L 88.921875 0 \r\n",
       "L 79.890625 0 \r\n",
       "L 79.890625 32.71875 \r\n",
       "Q 79.890625 40.578125 77.09375 44.375 \r\n",
       "Q 74.3125 48.1875 68.609375 48.1875 \r\n",
       "Q 61.625 48.1875 57.5625 43.546875 \r\n",
       "Q 53.515625 38.921875 53.515625 30.90625 \r\n",
       "L 53.515625 0 \r\n",
       "L 44.484375 0 \r\n",
       "L 44.484375 32.71875 \r\n",
       "Q 44.484375 40.625 41.703125 44.40625 \r\n",
       "Q 38.921875 48.1875 33.109375 48.1875 \r\n",
       "Q 26.21875 48.1875 22.15625 43.53125 \r\n",
       "Q 18.109375 38.875 18.109375 30.90625 \r\n",
       "L 18.109375 0 \r\n",
       "L 9.078125 0 \r\n",
       "L 9.078125 54.6875 \r\n",
       "L 18.109375 54.6875 \r\n",
       "L 18.109375 46.1875 \r\n",
       "Q 21.1875 51.21875 25.484375 53.609375 \r\n",
       "Q 29.78125 56 35.6875 56 \r\n",
       "Q 41.65625 56 45.828125 52.96875 \r\n",
       "Q 50 49.953125 52 44.1875 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-109\"/>\r\n",
       "     </defs>\r\n",
       "     <use xlink:href=\"#DejaVuSans-83\"/>\r\n",
       "     <use x=\"63.476562\" xlink:href=\"#DejaVuSans-112\"/>\r\n",
       "     <use x=\"126.953125\" xlink:href=\"#DejaVuSans-101\"/>\r\n",
       "     <use x=\"188.476562\" xlink:href=\"#DejaVuSans-99\"/>\r\n",
       "     <use x=\"243.457031\" xlink:href=\"#DejaVuSans-116\"/>\r\n",
       "     <use x=\"282.666016\" xlink:href=\"#DejaVuSans-114\"/>\r\n",
       "     <use x=\"323.779297\" xlink:href=\"#DejaVuSans-117\"/>\r\n",
       "     <use x=\"387.158203\" xlink:href=\"#DejaVuSans-109\"/>\r\n",
       "    </g>\r\n",
       "   </g>\r\n",
       "  </g>\r\n",
       " </g>\r\n",
       " <defs>\r\n",
       "  <clipPath id=\"pac47c1dbfe\">\r\n",
       "   <rect height=\"230.4\" width=\"302.4\" x=\"66.053125\" y=\"22.318125\"/>\r\n",
       "  </clipPath>\r\n",
       " </defs>\r\n",
       "</svg>\r\n"
      ],
      "text/plain": [
       "<Figure size 432x288 with 1 Axes>"
      ]
     },
     "execution_count": 22,
     "metadata": {},
     "output_type": "execute_result"
    },
    {
     "data": {
      "image/svg+xml": [
       "<?xml version=\"1.0\" encoding=\"utf-8\" standalone=\"no\"?>\r\n",
       "<!DOCTYPE svg PUBLIC \"-//W3C//DTD SVG 1.1//EN\"\r\n",
       "  \"http://www.w3.org/Graphics/SVG/1.1/DTD/svg11.dtd\">\r\n",
       "<!-- Created with matplotlib (https://matplotlib.org/) -->\r\n",
       "<svg height=\"290.274375pt\" version=\"1.1\" viewBox=\"0 0 375.653125 290.274375\" width=\"375.653125pt\" xmlns=\"http://www.w3.org/2000/svg\" xmlns:xlink=\"http://www.w3.org/1999/xlink\">\r\n",
       " <metadata>\r\n",
       "  <rdf:RDF xmlns:cc=\"http://creativecommons.org/ns#\" xmlns:dc=\"http://purl.org/dc/elements/1.1/\" xmlns:rdf=\"http://www.w3.org/1999/02/22-rdf-syntax-ns#\">\r\n",
       "   <cc:Work>\r\n",
       "    <dc:type rdf:resource=\"http://purl.org/dc/dcmitype/StillImage\"/>\r\n",
       "    <dc:date>2020-12-11T10:00:45.965856</dc:date>\r\n",
       "    <dc:format>image/svg+xml</dc:format>\r\n",
       "    <dc:creator>\r\n",
       "     <cc:Agent>\r\n",
       "      <dc:title>Matplotlib v3.3.2, https://matplotlib.org/</dc:title>\r\n",
       "     </cc:Agent>\r\n",
       "    </dc:creator>\r\n",
       "   </cc:Work>\r\n",
       "  </rdf:RDF>\r\n",
       " </metadata>\r\n",
       " <defs>\r\n",
       "  <style type=\"text/css\">*{stroke-linecap:butt;stroke-linejoin:round;}</style>\r\n",
       " </defs>\r\n",
       " <g id=\"figure_1\">\r\n",
       "  <g id=\"patch_1\">\r\n",
       "   <path d=\"M 0 290.274375 \r\n",
       "L 375.653125 290.274375 \r\n",
       "L 375.653125 0 \r\n",
       "L 0 0 \r\n",
       "z\r\n",
       "\" style=\"fill:none;\"/>\r\n",
       "  </g>\r\n",
       "  <g id=\"axes_1\">\r\n",
       "   <g id=\"patch_2\">\r\n",
       "    <path d=\"M 66.053125 252.718125 \r\n",
       "L 368.453125 252.718125 \r\n",
       "L 368.453125 22.318125 \r\n",
       "L 66.053125 22.318125 \r\n",
       "z\r\n",
       "\" style=\"fill:#ffffff;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"matplotlib.axis_1\">\r\n",
       "    <g id=\"xtick_1\">\r\n",
       "     <g id=\"line2d_1\">\r\n",
       "      <defs>\r\n",
       "       <path d=\"M 0 0 \r\n",
       "L 0 3.5 \r\n",
       "\" id=\"mbd2a5cad4c\" style=\"stroke:#000000;stroke-width:0.8;\"/>\r\n",
       "      </defs>\r\n",
       "      <g>\r\n",
       "       <use style=\"stroke:#000000;stroke-width:0.8;\" x=\"74.713337\" xlink:href=\"#mbd2a5cad4c\" y=\"252.718125\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "     <g id=\"text_1\">\r\n",
       "      <!-- 100 -->\r\n",
       "      <g transform=\"translate(65.169587 267.316563)scale(0.1 -0.1)\">\r\n",
       "       <defs>\r\n",
       "        <path d=\"M 12.40625 8.296875 \r\n",
       "L 28.515625 8.296875 \r\n",
       "L 28.515625 63.921875 \r\n",
       "L 10.984375 60.40625 \r\n",
       "L 10.984375 69.390625 \r\n",
       "L 28.421875 72.90625 \r\n",
       "L 38.28125 72.90625 \r\n",
       "L 38.28125 8.296875 \r\n",
       "L 54.390625 8.296875 \r\n",
       "L 54.390625 0 \r\n",
       "L 12.40625 0 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-49\"/>\r\n",
       "        <path d=\"M 31.78125 66.40625 \r\n",
       "Q 24.171875 66.40625 20.328125 58.90625 \r\n",
       "Q 16.5 51.421875 16.5 36.375 \r\n",
       "Q 16.5 21.390625 20.328125 13.890625 \r\n",
       "Q 24.171875 6.390625 31.78125 6.390625 \r\n",
       "Q 39.453125 6.390625 43.28125 13.890625 \r\n",
       "Q 47.125 21.390625 47.125 36.375 \r\n",
       "Q 47.125 51.421875 43.28125 58.90625 \r\n",
       "Q 39.453125 66.40625 31.78125 66.40625 \r\n",
       "z\r\n",
       "M 31.78125 74.21875 \r\n",
       "Q 44.046875 74.21875 50.515625 64.515625 \r\n",
       "Q 56.984375 54.828125 56.984375 36.375 \r\n",
       "Q 56.984375 17.96875 50.515625 8.265625 \r\n",
       "Q 44.046875 -1.421875 31.78125 -1.421875 \r\n",
       "Q 19.53125 -1.421875 13.0625 8.265625 \r\n",
       "Q 6.59375 17.96875 6.59375 36.375 \r\n",
       "Q 6.59375 54.828125 13.0625 64.515625 \r\n",
       "Q 19.53125 74.21875 31.78125 74.21875 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-48\"/>\r\n",
       "       </defs>\r\n",
       "       <use xlink:href=\"#DejaVuSans-49\"/>\r\n",
       "       <use x=\"63.623047\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"127.246094\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "    </g>\r\n",
       "    <g id=\"xtick_2\">\r\n",
       "     <g id=\"line2d_2\">\r\n",
       "      <g>\r\n",
       "       <use style=\"stroke:#000000;stroke-width:0.8;\" x=\"131.031081\" xlink:href=\"#mbd2a5cad4c\" y=\"252.718125\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "     <g id=\"text_2\">\r\n",
       "      <!-- 200 -->\r\n",
       "      <g transform=\"translate(121.487331 267.316563)scale(0.1 -0.1)\">\r\n",
       "       <defs>\r\n",
       "        <path d=\"M 19.1875 8.296875 \r\n",
       "L 53.609375 8.296875 \r\n",
       "L 53.609375 0 \r\n",
       "L 7.328125 0 \r\n",
       "L 7.328125 8.296875 \r\n",
       "Q 12.9375 14.109375 22.625 23.890625 \r\n",
       "Q 32.328125 33.6875 34.8125 36.53125 \r\n",
       "Q 39.546875 41.84375 41.421875 45.53125 \r\n",
       "Q 43.3125 49.21875 43.3125 52.78125 \r\n",
       "Q 43.3125 58.59375 39.234375 62.25 \r\n",
       "Q 35.15625 65.921875 28.609375 65.921875 \r\n",
       "Q 23.96875 65.921875 18.8125 64.3125 \r\n",
       "Q 13.671875 62.703125 7.8125 59.421875 \r\n",
       "L 7.8125 69.390625 \r\n",
       "Q 13.765625 71.78125 18.9375 73 \r\n",
       "Q 24.125 74.21875 28.421875 74.21875 \r\n",
       "Q 39.75 74.21875 46.484375 68.546875 \r\n",
       "Q 53.21875 62.890625 53.21875 53.421875 \r\n",
       "Q 53.21875 48.921875 51.53125 44.890625 \r\n",
       "Q 49.859375 40.875 45.40625 35.40625 \r\n",
       "Q 44.1875 33.984375 37.640625 27.21875 \r\n",
       "Q 31.109375 20.453125 19.1875 8.296875 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-50\"/>\r\n",
       "       </defs>\r\n",
       "       <use xlink:href=\"#DejaVuSans-50\"/>\r\n",
       "       <use x=\"63.623047\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"127.246094\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "    </g>\r\n",
       "    <g id=\"xtick_3\">\r\n",
       "     <g id=\"line2d_3\">\r\n",
       "      <g>\r\n",
       "       <use style=\"stroke:#000000;stroke-width:0.8;\" x=\"187.348825\" xlink:href=\"#mbd2a5cad4c\" y=\"252.718125\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "     <g id=\"text_3\">\r\n",
       "      <!-- 300 -->\r\n",
       "      <g transform=\"translate(177.805075 267.316563)scale(0.1 -0.1)\">\r\n",
       "       <defs>\r\n",
       "        <path d=\"M 40.578125 39.3125 \r\n",
       "Q 47.65625 37.796875 51.625 33 \r\n",
       "Q 55.609375 28.21875 55.609375 21.1875 \r\n",
       "Q 55.609375 10.40625 48.1875 4.484375 \r\n",
       "Q 40.765625 -1.421875 27.09375 -1.421875 \r\n",
       "Q 22.515625 -1.421875 17.65625 -0.515625 \r\n",
       "Q 12.796875 0.390625 7.625 2.203125 \r\n",
       "L 7.625 11.71875 \r\n",
       "Q 11.71875 9.328125 16.59375 8.109375 \r\n",
       "Q 21.484375 6.890625 26.8125 6.890625 \r\n",
       "Q 36.078125 6.890625 40.9375 10.546875 \r\n",
       "Q 45.796875 14.203125 45.796875 21.1875 \r\n",
       "Q 45.796875 27.640625 41.28125 31.265625 \r\n",
       "Q 36.765625 34.90625 28.71875 34.90625 \r\n",
       "L 20.21875 34.90625 \r\n",
       "L 20.21875 43.015625 \r\n",
       "L 29.109375 43.015625 \r\n",
       "Q 36.375 43.015625 40.234375 45.921875 \r\n",
       "Q 44.09375 48.828125 44.09375 54.296875 \r\n",
       "Q 44.09375 59.90625 40.109375 62.90625 \r\n",
       "Q 36.140625 65.921875 28.71875 65.921875 \r\n",
       "Q 24.65625 65.921875 20.015625 65.03125 \r\n",
       "Q 15.375 64.15625 9.8125 62.3125 \r\n",
       "L 9.8125 71.09375 \r\n",
       "Q 15.4375 72.65625 20.34375 73.4375 \r\n",
       "Q 25.25 74.21875 29.59375 74.21875 \r\n",
       "Q 40.828125 74.21875 47.359375 69.109375 \r\n",
       "Q 53.90625 64.015625 53.90625 55.328125 \r\n",
       "Q 53.90625 49.265625 50.4375 45.09375 \r\n",
       "Q 46.96875 40.921875 40.578125 39.3125 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-51\"/>\r\n",
       "       </defs>\r\n",
       "       <use xlink:href=\"#DejaVuSans-51\"/>\r\n",
       "       <use x=\"63.623047\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"127.246094\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "    </g>\r\n",
       "    <g id=\"xtick_4\">\r\n",
       "     <g id=\"line2d_4\">\r\n",
       "      <g>\r\n",
       "       <use style=\"stroke:#000000;stroke-width:0.8;\" x=\"243.666569\" xlink:href=\"#mbd2a5cad4c\" y=\"252.718125\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "     <g id=\"text_4\">\r\n",
       "      <!-- 400 -->\r\n",
       "      <g transform=\"translate(234.122819 267.316563)scale(0.1 -0.1)\">\r\n",
       "       <defs>\r\n",
       "        <path d=\"M 37.796875 64.3125 \r\n",
       "L 12.890625 25.390625 \r\n",
       "L 37.796875 25.390625 \r\n",
       "z\r\n",
       "M 35.203125 72.90625 \r\n",
       "L 47.609375 72.90625 \r\n",
       "L 47.609375 25.390625 \r\n",
       "L 58.015625 25.390625 \r\n",
       "L 58.015625 17.1875 \r\n",
       "L 47.609375 17.1875 \r\n",
       "L 47.609375 0 \r\n",
       "L 37.796875 0 \r\n",
       "L 37.796875 17.1875 \r\n",
       "L 4.890625 17.1875 \r\n",
       "L 4.890625 26.703125 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-52\"/>\r\n",
       "       </defs>\r\n",
       "       <use xlink:href=\"#DejaVuSans-52\"/>\r\n",
       "       <use x=\"63.623047\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"127.246094\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "    </g>\r\n",
       "    <g id=\"xtick_5\">\r\n",
       "     <g id=\"line2d_5\">\r\n",
       "      <g>\r\n",
       "       <use style=\"stroke:#000000;stroke-width:0.8;\" x=\"299.984313\" xlink:href=\"#mbd2a5cad4c\" y=\"252.718125\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "     <g id=\"text_5\">\r\n",
       "      <!-- 500 -->\r\n",
       "      <g transform=\"translate(290.440563 267.316563)scale(0.1 -0.1)\">\r\n",
       "       <defs>\r\n",
       "        <path d=\"M 10.796875 72.90625 \r\n",
       "L 49.515625 72.90625 \r\n",
       "L 49.515625 64.59375 \r\n",
       "L 19.828125 64.59375 \r\n",
       "L 19.828125 46.734375 \r\n",
       "Q 21.96875 47.46875 24.109375 47.828125 \r\n",
       "Q 26.265625 48.1875 28.421875 48.1875 \r\n",
       "Q 40.625 48.1875 47.75 41.5 \r\n",
       "Q 54.890625 34.8125 54.890625 23.390625 \r\n",
       "Q 54.890625 11.625 47.5625 5.09375 \r\n",
       "Q 40.234375 -1.421875 26.90625 -1.421875 \r\n",
       "Q 22.3125 -1.421875 17.546875 -0.640625 \r\n",
       "Q 12.796875 0.140625 7.71875 1.703125 \r\n",
       "L 7.71875 11.625 \r\n",
       "Q 12.109375 9.234375 16.796875 8.0625 \r\n",
       "Q 21.484375 6.890625 26.703125 6.890625 \r\n",
       "Q 35.15625 6.890625 40.078125 11.328125 \r\n",
       "Q 45.015625 15.765625 45.015625 23.390625 \r\n",
       "Q 45.015625 31 40.078125 35.4375 \r\n",
       "Q 35.15625 39.890625 26.703125 39.890625 \r\n",
       "Q 22.75 39.890625 18.8125 39.015625 \r\n",
       "Q 14.890625 38.140625 10.796875 36.28125 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-53\"/>\r\n",
       "       </defs>\r\n",
       "       <use xlink:href=\"#DejaVuSans-53\"/>\r\n",
       "       <use x=\"63.623047\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"127.246094\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "    </g>\r\n",
       "    <g id=\"xtick_6\">\r\n",
       "     <g id=\"line2d_6\">\r\n",
       "      <g>\r\n",
       "       <use style=\"stroke:#000000;stroke-width:0.8;\" x=\"356.302057\" xlink:href=\"#mbd2a5cad4c\" y=\"252.718125\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "     <g id=\"text_6\">\r\n",
       "      <!-- 600 -->\r\n",
       "      <g transform=\"translate(346.758307 267.316563)scale(0.1 -0.1)\">\r\n",
       "       <defs>\r\n",
       "        <path d=\"M 33.015625 40.375 \r\n",
       "Q 26.375 40.375 22.484375 35.828125 \r\n",
       "Q 18.609375 31.296875 18.609375 23.390625 \r\n",
       "Q 18.609375 15.53125 22.484375 10.953125 \r\n",
       "Q 26.375 6.390625 33.015625 6.390625 \r\n",
       "Q 39.65625 6.390625 43.53125 10.953125 \r\n",
       "Q 47.40625 15.53125 47.40625 23.390625 \r\n",
       "Q 47.40625 31.296875 43.53125 35.828125 \r\n",
       "Q 39.65625 40.375 33.015625 40.375 \r\n",
       "z\r\n",
       "M 52.59375 71.296875 \r\n",
       "L 52.59375 62.3125 \r\n",
       "Q 48.875 64.0625 45.09375 64.984375 \r\n",
       "Q 41.3125 65.921875 37.59375 65.921875 \r\n",
       "Q 27.828125 65.921875 22.671875 59.328125 \r\n",
       "Q 17.53125 52.734375 16.796875 39.40625 \r\n",
       "Q 19.671875 43.65625 24.015625 45.921875 \r\n",
       "Q 28.375 48.1875 33.59375 48.1875 \r\n",
       "Q 44.578125 48.1875 50.953125 41.515625 \r\n",
       "Q 57.328125 34.859375 57.328125 23.390625 \r\n",
       "Q 57.328125 12.15625 50.6875 5.359375 \r\n",
       "Q 44.046875 -1.421875 33.015625 -1.421875 \r\n",
       "Q 20.359375 -1.421875 13.671875 8.265625 \r\n",
       "Q 6.984375 17.96875 6.984375 36.375 \r\n",
       "Q 6.984375 53.65625 15.1875 63.9375 \r\n",
       "Q 23.390625 74.21875 37.203125 74.21875 \r\n",
       "Q 40.921875 74.21875 44.703125 73.484375 \r\n",
       "Q 48.484375 72.75 52.59375 71.296875 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-54\"/>\r\n",
       "       </defs>\r\n",
       "       <use xlink:href=\"#DejaVuSans-54\"/>\r\n",
       "       <use x=\"63.623047\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"127.246094\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "    </g>\r\n",
       "    <g id=\"text_7\">\r\n",
       "     <!-- M/z -->\r\n",
       "     <g transform=\"translate(208.630469 280.994687)scale(0.1 -0.1)\">\r\n",
       "      <defs>\r\n",
       "       <path d=\"M 9.8125 72.90625 \r\n",
       "L 24.515625 72.90625 \r\n",
       "L 43.109375 23.296875 \r\n",
       "L 61.8125 72.90625 \r\n",
       "L 76.515625 72.90625 \r\n",
       "L 76.515625 0 \r\n",
       "L 66.890625 0 \r\n",
       "L 66.890625 64.015625 \r\n",
       "L 48.09375 14.015625 \r\n",
       "L 38.1875 14.015625 \r\n",
       "L 19.390625 64.015625 \r\n",
       "L 19.390625 0 \r\n",
       "L 9.8125 0 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-77\"/>\r\n",
       "       <path d=\"M 25.390625 72.90625 \r\n",
       "L 33.6875 72.90625 \r\n",
       "L 8.296875 -9.28125 \r\n",
       "L 0 -9.28125 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-47\"/>\r\n",
       "       <path d=\"M 5.515625 54.6875 \r\n",
       "L 48.1875 54.6875 \r\n",
       "L 48.1875 46.484375 \r\n",
       "L 14.40625 7.171875 \r\n",
       "L 48.1875 7.171875 \r\n",
       "L 48.1875 0 \r\n",
       "L 4.296875 0 \r\n",
       "L 4.296875 8.203125 \r\n",
       "L 38.09375 47.515625 \r\n",
       "L 5.515625 47.515625 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-122\"/>\r\n",
       "      </defs>\r\n",
       "      <use xlink:href=\"#DejaVuSans-77\"/>\r\n",
       "      <use x=\"86.279297\" xlink:href=\"#DejaVuSans-47\"/>\r\n",
       "      <use x=\"119.970703\" xlink:href=\"#DejaVuSans-122\"/>\r\n",
       "     </g>\r\n",
       "    </g>\r\n",
       "   </g>\r\n",
       "   <g id=\"matplotlib.axis_2\">\r\n",
       "    <g id=\"ytick_1\">\r\n",
       "     <g id=\"line2d_7\">\r\n",
       "      <defs>\r\n",
       "       <path d=\"M 0 0 \r\n",
       "L -3.5 0 \r\n",
       "\" id=\"m68ce64935b\" style=\"stroke:#000000;stroke-width:0.8;\"/>\r\n",
       "      </defs>\r\n",
       "      <g>\r\n",
       "       <use style=\"stroke:#000000;stroke-width:0.8;\" x=\"66.053125\" xlink:href=\"#m68ce64935b\" y=\"252.718125\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "     <g id=\"text_8\">\r\n",
       "      <!-- 0 -->\r\n",
       "      <g transform=\"translate(52.690625 256.517344)scale(0.1 -0.1)\">\r\n",
       "       <use xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "    </g>\r\n",
       "    <g id=\"ytick_2\">\r\n",
       "     <g id=\"line2d_8\">\r\n",
       "      <g>\r\n",
       "       <use style=\"stroke:#000000;stroke-width:0.8;\" x=\"66.053125\" xlink:href=\"#m68ce64935b\" y=\"206.328876\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "     <g id=\"text_9\">\r\n",
       "      <!-- 100000 -->\r\n",
       "      <g transform=\"translate(20.878125 210.128094)scale(0.1 -0.1)\">\r\n",
       "       <use xlink:href=\"#DejaVuSans-49\"/>\r\n",
       "       <use x=\"63.623047\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"127.246094\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"190.869141\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"254.492188\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"318.115234\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "    </g>\r\n",
       "    <g id=\"ytick_3\">\r\n",
       "     <g id=\"line2d_9\">\r\n",
       "      <g>\r\n",
       "       <use style=\"stroke:#000000;stroke-width:0.8;\" x=\"66.053125\" xlink:href=\"#m68ce64935b\" y=\"159.939626\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "     <g id=\"text_10\">\r\n",
       "      <!-- 200000 -->\r\n",
       "      <g transform=\"translate(20.878125 163.738845)scale(0.1 -0.1)\">\r\n",
       "       <use xlink:href=\"#DejaVuSans-50\"/>\r\n",
       "       <use x=\"63.623047\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"127.246094\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"190.869141\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"254.492188\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"318.115234\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "    </g>\r\n",
       "    <g id=\"ytick_4\">\r\n",
       "     <g id=\"line2d_10\">\r\n",
       "      <g>\r\n",
       "       <use style=\"stroke:#000000;stroke-width:0.8;\" x=\"66.053125\" xlink:href=\"#m68ce64935b\" y=\"113.550377\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "     <g id=\"text_11\">\r\n",
       "      <!-- 300000 -->\r\n",
       "      <g transform=\"translate(20.878125 117.349596)scale(0.1 -0.1)\">\r\n",
       "       <use xlink:href=\"#DejaVuSans-51\"/>\r\n",
       "       <use x=\"63.623047\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"127.246094\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"190.869141\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"254.492188\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"318.115234\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "    </g>\r\n",
       "    <g id=\"ytick_5\">\r\n",
       "     <g id=\"line2d_11\">\r\n",
       "      <g>\r\n",
       "       <use style=\"stroke:#000000;stroke-width:0.8;\" x=\"66.053125\" xlink:href=\"#m68ce64935b\" y=\"67.161128\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "     <g id=\"text_12\">\r\n",
       "      <!-- 400000 -->\r\n",
       "      <g transform=\"translate(20.878125 70.960347)scale(0.1 -0.1)\">\r\n",
       "       <use xlink:href=\"#DejaVuSans-52\"/>\r\n",
       "       <use x=\"63.623047\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"127.246094\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"190.869141\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"254.492188\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "       <use x=\"318.115234\" xlink:href=\"#DejaVuSans-48\"/>\r\n",
       "      </g>\r\n",
       "     </g>\r\n",
       "    </g>\r\n",
       "    <g id=\"text_13\">\r\n",
       "     <!-- intensity -->\r\n",
       "     <g transform=\"translate(14.798438 159.194687)rotate(-90)scale(0.1 -0.1)\">\r\n",
       "      <defs>\r\n",
       "       <path d=\"M 9.421875 54.6875 \r\n",
       "L 18.40625 54.6875 \r\n",
       "L 18.40625 0 \r\n",
       "L 9.421875 0 \r\n",
       "z\r\n",
       "M 9.421875 75.984375 \r\n",
       "L 18.40625 75.984375 \r\n",
       "L 18.40625 64.59375 \r\n",
       "L 9.421875 64.59375 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-105\"/>\r\n",
       "       <path d=\"M 54.890625 33.015625 \r\n",
       "L 54.890625 0 \r\n",
       "L 45.90625 0 \r\n",
       "L 45.90625 32.71875 \r\n",
       "Q 45.90625 40.484375 42.875 44.328125 \r\n",
       "Q 39.84375 48.1875 33.796875 48.1875 \r\n",
       "Q 26.515625 48.1875 22.3125 43.546875 \r\n",
       "Q 18.109375 38.921875 18.109375 30.90625 \r\n",
       "L 18.109375 0 \r\n",
       "L 9.078125 0 \r\n",
       "L 9.078125 54.6875 \r\n",
       "L 18.109375 54.6875 \r\n",
       "L 18.109375 46.1875 \r\n",
       "Q 21.34375 51.125 25.703125 53.5625 \r\n",
       "Q 30.078125 56 35.796875 56 \r\n",
       "Q 45.21875 56 50.046875 50.171875 \r\n",
       "Q 54.890625 44.34375 54.890625 33.015625 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-110\"/>\r\n",
       "       <path d=\"M 18.3125 70.21875 \r\n",
       "L 18.3125 54.6875 \r\n",
       "L 36.8125 54.6875 \r\n",
       "L 36.8125 47.703125 \r\n",
       "L 18.3125 47.703125 \r\n",
       "L 18.3125 18.015625 \r\n",
       "Q 18.3125 11.328125 20.140625 9.421875 \r\n",
       "Q 21.96875 7.515625 27.59375 7.515625 \r\n",
       "L 36.8125 7.515625 \r\n",
       "L 36.8125 0 \r\n",
       "L 27.59375 0 \r\n",
       "Q 17.1875 0 13.234375 3.875 \r\n",
       "Q 9.28125 7.765625 9.28125 18.015625 \r\n",
       "L 9.28125 47.703125 \r\n",
       "L 2.6875 47.703125 \r\n",
       "L 2.6875 54.6875 \r\n",
       "L 9.28125 54.6875 \r\n",
       "L 9.28125 70.21875 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-116\"/>\r\n",
       "       <path d=\"M 56.203125 29.59375 \r\n",
       "L 56.203125 25.203125 \r\n",
       "L 14.890625 25.203125 \r\n",
       "Q 15.484375 15.921875 20.484375 11.0625 \r\n",
       "Q 25.484375 6.203125 34.421875 6.203125 \r\n",
       "Q 39.59375 6.203125 44.453125 7.46875 \r\n",
       "Q 49.3125 8.734375 54.109375 11.28125 \r\n",
       "L 54.109375 2.78125 \r\n",
       "Q 49.265625 0.734375 44.1875 -0.34375 \r\n",
       "Q 39.109375 -1.421875 33.890625 -1.421875 \r\n",
       "Q 20.796875 -1.421875 13.15625 6.1875 \r\n",
       "Q 5.515625 13.8125 5.515625 26.8125 \r\n",
       "Q 5.515625 40.234375 12.765625 48.109375 \r\n",
       "Q 20.015625 56 32.328125 56 \r\n",
       "Q 43.359375 56 49.78125 48.890625 \r\n",
       "Q 56.203125 41.796875 56.203125 29.59375 \r\n",
       "z\r\n",
       "M 47.21875 32.234375 \r\n",
       "Q 47.125 39.59375 43.09375 43.984375 \r\n",
       "Q 39.0625 48.390625 32.421875 48.390625 \r\n",
       "Q 24.90625 48.390625 20.390625 44.140625 \r\n",
       "Q 15.875 39.890625 15.1875 32.171875 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-101\"/>\r\n",
       "       <path d=\"M 44.28125 53.078125 \r\n",
       "L 44.28125 44.578125 \r\n",
       "Q 40.484375 46.53125 36.375 47.5 \r\n",
       "Q 32.28125 48.484375 27.875 48.484375 \r\n",
       "Q 21.1875 48.484375 17.84375 46.4375 \r\n",
       "Q 14.5 44.390625 14.5 40.28125 \r\n",
       "Q 14.5 37.15625 16.890625 35.375 \r\n",
       "Q 19.28125 33.59375 26.515625 31.984375 \r\n",
       "L 29.59375 31.296875 \r\n",
       "Q 39.15625 29.25 43.1875 25.515625 \r\n",
       "Q 47.21875 21.78125 47.21875 15.09375 \r\n",
       "Q 47.21875 7.46875 41.1875 3.015625 \r\n",
       "Q 35.15625 -1.421875 24.609375 -1.421875 \r\n",
       "Q 20.21875 -1.421875 15.453125 -0.5625 \r\n",
       "Q 10.6875 0.296875 5.421875 2 \r\n",
       "L 5.421875 11.28125 \r\n",
       "Q 10.40625 8.6875 15.234375 7.390625 \r\n",
       "Q 20.0625 6.109375 24.8125 6.109375 \r\n",
       "Q 31.15625 6.109375 34.5625 8.28125 \r\n",
       "Q 37.984375 10.453125 37.984375 14.40625 \r\n",
       "Q 37.984375 18.0625 35.515625 20.015625 \r\n",
       "Q 33.0625 21.96875 24.703125 23.78125 \r\n",
       "L 21.578125 24.515625 \r\n",
       "Q 13.234375 26.265625 9.515625 29.90625 \r\n",
       "Q 5.8125 33.546875 5.8125 39.890625 \r\n",
       "Q 5.8125 47.609375 11.28125 51.796875 \r\n",
       "Q 16.75 56 26.8125 56 \r\n",
       "Q 31.78125 56 36.171875 55.265625 \r\n",
       "Q 40.578125 54.546875 44.28125 53.078125 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-115\"/>\r\n",
       "       <path d=\"M 32.171875 -5.078125 \r\n",
       "Q 28.375 -14.84375 24.75 -17.8125 \r\n",
       "Q 21.140625 -20.796875 15.09375 -20.796875 \r\n",
       "L 7.90625 -20.796875 \r\n",
       "L 7.90625 -13.28125 \r\n",
       "L 13.1875 -13.28125 \r\n",
       "Q 16.890625 -13.28125 18.9375 -11.515625 \r\n",
       "Q 21 -9.765625 23.484375 -3.21875 \r\n",
       "L 25.09375 0.875 \r\n",
       "L 2.984375 54.6875 \r\n",
       "L 12.5 54.6875 \r\n",
       "L 29.59375 11.921875 \r\n",
       "L 46.6875 54.6875 \r\n",
       "L 56.203125 54.6875 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-121\"/>\r\n",
       "      </defs>\r\n",
       "      <use xlink:href=\"#DejaVuSans-105\"/>\r\n",
       "      <use x=\"27.783203\" xlink:href=\"#DejaVuSans-110\"/>\r\n",
       "      <use x=\"91.162109\" xlink:href=\"#DejaVuSans-116\"/>\r\n",
       "      <use x=\"130.371094\" xlink:href=\"#DejaVuSans-101\"/>\r\n",
       "      <use x=\"191.894531\" xlink:href=\"#DejaVuSans-110\"/>\r\n",
       "      <use x=\"255.273438\" xlink:href=\"#DejaVuSans-115\"/>\r\n",
       "      <use x=\"307.373047\" xlink:href=\"#DejaVuSans-105\"/>\r\n",
       "      <use x=\"335.15625\" xlink:href=\"#DejaVuSans-116\"/>\r\n",
       "      <use x=\"374.365234\" xlink:href=\"#DejaVuSans-121\"/>\r\n",
       "     </g>\r\n",
       "    </g>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_12\">\r\n",
       "    <path clip-path=\"url(#p52d7497988)\" d=\"M 79.79858 252.718125 \r\n",
       "L 79.79858 252.608646 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_13\">\r\n",
       "    <path clip-path=\"url(#p52d7497988)\" d=\"M 89.938842 252.718125 \r\n",
       "L 89.938842 252.430512 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_14\">\r\n",
       "    <path clip-path=\"url(#p52d7497988)\" d=\"M 91.074701 252.718125 \r\n",
       "L 91.074701 252.434223 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_15\">\r\n",
       "    <path clip-path=\"url(#p52d7497988)\" d=\"M 100.083984 252.718125 \r\n",
       "L 100.083984 252.50659 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_16\">\r\n",
       "    <path clip-path=\"url(#p52d7497988)\" d=\"M 101.216707 252.718125 \r\n",
       "L 101.216707 252.60308 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_17\">\r\n",
       "    <path clip-path=\"url(#p52d7497988)\" d=\"M 111.333491 252.718125 \r\n",
       "L 111.333491 252.573391 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_18\">\r\n",
       "    <path clip-path=\"url(#p52d7497988)\" d=\"M 121.472937 252.718125 \r\n",
       "L 121.472937 252.63648 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_19\">\r\n",
       "    <path clip-path=\"url(#p52d7497988)\" d=\"M 162.057805 252.718125 \r\n",
       "L 162.057805 252.569679 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_20\">\r\n",
       "    <path clip-path=\"url(#p52d7497988)\" d=\"M 172.197723 252.718125 \r\n",
       "L 172.197723 252.571535 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_21\">\r\n",
       "    <path clip-path=\"url(#p52d7497988)\" d=\"M 179.263444 252.718125 \r\n",
       "L 179.263444 252.573391 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_22\">\r\n",
       "    <path clip-path=\"url(#p52d7497988)\" d=\"M 179.927405 252.718125 \r\n",
       "L 179.927405 252.465767 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_23\">\r\n",
       "    <path clip-path=\"url(#p52d7497988)\" d=\"M 179.985669 252.718125 \r\n",
       "L 179.985669 252.385978 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_24\">\r\n",
       "    <path clip-path=\"url(#p52d7497988)\" d=\"M 180.059916 252.718125 \r\n",
       "L 180.059916 33.289554 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_25\">\r\n",
       "    <path clip-path=\"url(#p52d7497988)\" d=\"M 180.230219 252.718125 \r\n",
       "L 180.230219 252.413812 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_26\">\r\n",
       "    <path clip-path=\"url(#p52d7497988)\" d=\"M 180.452909 252.718125 \r\n",
       "L 180.452909 252.419378 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_27\">\r\n",
       "    <path clip-path=\"url(#p52d7497988)\" d=\"M 180.508629 252.718125 \r\n",
       "L 180.508629 252.604935 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_28\">\r\n",
       "    <path clip-path=\"url(#p52d7497988)\" d=\"M 180.624382 252.718125 \r\n",
       "L 180.624382 223.305485 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_29\">\r\n",
       "    <path clip-path=\"url(#p52d7497988)\" d=\"M 181.034459 252.718125 \r\n",
       "L 181.034459 252.623491 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_30\">\r\n",
       "    <path clip-path=\"url(#p52d7497988)\" d=\"M 181.187869 252.718125 \r\n",
       "L 181.187869 248.862251 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_31\">\r\n",
       "    <path clip-path=\"url(#p52d7497988)\" d=\"M 181.752679 252.718125 \r\n",
       "L 181.752679 252.257944 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_32\">\r\n",
       "    <path clip-path=\"url(#p52d7497988)\" d=\"M 186.817426 252.718125 \r\n",
       "L 186.817426 252.632769 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_33\">\r\n",
       "    <path clip-path=\"url(#p52d7497988)\" d=\"M 192.48134 252.718125 \r\n",
       "L 192.48134 252.55669 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_34\">\r\n",
       "    <path clip-path=\"url(#p52d7497988)\" d=\"M 203.715963 252.718125 \r\n",
       "L 203.715963 252.554835 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_35\">\r\n",
       "    <path clip-path=\"url(#p52d7497988)\" d=\"M 262.313366 252.718125 \r\n",
       "L 262.313366 251.80704 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_36\">\r\n",
       "    <path clip-path=\"url(#p52d7497988)\" d=\"M 262.879791 252.718125 \r\n",
       "L 262.879791 252.335878 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_37\">\r\n",
       "    <path clip-path=\"url(#p52d7497988)\" d=\"M 271.323122 252.718125 \r\n",
       "L 271.323122 226.834779 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_38\">\r\n",
       "    <path clip-path=\"url(#p52d7497988)\" d=\"M 271.887623 252.718125 \r\n",
       "L 271.887623 247.220071 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_39\">\r\n",
       "    <path clip-path=\"url(#p52d7497988)\" d=\"M 272.451041 252.718125 \r\n",
       "L 272.451041 252.001875 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_40\">\r\n",
       "    <path clip-path=\"url(#p52d7497988)\" d=\"M 273.017724 252.718125 \r\n",
       "L 273.017724 252.534424 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_41\">\r\n",
       "    <path clip-path=\"url(#p52d7497988)\" d=\"M 353.579013 252.718125 \r\n",
       "L 353.579013 251.875696 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_42\">\r\n",
       "    <path clip-path=\"url(#p52d7497988)\" d=\"M 354.145627 252.718125 \r\n",
       "L 354.145627 252.398967 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"line2d_43\">\r\n",
       "    <path clip-path=\"url(#p52d7497988)\" d=\"M 354.70767 252.718125 \r\n",
       "L 354.70767 252.634624 \r\n",
       "\" style=\"fill:none;stroke:#0f0f0f;stroke-linecap:square;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"patch_3\">\r\n",
       "    <path d=\"M 66.053125 252.718125 \r\n",
       "L 66.053125 22.318125 \r\n",
       "\" style=\"fill:none;stroke:#000000;stroke-linecap:square;stroke-linejoin:miter;stroke-width:0.8;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"patch_4\">\r\n",
       "    <path d=\"M 368.453125 252.718125 \r\n",
       "L 368.453125 22.318125 \r\n",
       "\" style=\"fill:none;stroke:#000000;stroke-linecap:square;stroke-linejoin:miter;stroke-width:0.8;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"patch_5\">\r\n",
       "    <path d=\"M 66.053125 252.718125 \r\n",
       "L 368.453125 252.718125 \r\n",
       "\" style=\"fill:none;stroke:#000000;stroke-linecap:square;stroke-linejoin:miter;stroke-width:0.8;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"patch_6\">\r\n",
       "    <path d=\"M 66.053125 22.318125 \r\n",
       "L 368.453125 22.318125 \r\n",
       "\" style=\"fill:none;stroke:#000000;stroke-linecap:square;stroke-linejoin:miter;stroke-width:0.8;\"/>\r\n",
       "   </g>\r\n",
       "   <g id=\"text_14\">\r\n",
       "    <!-- Spectrum -->\r\n",
       "    <g transform=\"translate(188.178437 16.318125)scale(0.12 -0.12)\">\r\n",
       "     <defs>\r\n",
       "      <path d=\"M 53.515625 70.515625 \r\n",
       "L 53.515625 60.890625 \r\n",
       "Q 47.90625 63.578125 42.921875 64.890625 \r\n",
       "Q 37.9375 66.21875 33.296875 66.21875 \r\n",
       "Q 25.25 66.21875 20.875 63.09375 \r\n",
       "Q 16.5 59.96875 16.5 54.203125 \r\n",
       "Q 16.5 49.359375 19.40625 46.890625 \r\n",
       "Q 22.3125 44.4375 30.421875 42.921875 \r\n",
       "L 36.375 41.703125 \r\n",
       "Q 47.40625 39.59375 52.65625 34.296875 \r\n",
       "Q 57.90625 29 57.90625 20.125 \r\n",
       "Q 57.90625 9.515625 50.796875 4.046875 \r\n",
       "Q 43.703125 -1.421875 29.984375 -1.421875 \r\n",
       "Q 24.8125 -1.421875 18.96875 -0.25 \r\n",
       "Q 13.140625 0.921875 6.890625 3.21875 \r\n",
       "L 6.890625 13.375 \r\n",
       "Q 12.890625 10.015625 18.65625 8.296875 \r\n",
       "Q 24.421875 6.59375 29.984375 6.59375 \r\n",
       "Q 38.421875 6.59375 43.015625 9.90625 \r\n",
       "Q 47.609375 13.234375 47.609375 19.390625 \r\n",
       "Q 47.609375 24.75 44.3125 27.78125 \r\n",
       "Q 41.015625 30.8125 33.5 32.328125 \r\n",
       "L 27.484375 33.5 \r\n",
       "Q 16.453125 35.6875 11.515625 40.375 \r\n",
       "Q 6.59375 45.0625 6.59375 53.421875 \r\n",
       "Q 6.59375 63.09375 13.40625 68.65625 \r\n",
       "Q 20.21875 74.21875 32.171875 74.21875 \r\n",
       "Q 37.3125 74.21875 42.625 73.28125 \r\n",
       "Q 47.953125 72.359375 53.515625 70.515625 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-83\"/>\r\n",
       "      <path d=\"M 18.109375 8.203125 \r\n",
       "L 18.109375 -20.796875 \r\n",
       "L 9.078125 -20.796875 \r\n",
       "L 9.078125 54.6875 \r\n",
       "L 18.109375 54.6875 \r\n",
       "L 18.109375 46.390625 \r\n",
       "Q 20.953125 51.265625 25.265625 53.625 \r\n",
       "Q 29.59375 56 35.59375 56 \r\n",
       "Q 45.5625 56 51.78125 48.09375 \r\n",
       "Q 58.015625 40.1875 58.015625 27.296875 \r\n",
       "Q 58.015625 14.40625 51.78125 6.484375 \r\n",
       "Q 45.5625 -1.421875 35.59375 -1.421875 \r\n",
       "Q 29.59375 -1.421875 25.265625 0.953125 \r\n",
       "Q 20.953125 3.328125 18.109375 8.203125 \r\n",
       "z\r\n",
       "M 48.6875 27.296875 \r\n",
       "Q 48.6875 37.203125 44.609375 42.84375 \r\n",
       "Q 40.53125 48.484375 33.40625 48.484375 \r\n",
       "Q 26.265625 48.484375 22.1875 42.84375 \r\n",
       "Q 18.109375 37.203125 18.109375 27.296875 \r\n",
       "Q 18.109375 17.390625 22.1875 11.75 \r\n",
       "Q 26.265625 6.109375 33.40625 6.109375 \r\n",
       "Q 40.53125 6.109375 44.609375 11.75 \r\n",
       "Q 48.6875 17.390625 48.6875 27.296875 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-112\"/>\r\n",
       "      <path d=\"M 48.78125 52.59375 \r\n",
       "L 48.78125 44.1875 \r\n",
       "Q 44.96875 46.296875 41.140625 47.34375 \r\n",
       "Q 37.3125 48.390625 33.40625 48.390625 \r\n",
       "Q 24.65625 48.390625 19.8125 42.84375 \r\n",
       "Q 14.984375 37.3125 14.984375 27.296875 \r\n",
       "Q 14.984375 17.28125 19.8125 11.734375 \r\n",
       "Q 24.65625 6.203125 33.40625 6.203125 \r\n",
       "Q 37.3125 6.203125 41.140625 7.25 \r\n",
       "Q 44.96875 8.296875 48.78125 10.40625 \r\n",
       "L 48.78125 2.09375 \r\n",
       "Q 45.015625 0.34375 40.984375 -0.53125 \r\n",
       "Q 36.96875 -1.421875 32.421875 -1.421875 \r\n",
       "Q 20.0625 -1.421875 12.78125 6.34375 \r\n",
       "Q 5.515625 14.109375 5.515625 27.296875 \r\n",
       "Q 5.515625 40.671875 12.859375 48.328125 \r\n",
       "Q 20.21875 56 33.015625 56 \r\n",
       "Q 37.15625 56 41.109375 55.140625 \r\n",
       "Q 45.0625 54.296875 48.78125 52.59375 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-99\"/>\r\n",
       "      <path d=\"M 41.109375 46.296875 \r\n",
       "Q 39.59375 47.171875 37.8125 47.578125 \r\n",
       "Q 36.03125 48 33.890625 48 \r\n",
       "Q 26.265625 48 22.1875 43.046875 \r\n",
       "Q 18.109375 38.09375 18.109375 28.8125 \r\n",
       "L 18.109375 0 \r\n",
       "L 9.078125 0 \r\n",
       "L 9.078125 54.6875 \r\n",
       "L 18.109375 54.6875 \r\n",
       "L 18.109375 46.1875 \r\n",
       "Q 20.953125 51.171875 25.484375 53.578125 \r\n",
       "Q 30.03125 56 36.53125 56 \r\n",
       "Q 37.453125 56 38.578125 55.875 \r\n",
       "Q 39.703125 55.765625 41.0625 55.515625 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-114\"/>\r\n",
       "      <path d=\"M 8.5 21.578125 \r\n",
       "L 8.5 54.6875 \r\n",
       "L 17.484375 54.6875 \r\n",
       "L 17.484375 21.921875 \r\n",
       "Q 17.484375 14.15625 20.5 10.265625 \r\n",
       "Q 23.53125 6.390625 29.59375 6.390625 \r\n",
       "Q 36.859375 6.390625 41.078125 11.03125 \r\n",
       "Q 45.3125 15.671875 45.3125 23.6875 \r\n",
       "L 45.3125 54.6875 \r\n",
       "L 54.296875 54.6875 \r\n",
       "L 54.296875 0 \r\n",
       "L 45.3125 0 \r\n",
       "L 45.3125 8.40625 \r\n",
       "Q 42.046875 3.421875 37.71875 1 \r\n",
       "Q 33.40625 -1.421875 27.6875 -1.421875 \r\n",
       "Q 18.265625 -1.421875 13.375 4.4375 \r\n",
       "Q 8.5 10.296875 8.5 21.578125 \r\n",
       "z\r\n",
       "M 31.109375 56 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-117\"/>\r\n",
       "      <path d=\"M 52 44.1875 \r\n",
       "Q 55.375 50.25 60.0625 53.125 \r\n",
       "Q 64.75 56 71.09375 56 \r\n",
       "Q 79.640625 56 84.28125 50.015625 \r\n",
       "Q 88.921875 44.046875 88.921875 33.015625 \r\n",
       "L 88.921875 0 \r\n",
       "L 79.890625 0 \r\n",
       "L 79.890625 32.71875 \r\n",
       "Q 79.890625 40.578125 77.09375 44.375 \r\n",
       "Q 74.3125 48.1875 68.609375 48.1875 \r\n",
       "Q 61.625 48.1875 57.5625 43.546875 \r\n",
       "Q 53.515625 38.921875 53.515625 30.90625 \r\n",
       "L 53.515625 0 \r\n",
       "L 44.484375 0 \r\n",
       "L 44.484375 32.71875 \r\n",
       "Q 44.484375 40.625 41.703125 44.40625 \r\n",
       "Q 38.921875 48.1875 33.109375 48.1875 \r\n",
       "Q 26.21875 48.1875 22.15625 43.53125 \r\n",
       "Q 18.109375 38.875 18.109375 30.90625 \r\n",
       "L 18.109375 0 \r\n",
       "L 9.078125 0 \r\n",
       "L 9.078125 54.6875 \r\n",
       "L 18.109375 54.6875 \r\n",
       "L 18.109375 46.1875 \r\n",
       "Q 21.1875 51.21875 25.484375 53.609375 \r\n",
       "Q 29.78125 56 35.6875 56 \r\n",
       "Q 41.65625 56 45.828125 52.96875 \r\n",
       "Q 50 49.953125 52 44.1875 \r\n",
       "z\r\n",
       "\" id=\"DejaVuSans-109\"/>\r\n",
       "     </defs>\r\n",
       "     <use xlink:href=\"#DejaVuSans-83\"/>\r\n",
       "     <use x=\"63.476562\" xlink:href=\"#DejaVuSans-112\"/>\r\n",
       "     <use x=\"126.953125\" xlink:href=\"#DejaVuSans-101\"/>\r\n",
       "     <use x=\"188.476562\" xlink:href=\"#DejaVuSans-99\"/>\r\n",
       "     <use x=\"243.457031\" xlink:href=\"#DejaVuSans-116\"/>\r\n",
       "     <use x=\"282.666016\" xlink:href=\"#DejaVuSans-114\"/>\r\n",
       "     <use x=\"323.779297\" xlink:href=\"#DejaVuSans-117\"/>\r\n",
       "     <use x=\"387.158203\" xlink:href=\"#DejaVuSans-109\"/>\r\n",
       "    </g>\r\n",
       "   </g>\r\n",
       "  </g>\r\n",
       " </g>\r\n",
       " <defs>\r\n",
       "  <clipPath id=\"p52d7497988\">\r\n",
       "   <rect height=\"230.4\" width=\"302.4\" x=\"66.053125\" y=\"22.318125\"/>\r\n",
       "  </clipPath>\r\n",
       " </defs>\r\n",
       "</svg>\r\n"
      ],
      "text/plain": [
       "<Figure size 432x288 with 1 Axes>"
      ]
     },
     "metadata": {
      "needs_background": "light"
     },
     "output_type": "display_data"
    }
   ],
   "source": [
    "from IPython.display import set_matplotlib_formats\n",
    "set_matplotlib_formats('svg')\n",
    "targets[1].plot()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 46,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Found 189 spectra containing target name\n"
     ]
    }
   ],
   "source": [
    "#now a spectrum for a quercetin based molecule\n",
    "targets2 = []\n",
    "target_name2 = \"quercetin\"\n",
    "for spectrum in spectrums:\n",
    "    comp_name = spectrum.metadata.get(\"compound_name\")\n",
    "    smiles = spectrum.metadata.get(\"smiles\")\n",
    "    if comp_name and smiles:\n",
    "        if target_name2 in comp_name.lower():\n",
    "            targets2.append(spectrum)\n",
    "print(f\"Found {len(targets2)} spectra containing target name\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 47,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "0 Quercetin\n",
      "1 Quercetin 3-O-alpha-rhamnopy ranoside\n",
      "2 3-O-methylquercetin\n",
      "3 3'-O-Methylquercetin\n",
      "4 3-O-beta-(6''-trans-caffeoyl)-galactopyranosyl quercetin\n",
      "5 3-O-beta-(6''-trans-caffeoyl)-galactopyranosyl quercetin\n",
      "6 Quercetin 3,7-dimethyl ether\n",
      "7 quercetin-3-O-robinobioside\n",
      "8 quercetin-3-O-glc-1-3-rham-1-6-glucoside\n",
      "9 dihydroquercetin\n",
      "10 quercetin\n",
      "11 quercetin-3-O-pentosyl-7-O-hexoside\n",
      "12 quercetin-3-O-hexoside\n",
      "13 quercetin-3-O-pentosyl-pentoside\n",
      "14 quercetin-3-O-pentoside\n",
      "15 quercetin-3-O-deoxyhexoside\n",
      "16 quercetin\n",
      "17 quercetin\n",
      "18 Quercetin\n",
      "19 Quercetin\n",
      "20 Quercetin\n",
      "21 Quercetin 3,5,7,3',4'-pentamethyl ether\n",
      "22 Quercetin\n",
      "23 Quercetin\n",
      "24 Quercetin 3'-methyl ether\n",
      "25 Quercetin 3,5,7,3',4'-pentamethyl ether\n",
      "26 Quercetin\n",
      "27 Quercetin\n",
      "28 Quercetin-3,7,3',4'-tetramethyl ether\n",
      "29 Quercetin 3'-methyl ether\n",
      "30 BML01255 Dihydroquercetin|2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychroman-4-one\n",
      "31 BML01383 Peracetate Quercetin\n",
      "32 BML01392 Peracetate Quercetin\n",
      "33 BML01401 Peracetate Quercetin\n",
      "34 Quercetin\n",
      "35 Quercetin\n",
      "36 Quercetin\n",
      "37 FIO00272 Quercetin\n",
      "38 FIO00273 Quercetin\n",
      "39 FIO00274 Quercetin\n",
      "40 FIO00275 Quercetin\n",
      "41 FIO00276 Quercetin\n",
      "42 FIO00272 Quercetin\n",
      "43 FIO00273 Quercetin\n",
      "44 FIO00274 Quercetin\n",
      "45 FIO00275 Quercetin\n",
      "46 FIO00276 Quercetin\n",
      "47 Quercetin 3-(6-O-acetyl-beta-glucoside)\n",
      "48 Quercetin 3-(6-O-acetyl-beta-glucoside)\n",
      "49 Quercetin 3-(6-O-acetyl-beta-glucoside)\n",
      "50 Quercetin 3-(6-O-acetyl-beta-glucoside)\n",
      "51 Quercetin 3,4'-diglucoside\n",
      "52 7-Methylquercetin-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside\n",
      "53 Quercetin-3-(6-malonyl)-Glucoside\n",
      "54 Quercetin-3-rhamnoside-7-rhamnoside\n",
      "55 Quercetin-3-O-alpha-L-rhamnopyranosyl(1-\n",
      "56 Quercetin-3-O-b-glucopyranosyl-7-O-a-rhamnopyranoside\n",
      "57 Quercetin\n",
      "58 Quercetin\n",
      "59 3-methylquercetin\n",
      "60 3-methylquercetin\n",
      "61 Pinoquercetin\n",
      "62 Pinoquercetin\n",
      "63 quercetin 3-O-glucuronide\n",
      "64 quercetin 3-O-glucuronide\n",
      "65 Quercetin 3-O-malonylglucoside\n",
      "66 Quercetin 3-O-malonylglucoside\n",
      "67 Quercetin Pentamethyl Ether\n",
      "68 Quercetin Pentamethyl Ether\n",
      "69 Quercetin\n",
      "70 Quercetin\n",
      "71 Quercetin\n",
      "72 Quercetin\n",
      "73 Quercetin\n",
      "74 Quercetin\n",
      "75 Quercetin\n",
      "76 Quercetin\n",
      "77 Quercetin\n",
      "78 Quercetin\n",
      "79 3-methylquercetin\n",
      "80 3-methylquercetin\n",
      "81 3-methylquercetin\n",
      "82 Pinoquercetin\n",
      "83 Pinoquercetin\n",
      "84 Pinoquercetin\n",
      "85 Pinoquercetin\n",
      "86 Pinoquercetin\n",
      "87 Pinoquercetin\n",
      "88 Pinoquercetin\n",
      "89 Pinoquercetin\n",
      "90 Pinoquercetin\n",
      "91 Quercetin Pentamethyl Ether\n",
      "92 Quercetin Pentamethyl Ether\n",
      "93 Quercetin Pentamethyl Ether\n",
      "94 Quercetin\n",
      "95 Quercetin\n",
      "96 Quercetin\n",
      "97 quercetin 3-O-glucuronide\n",
      "98 quercetin 3-O-glucuronide\n",
      "99 quercetin 3-O-glucuronide\n",
      "100 quercetin 3-O-glucuronide\n",
      "101 quercetin 3-O-glucuronide\n",
      "102 quercetin 3-O-glucuronide\n",
      "103 quercetin 3-O-glucuronide\n",
      "104 quercetin 3-O-glucuronide\n",
      "105 quercetin 3-O-glucuronide\n",
      "106 Quercetin 3-O-malonylglucoside\n",
      "107 Quercetin 3-O-malonylglucoside\n",
      "108 Quercetin 3-O-malonylglucoside\n",
      "109 Quercetin 3-O-malonylglucoside\n",
      "110 Quercetin 3-O-malonylglucoside\n",
      "111 Quercetin 3-O-malonylglucoside\n",
      "112 Quercetin 3-O-malonylglucoside\n",
      "113 Quercetin 3-O-malonylglucoside\n",
      "114 Quercetin 3-O-malonylglucoside\n",
      "115 3-methylquercetin\n",
      "116 3-methylquercetin\n",
      "117 3-methylquercetin\n",
      "118 Pinoquercetin\n",
      "119 Pinoquercetin\n",
      "120 Pinoquercetin\n",
      "121 Quercetin 3-O-malonylglucoside\n",
      "122 Quercetin 3-O-malonylglucoside\n",
      "123 Quercetin 3-O-malonylglucoside\n",
      "124 quercetin 3-O-glucuronide\n",
      "125 quercetin 3-O-glucuronide\n",
      "126 quercetin 3-O-glucuronide\n",
      "127 Quercetin\n",
      "128 Quercetin\n",
      "129 Quercetin\n",
      "130 Quercetin\n",
      "131 Quercetin 3-O-alpha-rhamnopyranoside\n",
      "132 3'-O-Methyl quercetin\n",
      "133 Quercetin glucuronide\n",
      "134 Quercetin 3-glucoside\n",
      "135 Quercetin-3-O-glucoside\n",
      "136 Quercetin-3-O-xyloside\n",
      "137 Quercetin 3-O-arabinoside\n",
      "138 Quercetin-3-rhamnoside\n",
      "139 Quercetin-3-rhamnoside-7-glucoside\n",
      "140 quercetin 3-(6''-acetylglucoside)\n",
      "141 quercetin 3-(6''-acetylglucoside)\n",
      "142 quercetin 3-(6''-acetylglucoside)\n",
      "143 quercetin 3-(6''-acetylglucoside)\n",
      "144 quercetin 3-(6''-acetylglucoside)\n",
      "145 quercetin 3-(6''-acetylglucoside)\n",
      "146 quercetin 3-(6''-acetylglucoside)\n",
      "147 quercetin 3-(6''-acetylglucoside)\n",
      "148 quercetin 3-(6''-acetylglucoside)\n",
      "149 quercetin 3-(6''-acetylglucoside)\n",
      "150 quercetin 3-(6''-acetylglucoside)\n",
      "151 quercetin 3-(6''-acetylglucoside)\n",
      "152 Quercetin-3-neohesperidoside-7-rhamnoside\n",
      "153 Quercetin-3-neohesperidoside-7-rhamnoside\n",
      "154 Quercetin-3-neohesperidoside-7-rhamnoside\n",
      "155 Quercetin-3-neohesperidoside-7-rhamnoside\n",
      "156 Quercetin-3-neohesperidoside-7-rhamnoside\n",
      "157 Quercetin-3-neohesperidoside-7-rhamnoside\n",
      "158 Quercetin-3-neohesperidoside-7-rhamnoside\n",
      "159 Quercetin-3-neohesperidoside-7-rhamnoside\n",
      "160 Quercetin-3-neohesperidoside-7-rhamnoside\n",
      "161 Quercetin-3-neohesperidoside-7-rhamnoside\n",
      "162 Quercetin-3-neohesperidoside-7-rhamnoside\n",
      "163 Quercetin-3-neohesperidoside-7-rhamnoside\n",
      "164 quercetin-3-glucoside-7-rhamnoside\n",
      "165 quercetin-3-glucoside-7-rhamnoside\n",
      "166 quercetin-3-glucoside-7-rhamnoside\n",
      "167 quercetin-3-glucoside-7-rhamnoside\n",
      "168 quercetin-3-glucoside-7-rhamnoside\n",
      "169 quercetin-3-glucoside-7-rhamnoside\n",
      "170 Quercetin 3,4'-diglucoside\n",
      "171 Quercetin 3,4'-diglucoside\n",
      "172 Quercetin 3,4'-diglucoside\n",
      "173 Quercetin 3,4'-diglucoside\n",
      "174 Quercetin 3,4'-diglucoside\n",
      "175 Quercetin 3,4'-diglucoside\n",
      "176 Quercetin 3,4'-diglucoside\n",
      "177 Quercetin 3,4'-diglucoside\n",
      "178 Quercetin 3,4'-diglucoside\n",
      "179 Quercetin 3,4'-diglucoside\n",
      "180 Quercetin 3,4'-diglucoside\n",
      "181 Quercetin 3,4'-diglucoside\n",
      "182 quercetin 3-(6''-acetylglucoside)\n",
      "183 Quercetin 3-(6''-malonylglucoside)\n",
      "184 Quercetin-3-neohesperidoside-7-rhamnoside\n",
      "185 quercetin-3-glucoside-7-rhamnoside\n",
      "186 Quercetin\n",
      "187 Quercetin\n",
      "188 Quercetin\n"
     ]
    }
   ],
   "source": [
    "for i, target in enumerate(targets2):\n",
    "    print(i, target.get(\"compound_name\"))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 51,
   "metadata": {},
   "outputs": [],
   "source": [
    "#lets do 47 Quercetin 3-(6-O-acetyl-beta-glucoside)\n",
    "\n",
    "x = 64\n",
    "outfile = os.path.join(path_data, f\"{targets2[x].get('compound_name')}.json\")\n",
    "save_as_json(targets2[x:x+1], outfile)\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 52,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "{'spectrum_id': 'CCMSLIB00004687777',\n",
       " 'source_file': 'library_mgf.mgf',\n",
       " 'task': 'f781073849a843edb5b9decdb0f79acd',\n",
       " 'scan': '-1',\n",
       " 'ms_level': '2',\n",
       " 'library_membership': 'MONA',\n",
       " 'spectrum_status': '1',\n",
       " 'splash': 'null-null-null-null',\n",
       " 'submit_user': 'mwang87',\n",
       " 'compound_name': 'quercetin 3-O-glucuronide',\n",
       " 'ion_source': 'N/A',\n",
       " 'compound_source': 'isolated',\n",
       " 'instrument': 'Linear Ion Trap',\n",
       " 'pi': 'MoNA',\n",
       " 'data_collector': 'MoNA:VF-NPL-LTQ004012',\n",
       " 'adduct': 'M-H',\n",
       " 'precursor_mz': 516.889,\n",
       " 'exactmass': '0.0',\n",
       " 'charge': 1,\n",
       " 'cas_number': 'N/A',\n",
       " 'pubmed_id': 'N/A',\n",
       " 'smiles': 'O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O',\n",
       " 'inchi': 'InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1',\n",
       " 'inchiaux': 'N/A',\n",
       " 'library_class': '3',\n",
       " 'spectrumid': 'CCMSLIB00004687777',\n",
       " 'ionmode': 'positive',\n",
       " 'create_time': '2018-10-08 19:44:36.0',\n",
       " 'task_id': 'f781073849a843edb5b9decdb0f79acd',\n",
       " 'user_id': 'null',\n",
       " 'inchikey_smiles': 'DUBCCGAQYVUYEU-ZUGPOPFOSA-N',\n",
       " 'inchikey_inchi': '',\n",
       " 'formula_smiles': 'C21H18O13',\n",
       " 'formula_inchi': '',\n",
       " 'url': 'https://gnps.ucsd.edu/ProteoSAFe/gnpslibraryspectrum.jsp?SpectrumID=CCMSLIB00004687777',\n",
       " 'annotation_history': [{'Compound_Name': 'quercetin 3-O-glucuronide',\n",
       "   'Ion_Source': 'N/A',\n",
       "   'Compound_Source': 'isolated',\n",
       "   'Instrument': 'Linear Ion Trap',\n",
       "   'PI': 'MoNA',\n",
       "   'Data_Collector': 'MoNA:VF-NPL-LTQ004012',\n",
       "   'Adduct': 'M-H',\n",
       "   'Scan': '-1',\n",
       "   'Precursor_MZ': '516.889',\n",
       "   'ExactMass': '0.0',\n",
       "   'Charge': '1',\n",
       "   'CAS_Number': 'N/A',\n",
       "   'Pubmed_ID': 'N/A',\n",
       "   'Smiles': 'N/A',\n",
       "   'INCHI': 'InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1',\n",
       "   'INCHI_AUX': 'N/A',\n",
       "   'Library_Class': '3',\n",
       "   'SpectrumID': 'CCMSLIB00004687777',\n",
       "   'Ion_Mode': 'positive',\n",
       "   'create_time': '2018-10-08 19:44:36.0',\n",
       "   'task_id': 'f781073849a843edb5b9decdb0f79acd',\n",
       "   'user_id': 'mwang87'}],\n",
       " 'parent_mass': 515.8817235480093,\n",
       " 'inchikey': 'DUBCCGAQYVUYEU-ZUGPOPFOSA-N'}"
      ]
     },
     "execution_count": 52,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "targets2[x].metadata"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 28,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Found 41 spectra containing target name\n"
     ]
    }
   ],
   "source": [
    "#now a spectrum for a  based molecule\n",
    "targets3 = []\n",
    "target_name3 = \"ferulic acid\"\n",
    "for spectrum in spectrums:\n",
    "    comp_name = spectrum.metadata.get(\"compound_name\")\n",
    "    if comp_name:\n",
    "        if target_name3 in comp_name.lower():\n",
    "            targets3.append(spectrum)\n",
    "print(f\"Found {len(targets3)} spectra containing target name\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 30,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "0 trans-Ferulic Acid\n",
      "1 trans-Ferulic acid\n",
      "2 trans-Ferulic acid\n",
      "3 trans-Ferulic acid\n",
      "4 trans-Ferulic acid\n",
      "5 trans-Ferulic acid\n",
      "6 trans-Ferulic acid\n",
      "7 trans-Ferulic acid\n",
      "8 trans-Ferulic acid\n",
      "9 trans-Ferulic acid\n",
      "10 Ferulic Acid\n",
      "11 Ferulic Acid\n",
      "12 isoferulic acid\n",
      "13 isoferulic acid\n",
      "14 isoferulic acid\n",
      "15 isoferulic acid\n",
      "16 isoferulic acid\n",
      "17 isoferulic acid\n",
      "18 isoferulic acid\n",
      "19 isoferulic acid\n",
      "20 isoferulic acid\n",
      "21 isoferulic acid\n",
      "22 isoferulic acid\n",
      "23 isoferulic acid\n",
      "24 Ferulic Acid\n",
      "25 Ferulic Acid\n",
      "26 Ferulic Acid\n",
      "27 Ferulic Acid\n",
      "28 Ferulic Acid\n",
      "29 Ferulic Acid\n",
      "30 Ferulic Acid\n",
      "31 Ferulic Acid\n",
      "32 Ferulic Acid\n",
      "33 Ferulic Acid\n",
      "34 Ferulic Acid\n",
      "35 Ferulic Acid\n",
      "36 Ferulic acid glucuronide\n",
      "37 Ferulic acid hexose\n",
      "38 trans-Ferulic acid\n",
      "39 trans-Ferulic acid\n",
      "40 trans-Ferulic acid\n"
     ]
    }
   ],
   "source": [
    "for i, target in enumerate(targets3):\n",
    "    print(i, target.get(\"compound_name\"))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 33,
   "metadata": {},
   "outputs": [],
   "source": [
    "#lets do 12 Ferulic acid hexose\n",
    "x = 12\n",
    "outfile = os.path.join(path_data, \"isoferulic acid.json\")\n",
    "save_as_json(targets3[x:x+1], outfile)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 53,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "'QURCVMIEKCOAJU-HWKANZROSA-N'"
      ]
     },
     "execution_count": 53,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "targets3[12].get(\"inchikey\")"
   ]
  }
 ],
 "metadata": {
  "kernelspec": {
   "display_name": "Python 3",
   "language": "python",
   "name": "python3"
  },
  "language_info": {
   "codemirror_mode": {
    "name": "ipython",
    "version": 3
   },
   "file_extension": ".py",
   "mimetype": "text/x-python",
   "name": "python",
   "nbconvert_exporter": "python",
   "pygments_lexer": "ipython3",
   "version": "3.7.7"
  }
 },
 "nbformat": 4,
 "nbformat_minor": 4
}