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epassaro/si2_osc_kurucz.ipynb

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si2_osc_kurucz.ipynb
{
"cells": [
{
"cell_type": "markdown",
"metadata": {},
"source": [
"# TARDIS - First objective for TEP004 (Atomic Database)"
]
},
{
"cell_type": "code",
"execution_count": 1,
"metadata": {},
"outputs": [],
"source": [
"import numpy as np\n",
"import pandas as pd"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"### Defining some useful functions"
]
},
{
"cell_type": "code",
"execution_count": 2,
"metadata": {},
"outputs": [],
"source": [
"def search_header(file, string):\n",
" \"\"\" Returns values from header. \"\"\"\n",
" \n",
" with open(file) as f:\n",
" for line in f: \n",
" if string in line:\n",
" break\n",
" \n",
" n = int(line.split()[0])\n",
" return(n)"
]
},
{
"cell_type": "code",
"execution_count": 3,
"metadata": {},
"outputs": [],
"source": [
"def find_row(file, string):\n",
" \"\"\" Returns row number when match. Useful for skipping rows. \"\"\"\n",
" with open(file) as f:\n",
" \n",
" n = 0\n",
" for line in f: \n",
" \n",
" n += 1\n",
" if string in line:\n",
" break\n",
" \n",
" return(n-1)"
]
},
{
"cell_type": "code",
"execution_count": 4,
"metadata": {},
"outputs": [
{
"data": {
"text/html": [
"<div>\n",
"<style scoped>\n",
" .dataframe tbody tr th:only-of-type {\n",
" vertical-align: middle;\n",
" }\n",
"\n",
" .dataframe tbody tr th {\n",
" vertical-align: top;\n",
" }\n",
"\n",
" .dataframe thead th {\n",
" text-align: right;\n",
" }\n",
"</style>\n",
"<table border=\"1\" class=\"dataframe\">\n",
" <thead>\n",
" <tr style=\"text-align: right;\">\n",
" <th></th>\n",
" <th>Energy Level</th>\n",
" <th>g</th>\n",
" <th>E(cm^-1)</th>\n",
" <th>10^15 Hz</th>\n",
" <th>eV</th>\n",
" <th>Lam(A)</th>\n",
" <th>ID</th>\n",
" <th>ARAD</th>\n",
" <th>C4</th>\n",
" <th>C6</th>\n",
" </tr>\n",
" </thead>\n",
" <tbody>\n",
" <tr>\n",
" <th>0</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>2.0</td>\n",
" <td>0.000000</td>\n",
" <td>3.95241</td>\n",
" <td>16.346</td>\n",
" <td>758.5</td>\n",
" <td>1</td>\n",
" <td>0.000000e+00</td>\n",
" <td>-5.290000e-17</td>\n",
" <td>7.470000e-33</td>\n",
" </tr>\n",
" <tr>\n",
" <th>1</th>\n",
" <td>3s2_3p_2Po[3/2]</td>\n",
" <td>4.0</td>\n",
" <td>287.240000</td>\n",
" <td>3.94380</td>\n",
" <td>16.310</td>\n",
" <td>760.2</td>\n",
" <td>2</td>\n",
" <td>0.000000e+00</td>\n",
" <td>-5.300000e-17</td>\n",
" <td>7.460000e-33</td>\n",
" </tr>\n",
" <tr>\n",
" <th>2</th>\n",
" <td>3s_3p2_4Pe[1/2]</td>\n",
" <td>2.0</td>\n",
" <td>42824.290000</td>\n",
" <td>2.66857</td>\n",
" <td>11.036</td>\n",
" <td>1123.0</td>\n",
" <td>3</td>\n",
" <td>1.222000e+04</td>\n",
" <td>-5.340000e-17</td>\n",
" <td>7.490000e-33</td>\n",
" </tr>\n",
" <tr>\n",
" <th>3</th>\n",
" <td>3s_3p2_4Pe[3/2]</td>\n",
" <td>4.0</td>\n",
" <td>42932.620000</td>\n",
" <td>2.66532</td>\n",
" <td>11.023</td>\n",
" <td>1125.0</td>\n",
" <td>4</td>\n",
" <td>2.110000e+03</td>\n",
" <td>-5.340000e-17</td>\n",
" <td>7.490000e-33</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4</th>\n",
" <td>3s_3p2_4Pe[5/2]</td>\n",
" <td>6.0</td>\n",
" <td>43107.910000</td>\n",
" <td>2.66007</td>\n",
" <td>11.001</td>\n",
" <td>1127.0</td>\n",
" <td>5</td>\n",
" <td>3.246000e+03</td>\n",
" <td>-5.350000e-17</td>\n",
" <td>7.490000e-33</td>\n",
" </tr>\n",
" <tr>\n",
" <th>5</th>\n",
" <td>3s_3p2_2De[3/2]</td>\n",
" <td>4.0</td>\n",
" <td>55309.350000</td>\n",
" <td>2.29428</td>\n",
" <td>9.488</td>\n",
" <td>1307.0</td>\n",
" <td>6</td>\n",
" <td>8.386000e+05</td>\n",
" <td>-6.480000e-17</td>\n",
" <td>7.660000e-33</td>\n",
" </tr>\n",
" <tr>\n",
" <th>6</th>\n",
" <td>3s_3p2_2De[5/2]</td>\n",
" <td>6.0</td>\n",
" <td>55325.180000</td>\n",
" <td>2.29380</td>\n",
" <td>9.486</td>\n",
" <td>1307.0</td>\n",
" <td>7</td>\n",
" <td>7.986000e+05</td>\n",
" <td>-6.480000e-17</td>\n",
" <td>7.660000e-33</td>\n",
" </tr>\n",
" <tr>\n",
" <th>7</th>\n",
" <td>3s2_4s_2Se[1/2]</td>\n",
" <td>2.0</td>\n",
" <td>65500.470000</td>\n",
" <td>1.98875</td>\n",
" <td>8.225</td>\n",
" <td>1507.0</td>\n",
" <td>8</td>\n",
" <td>1.087000e+09</td>\n",
" <td>-6.790000e-16</td>\n",
" <td>2.030000e-32</td>\n",
" </tr>\n",
" <tr>\n",
" <th>8</th>\n",
" <td>3s_3p2_2Se[1/2]</td>\n",
" <td>2.0</td>\n",
" <td>76665.350000</td>\n",
" <td>1.65404</td>\n",
" <td>6.841</td>\n",
" <td>1812.0</td>\n",
" <td>9</td>\n",
" <td>1.111000e+09</td>\n",
" <td>-9.140000e-17</td>\n",
" <td>1.130000e-32</td>\n",
" </tr>\n",
" <tr>\n",
" <th>9</th>\n",
" <td>3s2_3d_2De[3/2]</td>\n",
" <td>4.0</td>\n",
" <td>79338.500000</td>\n",
" <td>1.57390</td>\n",
" <td>6.509</td>\n",
" <td>1905.0</td>\n",
" <td>10</td>\n",
" <td>3.597000e+09</td>\n",
" <td>-1.210000e-15</td>\n",
" <td>1.600000e-32</td>\n",
" </tr>\n",
" <tr>\n",
" <th>10</th>\n",
" <td>3s2_3d_2De[5/2]</td>\n",
" <td>6.0</td>\n",
" <td>79355.020000</td>\n",
" <td>1.57340</td>\n",
" <td>6.507</td>\n",
" <td>1905.0</td>\n",
" <td>11</td>\n",
" <td>3.565000e+09</td>\n",
" <td>-1.200000e-15</td>\n",
" <td>1.600000e-32</td>\n",
" </tr>\n",
" <tr>\n",
" <th>11</th>\n",
" <td>3s2_4p_2Po[1/2]</td>\n",
" <td>2.0</td>\n",
" <td>81191.340000</td>\n",
" <td>1.51835</td>\n",
" <td>6.279</td>\n",
" <td>1974.0</td>\n",
" <td>12</td>\n",
" <td>1.193000e+08</td>\n",
" <td>1.540000e-15</td>\n",
" <td>2.900000e-32</td>\n",
" </tr>\n",
" <tr>\n",
" <th>12</th>\n",
" <td>3s2_4p_2Po[3/2]</td>\n",
" <td>4.0</td>\n",
" <td>81251.320000</td>\n",
" <td>1.51655</td>\n",
" <td>6.272</td>\n",
" <td>1977.0</td>\n",
" <td>13</td>\n",
" <td>1.204000e+08</td>\n",
" <td>1.490000e-15</td>\n",
" <td>2.900000e-32</td>\n",
" </tr>\n",
" <tr>\n",
" <th>13</th>\n",
" <td>3s_3p2_2Pe[1/2]</td>\n",
" <td>2.0</td>\n",
" <td>83801.950000</td>\n",
" <td>1.44009</td>\n",
" <td>5.956</td>\n",
" <td>2082.0</td>\n",
" <td>14</td>\n",
" <td>4.245000e+09</td>\n",
" <td>-7.640000e-17</td>\n",
" <td>1.390000e-32</td>\n",
" </tr>\n",
" <tr>\n",
" <th>14</th>\n",
" <td>3s_3p2_2Pe[3/2]</td>\n",
" <td>4.0</td>\n",
" <td>84004.260000</td>\n",
" <td>1.43402</td>\n",
" <td>5.931</td>\n",
" <td>2091.0</td>\n",
" <td>15</td>\n",
" <td>4.256000e+09</td>\n",
" <td>-7.640000e-17</td>\n",
" <td>1.390000e-32</td>\n",
" </tr>\n",
" <tr>\n",
" <th>15</th>\n",
" <td>3s2_5s_2Se[1/2]</td>\n",
" <td>2.0</td>\n",
" <td>97972.090000</td>\n",
" <td>1.01528</td>\n",
" <td>4.199</td>\n",
" <td>2953.0</td>\n",
" <td>16</td>\n",
" <td>4.281000e+08</td>\n",
" <td>-5.930000e-15</td>\n",
" <td>7.250000e-32</td>\n",
" </tr>\n",
" <tr>\n",
" <th>16</th>\n",
" <td>3s2_4d_2De[3/2]</td>\n",
" <td>4.0</td>\n",
" <td>101023.050000</td>\n",
" <td>0.92381</td>\n",
" <td>3.821</td>\n",
" <td>3245.0</td>\n",
" <td>17</td>\n",
" <td>7.767000e+08</td>\n",
" <td>-8.970000e-15</td>\n",
" <td>5.680000e-32</td>\n",
" </tr>\n",
" <tr>\n",
" <th>17</th>\n",
" <td>3s2_4d_2De[5/2]</td>\n",
" <td>6.0</td>\n",
" <td>101024.350000</td>\n",
" <td>0.92377</td>\n",
" <td>3.820</td>\n",
" <td>3245.0</td>\n",
" <td>18</td>\n",
" <td>7.704000e+08</td>\n",
" <td>-8.950000e-15</td>\n",
" <td>5.680000e-32</td>\n",
" </tr>\n",
" <tr>\n",
" <th>18</th>\n",
" <td>3s2_4f_2Fo[7/2]</td>\n",
" <td>8.0</td>\n",
" <td>103556.030000</td>\n",
" <td>0.84788</td>\n",
" <td>3.507</td>\n",
" <td>3536.0</td>\n",
" <td>19</td>\n",
" <td>3.413000e+08</td>\n",
" <td>2.460000e-15</td>\n",
" <td>5.500000e-32</td>\n",
" </tr>\n",
" <tr>\n",
" <th>19</th>\n",
" <td>3s2_4f_2Fo[5/2]</td>\n",
" <td>6.0</td>\n",
" <td>103556.160000</td>\n",
" <td>0.84787</td>\n",
" <td>3.507</td>\n",
" <td>3536.0</td>\n",
" <td>20</td>\n",
" <td>3.419000e+08</td>\n",
" <td>2.460000e-15</td>\n",
" <td>5.500000e-32</td>\n",
" </tr>\n",
" <tr>\n",
" <th>20</th>\n",
" <td>3s2_5p_2Po[1/2]</td>\n",
" <td>2.0</td>\n",
" <td>103860.740000</td>\n",
" <td>0.83874</td>\n",
" <td>3.469</td>\n",
" <td>3574.0</td>\n",
" <td>21</td>\n",
" <td>4.928000e+07</td>\n",
" <td>4.060000e-15</td>\n",
" <td>9.520000e-32</td>\n",
" </tr>\n",
" <tr>\n",
" <th>21</th>\n",
" <td>3s2_5p_2Po[3/2]</td>\n",
" <td>4.0</td>\n",
" <td>103885.250000</td>\n",
" <td>0.83801</td>\n",
" <td>3.466</td>\n",
" <td>3577.0</td>\n",
" <td>22</td>\n",
" <td>4.926000e+07</td>\n",
" <td>4.000000e-15</td>\n",
" <td>9.520000e-32</td>\n",
" </tr>\n",
" <tr>\n",
" <th>22</th>\n",
" <td>3s_3p(3Po)3d_2Do[3/2]</td>\n",
" <td>4.0</td>\n",
" <td>108778.700000</td>\n",
" <td>0.69130</td>\n",
" <td>2.859</td>\n",
" <td>4337.0</td>\n",
" <td>23</td>\n",
" <td>7.174000e+05</td>\n",
" <td>-6.880000e-17</td>\n",
" <td>6.780000e-33</td>\n",
" </tr>\n",
" <tr>\n",
" <th>23</th>\n",
" <td>3s_3p(3Po)3d_2Do[5/2]</td>\n",
" <td>6.0</td>\n",
" <td>108820.600000</td>\n",
" <td>0.69005</td>\n",
" <td>2.854</td>\n",
" <td>4345.0</td>\n",
" <td>24</td>\n",
" <td>7.023000e+05</td>\n",
" <td>-6.880000e-17</td>\n",
" <td>6.780000e-33</td>\n",
" </tr>\n",
" <tr>\n",
" <th>24</th>\n",
" <td>3s2_6s_2Se[1/2]</td>\n",
" <td>2.0</td>\n",
" <td>111184.460000</td>\n",
" <td>0.61918</td>\n",
" <td>2.561</td>\n",
" <td>4842.0</td>\n",
" <td>25</td>\n",
" <td>2.222000e+08</td>\n",
" <td>-3.090000e-14</td>\n",
" <td>1.910000e-31</td>\n",
" </tr>\n",
" <tr>\n",
" <th>25</th>\n",
" <td>3s2_5d_2De[3/2]</td>\n",
" <td>4.0</td>\n",
" <td>112394.560000</td>\n",
" <td>0.58290</td>\n",
" <td>2.411</td>\n",
" <td>5143.0</td>\n",
" <td>26</td>\n",
" <td>2.210000e+08</td>\n",
" <td>-5.160000e-14</td>\n",
" <td>1.650000e-31</td>\n",
" </tr>\n",
" <tr>\n",
" <th>26</th>\n",
" <td>3s2_5d_2De[5/2]</td>\n",
" <td>6.0</td>\n",
" <td>112394.720000</td>\n",
" <td>0.58290</td>\n",
" <td>2.411</td>\n",
" <td>5143.0</td>\n",
" <td>27</td>\n",
" <td>2.195000e+08</td>\n",
" <td>-5.150000e-14</td>\n",
" <td>1.650000e-31</td>\n",
" </tr>\n",
" <tr>\n",
" <th>27</th>\n",
" <td>3s2_5f_2Fo[7/2]</td>\n",
" <td>8.0</td>\n",
" <td>113760.150000</td>\n",
" <td>0.54196</td>\n",
" <td>2.241</td>\n",
" <td>5532.0</td>\n",
" <td>28</td>\n",
" <td>1.945000e+08</td>\n",
" <td>-4.730000e-14</td>\n",
" <td>1.700000e-31</td>\n",
" </tr>\n",
" <tr>\n",
" <th>28</th>\n",
" <td>3s2_5f_2Fo[5/2]</td>\n",
" <td>6.0</td>\n",
" <td>113760.320000</td>\n",
" <td>0.54196</td>\n",
" <td>2.241</td>\n",
" <td>5532.0</td>\n",
" <td>29</td>\n",
" <td>1.945000e+08</td>\n",
" <td>-4.740000e-14</td>\n",
" <td>1.700000e-31</td>\n",
" </tr>\n",
" <tr>\n",
" <th>29</th>\n",
" <td>3s2_6p_2Po[1/2]</td>\n",
" <td>2.0</td>\n",
" <td>113962.080000</td>\n",
" <td>0.53591</td>\n",
" <td>2.216</td>\n",
" <td>5594.0</td>\n",
" <td>30</td>\n",
" <td>6.115000e+07</td>\n",
" <td>2.530000e-14</td>\n",
" <td>2.300000e-31</td>\n",
" </tr>\n",
" <tr>\n",
" <th>...</th>\n",
" <td>...</td>\n",
" <td>...</td>\n",
" <td>...</td>\n",
" <td>...</td>\n",
" <td>...</td>\n",
" <td>...</td>\n",
" <td>...</td>\n",
" <td>...</td>\n",
" <td>...</td>\n",
" <td>...</td>\n",
" </tr>\n",
" <tr>\n",
" <th>127</th>\n",
" <td>3s2_15w_2W</td>\n",
" <td>450.0</td>\n",
" <td>129887.292486</td>\n",
" <td>0.05848</td>\n",
" <td>0.242</td>\n",
" <td>51260.0</td>\n",
" <td>-128</td>\n",
" <td>1.266000e+06</td>\n",
" <td>0.000000e+00</td>\n",
" <td>0.000000e+00</td>\n",
" </tr>\n",
" <tr>\n",
" <th>128</th>\n",
" <td>3s2_16w_2W</td>\n",
" <td>512.0</td>\n",
" <td>130123.527928</td>\n",
" <td>0.05140</td>\n",
" <td>0.213</td>\n",
" <td>58320.0</td>\n",
" <td>-129</td>\n",
" <td>9.354000e+05</td>\n",
" <td>0.000000e+00</td>\n",
" <td>0.000000e+00</td>\n",
" </tr>\n",
" <tr>\n",
" <th>129</th>\n",
" <td>3s2_17w_2W</td>\n",
" <td>578.0</td>\n",
" <td>130319.314081</td>\n",
" <td>0.04553</td>\n",
" <td>0.188</td>\n",
" <td>65840.0</td>\n",
" <td>-130</td>\n",
" <td>7.043000e+05</td>\n",
" <td>0.000000e+00</td>\n",
" <td>0.000000e+00</td>\n",
" </tr>\n",
" <tr>\n",
" <th>130</th>\n",
" <td>3s2_18w_2W</td>\n",
" <td>648.0</td>\n",
" <td>130483.384782</td>\n",
" <td>0.04061</td>\n",
" <td>0.168</td>\n",
" <td>73810.0</td>\n",
" <td>-131</td>\n",
" <td>5.391000e+05</td>\n",
" <td>0.000000e+00</td>\n",
" <td>0.000000e+00</td>\n",
" </tr>\n",
" <tr>\n",
" <th>131</th>\n",
" <td>3s2_19w_2W</td>\n",
" <td>722.0</td>\n",
" <td>130622.237810</td>\n",
" <td>0.03645</td>\n",
" <td>0.151</td>\n",
" <td>82240.0</td>\n",
" <td>-132</td>\n",
" <td>4.187000e+05</td>\n",
" <td>0.000000e+00</td>\n",
" <td>0.000000e+00</td>\n",
" </tr>\n",
" <tr>\n",
" <th>132</th>\n",
" <td>3s2_20w_2W</td>\n",
" <td>800.0</td>\n",
" <td>130740.788274</td>\n",
" <td>0.03290</td>\n",
" <td>0.136</td>\n",
" <td>91130.0</td>\n",
" <td>-133</td>\n",
" <td>3.294000e+05</td>\n",
" <td>0.000000e+00</td>\n",
" <td>0.000000e+00</td>\n",
" </tr>\n",
" <tr>\n",
" <th>133</th>\n",
" <td>3s2_21w_2W</td>\n",
" <td>882.0</td>\n",
" <td>130842.809636</td>\n",
" <td>0.02984</td>\n",
" <td>0.123</td>\n",
" <td>100500.0</td>\n",
" <td>-134</td>\n",
" <td>2.622000e+05</td>\n",
" <td>0.000000e+00</td>\n",
" <td>0.000000e+00</td>\n",
" </tr>\n",
" <tr>\n",
" <th>134</th>\n",
" <td>3s2_22w_2W</td>\n",
" <td>968.0</td>\n",
" <td>130931.237747</td>\n",
" <td>0.02719</td>\n",
" <td>0.112</td>\n",
" <td>110300.0</td>\n",
" <td>-135</td>\n",
" <td>2.109000e+05</td>\n",
" <td>0.000000e+00</td>\n",
" <td>0.000000e+00</td>\n",
" </tr>\n",
" <tr>\n",
" <th>135</th>\n",
" <td>3s2_23w_2W</td>\n",
" <td>1058.0</td>\n",
" <td>131008.384441</td>\n",
" <td>0.02488</td>\n",
" <td>0.103</td>\n",
" <td>120500.0</td>\n",
" <td>-136</td>\n",
" <td>1.713000e+05</td>\n",
" <td>0.000000e+00</td>\n",
" <td>0.000000e+00</td>\n",
" </tr>\n",
" <tr>\n",
" <th>136</th>\n",
" <td>3s2_24w_2W</td>\n",
" <td>1152.0</td>\n",
" <td>131076.090190</td>\n",
" <td>0.02285</td>\n",
" <td>0.094</td>\n",
" <td>131200.0</td>\n",
" <td>-137</td>\n",
" <td>1.404000e+05</td>\n",
" <td>0.000000e+00</td>\n",
" <td>0.000000e+00</td>\n",
" </tr>\n",
" <tr>\n",
" <th>137</th>\n",
" <td>3s2_25w_2W</td>\n",
" <td>1250.0</td>\n",
" <td>131135.834895</td>\n",
" <td>0.02105</td>\n",
" <td>0.087</td>\n",
" <td>142400.0</td>\n",
" <td>-138</td>\n",
" <td>1.160000e+05</td>\n",
" <td>0.000000e+00</td>\n",
" <td>0.000000e+00</td>\n",
" </tr>\n",
" <tr>\n",
" <th>138</th>\n",
" <td>3s2_26w_2W</td>\n",
" <td>1352.0</td>\n",
" <td>131188.819452</td>\n",
" <td>0.01947</td>\n",
" <td>0.081</td>\n",
" <td>154000.0</td>\n",
" <td>-139</td>\n",
" <td>9.650000e+04</td>\n",
" <td>0.000000e+00</td>\n",
" <td>0.000000e+00</td>\n",
" </tr>\n",
" <tr>\n",
" <th>139</th>\n",
" <td>3s2_27w_2W</td>\n",
" <td>1458.0</td>\n",
" <td>131236.026570</td>\n",
" <td>0.01805</td>\n",
" <td>0.075</td>\n",
" <td>166100.0</td>\n",
" <td>-140</td>\n",
" <td>8.085000e+04</td>\n",
" <td>0.000000e+00</td>\n",
" <td>0.000000e+00</td>\n",
" </tr>\n",
" <tr>\n",
" <th>140</th>\n",
" <td>3s2_28w_2W</td>\n",
" <td>1568.0</td>\n",
" <td>131278.266670</td>\n",
" <td>0.01678</td>\n",
" <td>0.069</td>\n",
" <td>178600.0</td>\n",
" <td>-141</td>\n",
" <td>6.817000e+04</td>\n",
" <td>0.000000e+00</td>\n",
" <td>0.000000e+00</td>\n",
" </tr>\n",
" <tr>\n",
" <th>141</th>\n",
" <td>3s2_29w_2W</td>\n",
" <td>1682.0</td>\n",
" <td>131316.212901</td>\n",
" <td>0.01565</td>\n",
" <td>0.065</td>\n",
" <td>191600.0</td>\n",
" <td>-142</td>\n",
" <td>5.782000e+04</td>\n",
" <td>0.000000e+00</td>\n",
" <td>0.000000e+00</td>\n",
" </tr>\n",
" <tr>\n",
" <th>142</th>\n",
" <td>3s2_30w_2W</td>\n",
" <td>1800.0</td>\n",
" <td>131350.428122</td>\n",
" <td>0.01462</td>\n",
" <td>0.060</td>\n",
" <td>205000.0</td>\n",
" <td>-143</td>\n",
" <td>4.931000e+04</td>\n",
" <td>0.000000e+00</td>\n",
" <td>0.000000e+00</td>\n",
" </tr>\n",
" <tr>\n",
" <th>143</th>\n",
" <td>3s_3p(3Po)3d_2Fo[5/2]</td>\n",
" <td>6.0</td>\n",
" <td>131677.100000</td>\n",
" <td>0.00483</td>\n",
" <td>0.020</td>\n",
" <td>621000.0</td>\n",
" <td>144</td>\n",
" <td>1.692000e+09</td>\n",
" <td>-6.070000e-16</td>\n",
" <td>1.460000e-32</td>\n",
" </tr>\n",
" <tr>\n",
" <th>144</th>\n",
" <td>3s_3p(3Po)4p_4De[1/2]</td>\n",
" <td>2.0</td>\n",
" <td>131784.900000</td>\n",
" <td>0.00160</td>\n",
" <td>0.007</td>\n",
" <td>1878000.0</td>\n",
" <td>145</td>\n",
" <td>9.946000e+07</td>\n",
" <td>-1.230000e-16</td>\n",
" <td>2.650000e-32</td>\n",
" </tr>\n",
" <tr>\n",
" <th>145</th>\n",
" <td>3s_3p(3Po)4p_4De[3/2]</td>\n",
" <td>4.0</td>\n",
" <td>131861.930000</td>\n",
" <td>-0.00071</td>\n",
" <td>-0.003</td>\n",
" <td>-4203000.0</td>\n",
" <td>146</td>\n",
" <td>9.981000e+07</td>\n",
" <td>-1.210000e-16</td>\n",
" <td>2.650000e-32</td>\n",
" </tr>\n",
" <tr>\n",
" <th>146</th>\n",
" <td>3s_3p(3Po)3d_2Fo[7/2]</td>\n",
" <td>8.0</td>\n",
" <td>131918.800000</td>\n",
" <td>-0.00242</td>\n",
" <td>-0.010</td>\n",
" <td>-1240000.0</td>\n",
" <td>147</td>\n",
" <td>1.717000e+09</td>\n",
" <td>-6.350000e-16</td>\n",
" <td>1.470000e-32</td>\n",
" </tr>\n",
" <tr>\n",
" <th>147</th>\n",
" <td>3s_3p(3Po)4p_4De[5/2]</td>\n",
" <td>6.0</td>\n",
" <td>131988.050000</td>\n",
" <td>-0.00449</td>\n",
" <td>-0.019</td>\n",
" <td>-667100.0</td>\n",
" <td>148</td>\n",
" <td>1.002000e+08</td>\n",
" <td>-1.180000e-16</td>\n",
" <td>2.650000e-32</td>\n",
" </tr>\n",
" <tr>\n",
" <th>148</th>\n",
" <td>3s_3p(3Po)4p_4De[7/2]</td>\n",
" <td>8.0</td>\n",
" <td>132162.290000</td>\n",
" <td>-0.00972</td>\n",
" <td>-0.040</td>\n",
" <td>-308500.0</td>\n",
" <td>149</td>\n",
" <td>1.008000e+08</td>\n",
" <td>-1.240000e-16</td>\n",
" <td>2.650000e-32</td>\n",
" </tr>\n",
" <tr>\n",
" <th>149</th>\n",
" <td>3s_3p(3Po)4p_2Pe[1/2]</td>\n",
" <td>2.0</td>\n",
" <td>132592.100000</td>\n",
" <td>-0.02260</td>\n",
" <td>-0.093</td>\n",
" <td>-132600.0</td>\n",
" <td>150</td>\n",
" <td>1.063000e+08</td>\n",
" <td>-5.430000e-16</td>\n",
" <td>2.690000e-32</td>\n",
" </tr>\n",
" <tr>\n",
" <th>150</th>\n",
" <td>3s_3p(3Po)4p_2Pe[3/2]</td>\n",
" <td>4.0</td>\n",
" <td>132676.200000</td>\n",
" <td>-0.02512</td>\n",
" <td>-0.104</td>\n",
" <td>-119300.0</td>\n",
" <td>151</td>\n",
" <td>1.060000e+08</td>\n",
" <td>-5.480000e-16</td>\n",
" <td>2.690000e-32</td>\n",
" </tr>\n",
" <tr>\n",
" <th>151</th>\n",
" <td>3s_3p(3Po)4p_4Pe[1/2]</td>\n",
" <td>2.0</td>\n",
" <td>134016.900000</td>\n",
" <td>-0.06532</td>\n",
" <td>-0.270</td>\n",
" <td>-45900.0</td>\n",
" <td>152</td>\n",
" <td>1.161000e+08</td>\n",
" <td>-1.490000e-16</td>\n",
" <td>3.090000e-32</td>\n",
" </tr>\n",
" <tr>\n",
" <th>152</th>\n",
" <td>3s_3p(3Po)4p_4Pe[3/2]</td>\n",
" <td>4.0</td>\n",
" <td>134079.000000</td>\n",
" <td>-0.06718</td>\n",
" <td>-0.278</td>\n",
" <td>-44630.0</td>\n",
" <td>153</td>\n",
" <td>1.159000e+08</td>\n",
" <td>-1.500000e-16</td>\n",
" <td>3.080000e-32</td>\n",
" </tr>\n",
" <tr>\n",
" <th>153</th>\n",
" <td>3s_3p(3Po)4p_4Pe[5/2]</td>\n",
" <td>6.0</td>\n",
" <td>134213.630000</td>\n",
" <td>-0.07122</td>\n",
" <td>-0.295</td>\n",
" <td>-42100.0</td>\n",
" <td>154</td>\n",
" <td>1.167000e+08</td>\n",
" <td>-1.500000e-16</td>\n",
" <td>3.090000e-32</td>\n",
" </tr>\n",
" <tr>\n",
" <th>154</th>\n",
" <td>3s_3p(3Po)4p_4Se[3/2]</td>\n",
" <td>4.0</td>\n",
" <td>134905.280000</td>\n",
" <td>-0.09195</td>\n",
" <td>-0.380</td>\n",
" <td>-32600.0</td>\n",
" <td>155</td>\n",
" <td>9.275000e+07</td>\n",
" <td>-9.750000e-17</td>\n",
" <td>2.770000e-32</td>\n",
" </tr>\n",
" <tr>\n",
" <th>155</th>\n",
" <td>3p3_2Do[5/2]</td>\n",
" <td>6.0</td>\n",
" <td>135297.300000</td>\n",
" <td>-0.10370</td>\n",
" <td>-0.429</td>\n",
" <td>-28910.0</td>\n",
" <td>156</td>\n",
" <td>2.437000e+09</td>\n",
" <td>4.200000e-17</td>\n",
" <td>1.450000e-32</td>\n",
" </tr>\n",
" <tr>\n",
" <th>156</th>\n",
" <td>3p3_2Do[3/2]</td>\n",
" <td>4.0</td>\n",
" <td>135303.500000</td>\n",
" <td>-0.10389</td>\n",
" <td>-0.430</td>\n",
" <td>-28860.0</td>\n",
" <td>157</td>\n",
" <td>2.438000e+09</td>\n",
" <td>1.390000e-17</td>\n",
" <td>1.460000e-32</td>\n",
" </tr>\n",
" </tbody>\n",
"</table>\n",
"<p>157 rows × 10 columns</p>\n",
"</div>"
],
"text/plain": [
" Energy Level g E(cm^-1) 10^15 Hz eV \\\n",
"0 3s2_3p_2Po[1/2] 2.0 0.000000 3.95241 16.346 \n",
"1 3s2_3p_2Po[3/2] 4.0 287.240000 3.94380 16.310 \n",
"2 3s_3p2_4Pe[1/2] 2.0 42824.290000 2.66857 11.036 \n",
"3 3s_3p2_4Pe[3/2] 4.0 42932.620000 2.66532 11.023 \n",
"4 3s_3p2_4Pe[5/2] 6.0 43107.910000 2.66007 11.001 \n",
"5 3s_3p2_2De[3/2] 4.0 55309.350000 2.29428 9.488 \n",
"6 3s_3p2_2De[5/2] 6.0 55325.180000 2.29380 9.486 \n",
"7 3s2_4s_2Se[1/2] 2.0 65500.470000 1.98875 8.225 \n",
"8 3s_3p2_2Se[1/2] 2.0 76665.350000 1.65404 6.841 \n",
"9 3s2_3d_2De[3/2] 4.0 79338.500000 1.57390 6.509 \n",
"10 3s2_3d_2De[5/2] 6.0 79355.020000 1.57340 6.507 \n",
"11 3s2_4p_2Po[1/2] 2.0 81191.340000 1.51835 6.279 \n",
"12 3s2_4p_2Po[3/2] 4.0 81251.320000 1.51655 6.272 \n",
"13 3s_3p2_2Pe[1/2] 2.0 83801.950000 1.44009 5.956 \n",
"14 3s_3p2_2Pe[3/2] 4.0 84004.260000 1.43402 5.931 \n",
"15 3s2_5s_2Se[1/2] 2.0 97972.090000 1.01528 4.199 \n",
"16 3s2_4d_2De[3/2] 4.0 101023.050000 0.92381 3.821 \n",
"17 3s2_4d_2De[5/2] 6.0 101024.350000 0.92377 3.820 \n",
"18 3s2_4f_2Fo[7/2] 8.0 103556.030000 0.84788 3.507 \n",
"19 3s2_4f_2Fo[5/2] 6.0 103556.160000 0.84787 3.507 \n",
"20 3s2_5p_2Po[1/2] 2.0 103860.740000 0.83874 3.469 \n",
"21 3s2_5p_2Po[3/2] 4.0 103885.250000 0.83801 3.466 \n",
"22 3s_3p(3Po)3d_2Do[3/2] 4.0 108778.700000 0.69130 2.859 \n",
"23 3s_3p(3Po)3d_2Do[5/2] 6.0 108820.600000 0.69005 2.854 \n",
"24 3s2_6s_2Se[1/2] 2.0 111184.460000 0.61918 2.561 \n",
"25 3s2_5d_2De[3/2] 4.0 112394.560000 0.58290 2.411 \n",
"26 3s2_5d_2De[5/2] 6.0 112394.720000 0.58290 2.411 \n",
"27 3s2_5f_2Fo[7/2] 8.0 113760.150000 0.54196 2.241 \n",
"28 3s2_5f_2Fo[5/2] 6.0 113760.320000 0.54196 2.241 \n",
"29 3s2_6p_2Po[1/2] 2.0 113962.080000 0.53591 2.216 \n",
".. ... ... ... ... ... \n",
"127 3s2_15w_2W 450.0 129887.292486 0.05848 0.242 \n",
"128 3s2_16w_2W 512.0 130123.527928 0.05140 0.213 \n",
"129 3s2_17w_2W 578.0 130319.314081 0.04553 0.188 \n",
"130 3s2_18w_2W 648.0 130483.384782 0.04061 0.168 \n",
"131 3s2_19w_2W 722.0 130622.237810 0.03645 0.151 \n",
"132 3s2_20w_2W 800.0 130740.788274 0.03290 0.136 \n",
"133 3s2_21w_2W 882.0 130842.809636 0.02984 0.123 \n",
"134 3s2_22w_2W 968.0 130931.237747 0.02719 0.112 \n",
"135 3s2_23w_2W 1058.0 131008.384441 0.02488 0.103 \n",
"136 3s2_24w_2W 1152.0 131076.090190 0.02285 0.094 \n",
"137 3s2_25w_2W 1250.0 131135.834895 0.02105 0.087 \n",
"138 3s2_26w_2W 1352.0 131188.819452 0.01947 0.081 \n",
"139 3s2_27w_2W 1458.0 131236.026570 0.01805 0.075 \n",
"140 3s2_28w_2W 1568.0 131278.266670 0.01678 0.069 \n",
"141 3s2_29w_2W 1682.0 131316.212901 0.01565 0.065 \n",
"142 3s2_30w_2W 1800.0 131350.428122 0.01462 0.060 \n",
"143 3s_3p(3Po)3d_2Fo[5/2] 6.0 131677.100000 0.00483 0.020 \n",
"144 3s_3p(3Po)4p_4De[1/2] 2.0 131784.900000 0.00160 0.007 \n",
"145 3s_3p(3Po)4p_4De[3/2] 4.0 131861.930000 -0.00071 -0.003 \n",
"146 3s_3p(3Po)3d_2Fo[7/2] 8.0 131918.800000 -0.00242 -0.010 \n",
"147 3s_3p(3Po)4p_4De[5/2] 6.0 131988.050000 -0.00449 -0.019 \n",
"148 3s_3p(3Po)4p_4De[7/2] 8.0 132162.290000 -0.00972 -0.040 \n",
"149 3s_3p(3Po)4p_2Pe[1/2] 2.0 132592.100000 -0.02260 -0.093 \n",
"150 3s_3p(3Po)4p_2Pe[3/2] 4.0 132676.200000 -0.02512 -0.104 \n",
"151 3s_3p(3Po)4p_4Pe[1/2] 2.0 134016.900000 -0.06532 -0.270 \n",
"152 3s_3p(3Po)4p_4Pe[3/2] 4.0 134079.000000 -0.06718 -0.278 \n",
"153 3s_3p(3Po)4p_4Pe[5/2] 6.0 134213.630000 -0.07122 -0.295 \n",
"154 3s_3p(3Po)4p_4Se[3/2] 4.0 134905.280000 -0.09195 -0.380 \n",
"155 3p3_2Do[5/2] 6.0 135297.300000 -0.10370 -0.429 \n",
"156 3p3_2Do[3/2] 4.0 135303.500000 -0.10389 -0.430 \n",
"\n",
" Lam(A) ID ARAD C4 C6 \n",
"0 758.5 1 0.000000e+00 -5.290000e-17 7.470000e-33 \n",
"1 760.2 2 0.000000e+00 -5.300000e-17 7.460000e-33 \n",
"2 1123.0 3 1.222000e+04 -5.340000e-17 7.490000e-33 \n",
"3 1125.0 4 2.110000e+03 -5.340000e-17 7.490000e-33 \n",
"4 1127.0 5 3.246000e+03 -5.350000e-17 7.490000e-33 \n",
"5 1307.0 6 8.386000e+05 -6.480000e-17 7.660000e-33 \n",
"6 1307.0 7 7.986000e+05 -6.480000e-17 7.660000e-33 \n",
"7 1507.0 8 1.087000e+09 -6.790000e-16 2.030000e-32 \n",
"8 1812.0 9 1.111000e+09 -9.140000e-17 1.130000e-32 \n",
"9 1905.0 10 3.597000e+09 -1.210000e-15 1.600000e-32 \n",
"10 1905.0 11 3.565000e+09 -1.200000e-15 1.600000e-32 \n",
"11 1974.0 12 1.193000e+08 1.540000e-15 2.900000e-32 \n",
"12 1977.0 13 1.204000e+08 1.490000e-15 2.900000e-32 \n",
"13 2082.0 14 4.245000e+09 -7.640000e-17 1.390000e-32 \n",
"14 2091.0 15 4.256000e+09 -7.640000e-17 1.390000e-32 \n",
"15 2953.0 16 4.281000e+08 -5.930000e-15 7.250000e-32 \n",
"16 3245.0 17 7.767000e+08 -8.970000e-15 5.680000e-32 \n",
"17 3245.0 18 7.704000e+08 -8.950000e-15 5.680000e-32 \n",
"18 3536.0 19 3.413000e+08 2.460000e-15 5.500000e-32 \n",
"19 3536.0 20 3.419000e+08 2.460000e-15 5.500000e-32 \n",
"20 3574.0 21 4.928000e+07 4.060000e-15 9.520000e-32 \n",
"21 3577.0 22 4.926000e+07 4.000000e-15 9.520000e-32 \n",
"22 4337.0 23 7.174000e+05 -6.880000e-17 6.780000e-33 \n",
"23 4345.0 24 7.023000e+05 -6.880000e-17 6.780000e-33 \n",
"24 4842.0 25 2.222000e+08 -3.090000e-14 1.910000e-31 \n",
"25 5143.0 26 2.210000e+08 -5.160000e-14 1.650000e-31 \n",
"26 5143.0 27 2.195000e+08 -5.150000e-14 1.650000e-31 \n",
"27 5532.0 28 1.945000e+08 -4.730000e-14 1.700000e-31 \n",
"28 5532.0 29 1.945000e+08 -4.740000e-14 1.700000e-31 \n",
"29 5594.0 30 6.115000e+07 2.530000e-14 2.300000e-31 \n",
".. ... ... ... ... ... \n",
"127 51260.0 -128 1.266000e+06 0.000000e+00 0.000000e+00 \n",
"128 58320.0 -129 9.354000e+05 0.000000e+00 0.000000e+00 \n",
"129 65840.0 -130 7.043000e+05 0.000000e+00 0.000000e+00 \n",
"130 73810.0 -131 5.391000e+05 0.000000e+00 0.000000e+00 \n",
"131 82240.0 -132 4.187000e+05 0.000000e+00 0.000000e+00 \n",
"132 91130.0 -133 3.294000e+05 0.000000e+00 0.000000e+00 \n",
"133 100500.0 -134 2.622000e+05 0.000000e+00 0.000000e+00 \n",
"134 110300.0 -135 2.109000e+05 0.000000e+00 0.000000e+00 \n",
"135 120500.0 -136 1.713000e+05 0.000000e+00 0.000000e+00 \n",
"136 131200.0 -137 1.404000e+05 0.000000e+00 0.000000e+00 \n",
"137 142400.0 -138 1.160000e+05 0.000000e+00 0.000000e+00 \n",
"138 154000.0 -139 9.650000e+04 0.000000e+00 0.000000e+00 \n",
"139 166100.0 -140 8.085000e+04 0.000000e+00 0.000000e+00 \n",
"140 178600.0 -141 6.817000e+04 0.000000e+00 0.000000e+00 \n",
"141 191600.0 -142 5.782000e+04 0.000000e+00 0.000000e+00 \n",
"142 205000.0 -143 4.931000e+04 0.000000e+00 0.000000e+00 \n",
"143 621000.0 144 1.692000e+09 -6.070000e-16 1.460000e-32 \n",
"144 1878000.0 145 9.946000e+07 -1.230000e-16 2.650000e-32 \n",
"145 -4203000.0 146 9.981000e+07 -1.210000e-16 2.650000e-32 \n",
"146 -1240000.0 147 1.717000e+09 -6.350000e-16 1.470000e-32 \n",
"147 -667100.0 148 1.002000e+08 -1.180000e-16 2.650000e-32 \n",
"148 -308500.0 149 1.008000e+08 -1.240000e-16 2.650000e-32 \n",
"149 -132600.0 150 1.063000e+08 -5.430000e-16 2.690000e-32 \n",
"150 -119300.0 151 1.060000e+08 -5.480000e-16 2.690000e-32 \n",
"151 -45900.0 152 1.161000e+08 -1.490000e-16 3.090000e-32 \n",
"152 -44630.0 153 1.159000e+08 -1.500000e-16 3.080000e-32 \n",
"153 -42100.0 154 1.167000e+08 -1.500000e-16 3.090000e-32 \n",
"154 -32600.0 155 9.275000e+07 -9.750000e-17 2.770000e-32 \n",
"155 -28910.0 156 2.437000e+09 4.200000e-17 1.450000e-32 \n",
"156 -28860.0 157 2.438000e+09 1.390000e-17 1.460000e-32 \n",
"\n",
"[157 rows x 10 columns]"
]
},
"execution_count": 4,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"file = './CMFGEN/atomic/SIL/II/16sep15/si2_osc_kurucz'\n",
"\n",
"args = {}\n",
"args['header'] = None\n",
"args['delim_whitespace'] = True\n",
"\n",
"# Search the total number of energy levels in header\n",
"args['nrows'] = search_header(file, \"Number of energy levels\")\n",
"\n",
"# Search the first energy level = 0.000\n",
"args['skiprows'] = find_row(file, \"0.000\")\n",
"\n",
"energy_levels = pd.read_csv(file, **args)\n",
"energy_levels.columns = ['Energy Level', 'g', 'E(cm^-1)', '10^15 Hz', 'eV', 'Lam(A)', 'ID', 'ARAD', 'C4', 'C6']\n",
"energy_levels"
]
},
{
"cell_type": "code",
"execution_count": 5,
"metadata": {},
"outputs": [
{
"data": {
"text/html": [
"<div>\n",
"<style scoped>\n",
" .dataframe tbody tr th:only-of-type {\n",
" vertical-align: middle;\n",
" }\n",
"\n",
" .dataframe tbody tr th {\n",
" vertical-align: top;\n",
" }\n",
"\n",
" .dataframe thead th {\n",
" text-align: right;\n",
" }\n",
"</style>\n",
"<table border=\"1\" class=\"dataframe\">\n",
" <thead>\n",
" <tr style=\"text-align: right;\">\n",
" <th></th>\n",
" <th>Null values</th>\n",
" </tr>\n",
" </thead>\n",
" <tbody>\n",
" <tr>\n",
" <th>Energy Level</th>\n",
" <td>0</td>\n",
" </tr>\n",
" <tr>\n",
" <th>g</th>\n",
" <td>0</td>\n",
" </tr>\n",
" <tr>\n",
" <th>E(cm^-1)</th>\n",
" <td>0</td>\n",
" </tr>\n",
" <tr>\n",
" <th>10^15 Hz</th>\n",
" <td>0</td>\n",
" </tr>\n",
" <tr>\n",
" <th>eV</th>\n",
" <td>0</td>\n",
" </tr>\n",
" <tr>\n",
" <th>Lam(A)</th>\n",
" <td>0</td>\n",
" </tr>\n",
" <tr>\n",
" <th>ID</th>\n",
" <td>0</td>\n",
" </tr>\n",
" <tr>\n",
" <th>ARAD</th>\n",
" <td>0</td>\n",
" </tr>\n",
" <tr>\n",
" <th>C4</th>\n",
" <td>0</td>\n",
" </tr>\n",
" <tr>\n",
" <th>C6</th>\n",
" <td>0</td>\n",
" </tr>\n",
" </tbody>\n",
"</table>\n",
"</div>"
],
"text/plain": [
" Null values\n",
"Energy Level 0\n",
"g 0\n",
"E(cm^-1) 0\n",
"10^15 Hz 0\n",
"eV 0\n",
"Lam(A) 0\n",
"ID 0\n",
"ARAD 0\n",
"C4 0\n",
"C6 0"
]
},
"execution_count": 5,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"# No null values in the table, seems OK.\n",
"nulls = pd.DataFrame(energy_levels.isnull().sum(), columns=['Null values'])\n",
"nulls"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"## Now read the second table"
]
},
{
"cell_type": "code",
"execution_count": 6,
"metadata": {},
"outputs": [
{
"data": {
"text/html": [
"<div>\n",
"<style scoped>\n",
" .dataframe tbody tr th:only-of-type {\n",
" vertical-align: middle;\n",
" }\n",
"\n",
" .dataframe tbody tr th {\n",
" vertical-align: top;\n",
" }\n",
"\n",
" .dataframe thead th {\n",
" text-align: right;\n",
" }\n",
"</style>\n",
"<table border=\"1\" class=\"dataframe\">\n",
" <thead>\n",
" <tr style=\"text-align: right;\">\n",
" <th></th>\n",
" <th>0</th>\n",
" <th>1</th>\n",
" <th>2</th>\n",
" <th>3</th>\n",
" <th>4</th>\n",
" <th>5</th>\n",
" <th>6</th>\n",
" <th>7</th>\n",
" <th>8</th>\n",
" <th>9</th>\n",
" </tr>\n",
" </thead>\n",
" <tbody>\n",
" <tr>\n",
" <th>0</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>-3s_3p2_4Pe[1/2]</td>\n",
" <td>5.741000e-06</td>\n",
" <td>7.023000e+03</td>\n",
" <td>2335.123</td>\n",
" <td>1-</td>\n",
" <td>3</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" </tr>\n",
" <tr>\n",
" <th>1</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>-3s_3p2_4Pe[3/2]</td>\n",
" <td>3.564000e-08</td>\n",
" <td>2.191000e+01</td>\n",
" <td>2329.231</td>\n",
" <td>1-</td>\n",
" <td>4</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" </tr>\n",
" <tr>\n",
" <th>2</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>-3s_3p2_2De[3/2]</td>\n",
" <td>7.638000e-04</td>\n",
" <td>7.793000e+05</td>\n",
" <td>1808.013</td>\n",
" <td>1-</td>\n",
" <td>6</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" </tr>\n",
" <tr>\n",
" <th>3</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>-3s2_4s_2Se[1/2]</td>\n",
" <td>1.279000e-01</td>\n",
" <td>3.661000e+08</td>\n",
" <td>1526.707</td>\n",
" <td>1-</td>\n",
" <td>8</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>-3s_3p2_2Se[1/2]</td>\n",
" <td>1.062000e-01</td>\n",
" <td>4.162000e+08</td>\n",
" <td>1304.370</td>\n",
" <td>1-</td>\n",
" <td>9</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" </tr>\n",
" <tr>\n",
" <th>5</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>-3s2_3d_2De[3/2]</td>\n",
" <td>1.449000e+00</td>\n",
" <td>3.041000e+09</td>\n",
" <td>1260.422</td>\n",
" <td>1-</td>\n",
" <td>10</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" </tr>\n",
" <tr>\n",
" <th>6</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>-3s_3p2_2Pe[1/2]</td>\n",
" <td>5.942000e-01</td>\n",
" <td>2.784000e+09</td>\n",
" <td>1193.290</td>\n",
" <td>1-</td>\n",
" <td>14</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" </tr>\n",
" <tr>\n",
" <th>7</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>-3s_3p2_2Pe[3/2]</td>\n",
" <td>2.844000e-01</td>\n",
" <td>6.694000e+08</td>\n",
" <td>1190.416</td>\n",
" <td>1-</td>\n",
" <td>15</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" </tr>\n",
" <tr>\n",
" <th>8</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>-3s2_5s_2Se[1/2]</td>\n",
" <td>1.603000e-02</td>\n",
" <td>1.026000e+08</td>\n",
" <td>1020.699</td>\n",
" <td>1-</td>\n",
" <td>16</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" </tr>\n",
" <tr>\n",
" <th>9</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>-3s2_4d_2De[3/2]</td>\n",
" <td>1.469000e-01</td>\n",
" <td>4.999000e+08</td>\n",
" <td>989.873</td>\n",
" <td>1-</td>\n",
" <td>17</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" </tr>\n",
" <tr>\n",
" <th>10</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>-3s2_6s_2Se[1/2]</td>\n",
" <td>5.636000e-03</td>\n",
" <td>4.647000e+07</td>\n",
" <td>899.406</td>\n",
" <td>1-</td>\n",
" <td>25</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" </tr>\n",
" <tr>\n",
" <th>11</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>-3s2_5d_2De[3/2]</td>\n",
" <td>2.667000e-02</td>\n",
" <td>1.124000e+08</td>\n",
" <td>889.723</td>\n",
" <td>1-</td>\n",
" <td>26</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" </tr>\n",
" <tr>\n",
" <th>12</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>-3s2_7s_2Se[1/2]</td>\n",
" <td>2.661000e-03</td>\n",
" <td>2.467000e+07</td>\n",
" <td>848.070</td>\n",
" <td>1-</td>\n",
" <td>41</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" </tr>\n",
" <tr>\n",
" <th>13</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>-3s2_6d_2De[3/2]</td>\n",
" <td>8.222000e-03</td>\n",
" <td>3.852000e+07</td>\n",
" <td>843.719</td>\n",
" <td>1-</td>\n",
" <td>42</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" </tr>\n",
" <tr>\n",
" <th>14</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>-3s2_8s_2Se[1/2]</td>\n",
" <td>1.472000e-03</td>\n",
" <td>1.457000e+07</td>\n",
" <td>820.921</td>\n",
" <td>1-</td>\n",
" <td>54</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" </tr>\n",
" <tr>\n",
" <th>15</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>-3s2_7d_2De[3/2]</td>\n",
" <td>3.412000e-03</td>\n",
" <td>1.698000e+07</td>\n",
" <td>818.575</td>\n",
" <td>1-</td>\n",
" <td>55</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" </tr>\n",
" <tr>\n",
" <th>16</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>-3s2_9s_2Se[1/2]</td>\n",
" <td>8.994000e-04</td>\n",
" <td>9.266000e+06</td>\n",
" <td>804.656</td>\n",
" <td>1-</td>\n",
" <td>68</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" </tr>\n",
" <tr>\n",
" <th>17</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>-3s2_8d_2De[3/2]</td>\n",
" <td>1.690000e-03</td>\n",
" <td>8.737000e+06</td>\n",
" <td>803.241</td>\n",
" <td>1-</td>\n",
" <td>74</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" </tr>\n",
" <tr>\n",
" <th>18</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>-3s2_10s_2Se[1/2]</td>\n",
" <td>5.861000e-04</td>\n",
" <td>6.196000e+06</td>\n",
" <td>794.358</td>\n",
" <td>1-</td>\n",
" <td>89</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" </tr>\n",
" <tr>\n",
" <th>19</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>-3s2_9d_2De[3/2]</td>\n",
" <td>9.375000e-04</td>\n",
" <td>4.967000e+06</td>\n",
" <td>793.416</td>\n",
" <td>1-</td>\n",
" <td>90</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" </tr>\n",
" <tr>\n",
" <th>20</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>-3s2_11s_2Se[1/2]</td>\n",
" <td>3.981000e-04</td>\n",
" <td>4.286000e+06</td>\n",
" <td>787.073</td>\n",
" <td>1-</td>\n",
" <td>105</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" </tr>\n",
" <tr>\n",
" <th>21</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>-3s2_10d_2De[3/2]</td>\n",
" <td>5.508000e-04</td>\n",
" <td>2.970000e+06</td>\n",
" <td>786.423</td>\n",
" <td>1-</td>\n",
" <td>106</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" </tr>\n",
" <tr>\n",
" <th>22</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>-3s2_11d_2De</td>\n",
" <td>3.945000e-04</td>\n",
" <td>8.623000e+05</td>\n",
" <td>-781.224</td>\n",
" <td>1-</td>\n",
" <td>117</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" </tr>\n",
" <tr>\n",
" <th>23</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>-3s2_12w_2W</td>\n",
" <td>5.902000e-04</td>\n",
" <td>4.535000e+04</td>\n",
" <td>-776.458</td>\n",
" <td>1-</td>\n",
" <td>125</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" </tr>\n",
" <tr>\n",
" <th>24</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>-3s2_13w_2W</td>\n",
" <td>4.507000e-04</td>\n",
" <td>2.971000e+04</td>\n",
" <td>-773.749</td>\n",
" <td>1-</td>\n",
" <td>126</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" </tr>\n",
" <tr>\n",
" <th>25</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>-3s2_14w_2W</td>\n",
" <td>3.526000e-04</td>\n",
" <td>2.015000e+04</td>\n",
" <td>-771.613</td>\n",
" <td>1-</td>\n",
" <td>127</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" </tr>\n",
" <tr>\n",
" <th>26</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>-3s2_15w_2W</td>\n",
" <td>2.814000e-04</td>\n",
" <td>1.407000e+04</td>\n",
" <td>-769.898</td>\n",
" <td>1-</td>\n",
" <td>128</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" </tr>\n",
" <tr>\n",
" <th>27</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>-3s2_16w_2W</td>\n",
" <td>2.283000e-04</td>\n",
" <td>1.007000e+04</td>\n",
" <td>-768.501</td>\n",
" <td>1-</td>\n",
" <td>129</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" </tr>\n",
" <tr>\n",
" <th>28</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>-3s2_17w_2W</td>\n",
" <td>1.880000e-04</td>\n",
" <td>7.369000e+03</td>\n",
" <td>-767.346</td>\n",
" <td>1-</td>\n",
" <td>130</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" </tr>\n",
" <tr>\n",
" <th>29</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>-3s2_18w_2W</td>\n",
" <td>1.567000e-04</td>\n",
" <td>5.493000e+03</td>\n",
" <td>-766.381</td>\n",
" <td>1-</td>\n",
" <td>131</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" </tr>\n",
" <tr>\n",
" <th>...</th>\n",
" <td>...</td>\n",
" <td>...</td>\n",
" <td>...</td>\n",
" <td>...</td>\n",
" <td>...</td>\n",
" <td>...</td>\n",
" <td>...</td>\n",
" <td>...</td>\n",
" <td>...</td>\n",
" <td>...</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4166</th>\n",
" <td>3s2_27w_2W</td>\n",
" <td>-3s2_30w_2W</td>\n",
" <td>2.551000e-01</td>\n",
" <td>1.804000e+03</td>\n",
" <td>-8.741E+05</td>\n",
" <td>140-</td>\n",
" <td>143</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4167</th>\n",
" <td>3s2_28w_2W</td>\n",
" <td>-3s2_29w_2W</td>\n",
" <td>5.627000e+00</td>\n",
" <td>5.038000e+03</td>\n",
" <td>-2.635E+06</td>\n",
" <td>141-</td>\n",
" <td>142</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4168</th>\n",
" <td>3s2_28w_2W</td>\n",
" <td>-3s2_30w_2W</td>\n",
" <td>8.159000e-01</td>\n",
" <td>2.469000e+03</td>\n",
" <td>-1.386E+06</td>\n",
" <td>141-</td>\n",
" <td>143</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4169</th>\n",
" <td>3s2_29w_2W</td>\n",
" <td>-3s2_30w_2W</td>\n",
" <td>5.817000e+00</td>\n",
" <td>4.245000e+03</td>\n",
" <td>-2.923E+06</td>\n",
" <td>142-</td>\n",
" <td>143</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4170</th>\n",
" <td>3s_3p(3Po)3d_2Fo[5/2]-3s_3p(3Po)4p_4De[3/2]</td>\n",
" <td>6.681E-08</td>\n",
" <td>2.284000e-03</td>\n",
" <td>5.410000e+05</td>\n",
" <td>144-</td>\n",
" <td>146</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4171</th>\n",
" <td>3s_3p(3Po)3d_2Fo[5/2]-3s_3p(3Po)4p_4De[5/2]</td>\n",
" <td>3.952E-08</td>\n",
" <td>2.549000e-03</td>\n",
" <td>3.216000e+05</td>\n",
" <td>144-</td>\n",
" <td>148</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4172</th>\n",
" <td>3s_3p(3Po)3d_2Fo[5/2]-3s_3p(3Po)4p_4De[7/2]</td>\n",
" <td>4.930E-10</td>\n",
" <td>5.806000e-05</td>\n",
" <td>2.061000e+05</td>\n",
" <td>144-</td>\n",
" <td>149</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4173</th>\n",
" <td>3s_3p(3Po)3d_2Fo[5/2]-3s_3p(3Po)4p_2Pe[3/2]</td>\n",
" <td>1.402E-05</td>\n",
" <td>1.401000e+01</td>\n",
" <td>1.001000e+05</td>\n",
" <td>144-</td>\n",
" <td>151</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4174</th>\n",
" <td>3s_3p(3Po)3d_2Fo[5/2]-3s_3p(3Po)4p_4Pe[3/2]</td>\n",
" <td>1.462E-06</td>\n",
" <td>8.437000e+00</td>\n",
" <td>4.163371e+04</td>\n",
" <td>144-</td>\n",
" <td>153</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4175</th>\n",
" <td>3s_3p(3Po)3d_2Fo[5/2]-3s_3p(3Po)4p_4Pe[5/2]</td>\n",
" <td>9.882E-07</td>\n",
" <td>4.241000e+00</td>\n",
" <td>3.942394e+04</td>\n",
" <td>144-</td>\n",
" <td>154</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4176</th>\n",
" <td>3s_3p(3Po)3d_2Fo[5/2]-3s_3p(3Po)4p_4Se[3/2]</td>\n",
" <td>5.713E-07</td>\n",
" <td>5.957000e+00</td>\n",
" <td>3.097721e+04</td>\n",
" <td>144-</td>\n",
" <td>155</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4177</th>\n",
" <td>3s_3p(3Po)4p_4De[1/2]-3p3_2Do[3/2]</td>\n",
" <td>6.251E-04</td>\n",
" <td>2.581000e+03</td>\n",
" <td>2.842039e+04</td>\n",
" <td>145-</td>\n",
" <td>157</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4178</th>\n",
" <td>3s_3p(3Po)4p_4De[3/2]-3p3_2Do[5/2]</td>\n",
" <td>2.483E-04</td>\n",
" <td>1.303000e+03</td>\n",
" <td>2.910895e+04</td>\n",
" <td>146-</td>\n",
" <td>156</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4179</th>\n",
" <td>3s_3p(3Po)4p_4De[3/2]-3p3_2Do[3/2]</td>\n",
" <td>2.799E-05</td>\n",
" <td>2.211000e+02</td>\n",
" <td>2.905651e+04</td>\n",
" <td>146-</td>\n",
" <td>157</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4180</th>\n",
" <td>3s_3p(3Po)3d_2Fo[7/2]-3s_3p(3Po)4p_4De[5/2]</td>\n",
" <td>8.911E-08</td>\n",
" <td>3.800000e-04</td>\n",
" <td>1.444000e+06</td>\n",
" <td>147-</td>\n",
" <td>148</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4181</th>\n",
" <td>3s_3p(3Po)3d_2Fo[7/2]-3s_3p(3Po)4p_4De[7/2]</td>\n",
" <td>4.976E-09</td>\n",
" <td>1.968000e-04</td>\n",
" <td>4.107000e+05</td>\n",
" <td>147-</td>\n",
" <td>149</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4182</th>\n",
" <td>3s_3p(3Po)3d_2Fo[7/2]-3s_3p(3Po)4p_4Pe[5/2]</td>\n",
" <td>1.415E-05</td>\n",
" <td>6.630000e+01</td>\n",
" <td>4.357621e+04</td>\n",
" <td>147-</td>\n",
" <td>154</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4183</th>\n",
" <td>3s_3p(3Po)4p_4De[5/2]-3p3_2Do[5/2]</td>\n",
" <td>9.973E-08</td>\n",
" <td>7.285000e-01</td>\n",
" <td>3.021833e+04</td>\n",
" <td>148-</td>\n",
" <td>156</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4184</th>\n",
" <td>3s_3p(3Po)4p_4De[5/2]-3p3_2Do[3/2]</td>\n",
" <td>2.896E-08</td>\n",
" <td>3.185000e-01</td>\n",
" <td>3.016182e+04</td>\n",
" <td>148-</td>\n",
" <td>157</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4185</th>\n",
" <td>3s_3p(3Po)4p_4De[7/2]-3p3_2Do[5/2]</td>\n",
" <td>3.697E-08</td>\n",
" <td>3.232000e-01</td>\n",
" <td>3.189783e+04</td>\n",
" <td>149-</td>\n",
" <td>156</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4186</th>\n",
" <td>3s_3p(3Po)4p_2Pe[1/2]-3p3_2Do[3/2]</td>\n",
" <td>3.396E-02</td>\n",
" <td>8.327000e+04</td>\n",
" <td>3.688132e+04</td>\n",
" <td>150-</td>\n",
" <td>157</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4187</th>\n",
" <td>3s_3p(3Po)4p_2Pe[3/2]-3p3_2Do[5/2]</td>\n",
" <td>2.937E-02</td>\n",
" <td>8.973000e+04</td>\n",
" <td>3.815192e+04</td>\n",
" <td>151-</td>\n",
" <td>156</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4188</th>\n",
" <td>3s_3p(3Po)4p_2Pe[3/2]-3p3_2Do[3/2]</td>\n",
" <td>2.930E-03</td>\n",
" <td>1.349000e+04</td>\n",
" <td>3.806189e+04</td>\n",
" <td>151-</td>\n",
" <td>157</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4189</th>\n",
" <td>3s_3p(3Po)4p_4Pe[1/2]-3p3_2Do[3/2]</td>\n",
" <td>5.520E-06</td>\n",
" <td>3.048000e+00</td>\n",
" <td>7.772423e+04</td>\n",
" <td>152-</td>\n",
" <td>157</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4190</th>\n",
" <td>3s_3p(3Po)4p_4Pe[3/2]-3p3_2Do[5/2]</td>\n",
" <td>2.065E-05</td>\n",
" <td>1.363000e+01</td>\n",
" <td>8.208159e+04</td>\n",
" <td>153-</td>\n",
" <td>156</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4191</th>\n",
" <td>3s_3p(3Po)4p_4Pe[3/2]-3p3_2Do[3/2]</td>\n",
" <td>3.250E-06</td>\n",
" <td>3.251000e+00</td>\n",
" <td>8.166599e+04</td>\n",
" <td>153-</td>\n",
" <td>157</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4192</th>\n",
" <td>3s_3p(3Po)4p_4Pe[5/2]-3p3_2Do[5/2]</td>\n",
" <td>6.605E-07</td>\n",
" <td>5.173000e-01</td>\n",
" <td>9.227901e+04</td>\n",
" <td>154-</td>\n",
" <td>156</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4193</th>\n",
" <td>3s_3p(3Po)4p_4Pe[5/2]-3p3_2Do[3/2]</td>\n",
" <td>4.129E-08</td>\n",
" <td>4.907000e-02</td>\n",
" <td>9.175406e+04</td>\n",
" <td>154-</td>\n",
" <td>157</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4194</th>\n",
" <td>3s_3p(3Po)4p_4Se[3/2]-3p3_2Do[5/2]</td>\n",
" <td>7.673E-06</td>\n",
" <td>5.243000e-01</td>\n",
" <td>2.551000e+05</td>\n",
" <td>155-</td>\n",
" <td>156</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4195</th>\n",
" <td>3s_3p(3Po)4p_4Se[3/2]-3p3_2Do[3/2]</td>\n",
" <td>6.744E-07</td>\n",
" <td>7.134000e-02</td>\n",
" <td>2.511000e+05</td>\n",
" <td>155-</td>\n",
" <td>157</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" </tbody>\n",
"</table>\n",
"<p>4196 rows × 10 columns</p>\n",
"</div>"
],
"text/plain": [
" 0 1 \\\n",
"0 3s2_3p_2Po[1/2] -3s_3p2_4Pe[1/2] \n",
"1 3s2_3p_2Po[1/2] -3s_3p2_4Pe[3/2] \n",
"2 3s2_3p_2Po[1/2] -3s_3p2_2De[3/2] \n",
"3 3s2_3p_2Po[1/2] -3s2_4s_2Se[1/2] \n",
"4 3s2_3p_2Po[1/2] -3s_3p2_2Se[1/2] \n",
"5 3s2_3p_2Po[1/2] -3s2_3d_2De[3/2] \n",
"6 3s2_3p_2Po[1/2] -3s_3p2_2Pe[1/2] \n",
"7 3s2_3p_2Po[1/2] -3s_3p2_2Pe[3/2] \n",
"8 3s2_3p_2Po[1/2] -3s2_5s_2Se[1/2] \n",
"9 3s2_3p_2Po[1/2] -3s2_4d_2De[3/2] \n",
"10 3s2_3p_2Po[1/2] -3s2_6s_2Se[1/2] \n",
"11 3s2_3p_2Po[1/2] -3s2_5d_2De[3/2] \n",
"12 3s2_3p_2Po[1/2] -3s2_7s_2Se[1/2] \n",
"13 3s2_3p_2Po[1/2] -3s2_6d_2De[3/2] \n",
"14 3s2_3p_2Po[1/2] -3s2_8s_2Se[1/2] \n",
"15 3s2_3p_2Po[1/2] -3s2_7d_2De[3/2] \n",
"16 3s2_3p_2Po[1/2] -3s2_9s_2Se[1/2] \n",
"17 3s2_3p_2Po[1/2] -3s2_8d_2De[3/2] \n",
"18 3s2_3p_2Po[1/2] -3s2_10s_2Se[1/2] \n",
"19 3s2_3p_2Po[1/2] -3s2_9d_2De[3/2] \n",
"20 3s2_3p_2Po[1/2] -3s2_11s_2Se[1/2] \n",
"21 3s2_3p_2Po[1/2] -3s2_10d_2De[3/2] \n",
"22 3s2_3p_2Po[1/2] -3s2_11d_2De \n",
"23 3s2_3p_2Po[1/2] -3s2_12w_2W \n",
"24 3s2_3p_2Po[1/2] -3s2_13w_2W \n",
"25 3s2_3p_2Po[1/2] -3s2_14w_2W \n",
"26 3s2_3p_2Po[1/2] -3s2_15w_2W \n",
"27 3s2_3p_2Po[1/2] -3s2_16w_2W \n",
"28 3s2_3p_2Po[1/2] -3s2_17w_2W \n",
"29 3s2_3p_2Po[1/2] -3s2_18w_2W \n",
"... ... ... \n",
"4166 3s2_27w_2W -3s2_30w_2W \n",
"4167 3s2_28w_2W -3s2_29w_2W \n",
"4168 3s2_28w_2W -3s2_30w_2W \n",
"4169 3s2_29w_2W -3s2_30w_2W \n",
"4170 3s_3p(3Po)3d_2Fo[5/2]-3s_3p(3Po)4p_4De[3/2] 6.681E-08 \n",
"4171 3s_3p(3Po)3d_2Fo[5/2]-3s_3p(3Po)4p_4De[5/2] 3.952E-08 \n",
"4172 3s_3p(3Po)3d_2Fo[5/2]-3s_3p(3Po)4p_4De[7/2] 4.930E-10 \n",
"4173 3s_3p(3Po)3d_2Fo[5/2]-3s_3p(3Po)4p_2Pe[3/2] 1.402E-05 \n",
"4174 3s_3p(3Po)3d_2Fo[5/2]-3s_3p(3Po)4p_4Pe[3/2] 1.462E-06 \n",
"4175 3s_3p(3Po)3d_2Fo[5/2]-3s_3p(3Po)4p_4Pe[5/2] 9.882E-07 \n",
"4176 3s_3p(3Po)3d_2Fo[5/2]-3s_3p(3Po)4p_4Se[3/2] 5.713E-07 \n",
"4177 3s_3p(3Po)4p_4De[1/2]-3p3_2Do[3/2] 6.251E-04 \n",
"4178 3s_3p(3Po)4p_4De[3/2]-3p3_2Do[5/2] 2.483E-04 \n",
"4179 3s_3p(3Po)4p_4De[3/2]-3p3_2Do[3/2] 2.799E-05 \n",
"4180 3s_3p(3Po)3d_2Fo[7/2]-3s_3p(3Po)4p_4De[5/2] 8.911E-08 \n",
"4181 3s_3p(3Po)3d_2Fo[7/2]-3s_3p(3Po)4p_4De[7/2] 4.976E-09 \n",
"4182 3s_3p(3Po)3d_2Fo[7/2]-3s_3p(3Po)4p_4Pe[5/2] 1.415E-05 \n",
"4183 3s_3p(3Po)4p_4De[5/2]-3p3_2Do[5/2] 9.973E-08 \n",
"4184 3s_3p(3Po)4p_4De[5/2]-3p3_2Do[3/2] 2.896E-08 \n",
"4185 3s_3p(3Po)4p_4De[7/2]-3p3_2Do[5/2] 3.697E-08 \n",
"4186 3s_3p(3Po)4p_2Pe[1/2]-3p3_2Do[3/2] 3.396E-02 \n",
"4187 3s_3p(3Po)4p_2Pe[3/2]-3p3_2Do[5/2] 2.937E-02 \n",
"4188 3s_3p(3Po)4p_2Pe[3/2]-3p3_2Do[3/2] 2.930E-03 \n",
"4189 3s_3p(3Po)4p_4Pe[1/2]-3p3_2Do[3/2] 5.520E-06 \n",
"4190 3s_3p(3Po)4p_4Pe[3/2]-3p3_2Do[5/2] 2.065E-05 \n",
"4191 3s_3p(3Po)4p_4Pe[3/2]-3p3_2Do[3/2] 3.250E-06 \n",
"4192 3s_3p(3Po)4p_4Pe[5/2]-3p3_2Do[5/2] 6.605E-07 \n",
"4193 3s_3p(3Po)4p_4Pe[5/2]-3p3_2Do[3/2] 4.129E-08 \n",
"4194 3s_3p(3Po)4p_4Se[3/2]-3p3_2Do[5/2] 7.673E-06 \n",
"4195 3s_3p(3Po)4p_4Se[3/2]-3p3_2Do[3/2] 6.744E-07 \n",
"\n",
" 2 3 4 5 6 7 8 9 \n",
"0 5.741000e-06 7.023000e+03 2335.123 1- 3 | | | \n",
"1 3.564000e-08 2.191000e+01 2329.231 1- 4 | | | \n",
"2 7.638000e-04 7.793000e+05 1808.013 1- 6 | | | \n",
"3 1.279000e-01 3.661000e+08 1526.707 1- 8 | | | \n",
"4 1.062000e-01 4.162000e+08 1304.370 1- 9 | | | \n",
"5 1.449000e+00 3.041000e+09 1260.422 1- 10 | | | \n",
"6 5.942000e-01 2.784000e+09 1193.290 1- 14 | | | \n",
"7 2.844000e-01 6.694000e+08 1190.416 1- 15 | | | \n",
"8 1.603000e-02 1.026000e+08 1020.699 1- 16 | | | \n",
"9 1.469000e-01 4.999000e+08 989.873 1- 17 | | | \n",
"10 5.636000e-03 4.647000e+07 899.406 1- 25 | | | \n",
"11 2.667000e-02 1.124000e+08 889.723 1- 26 | | | \n",
"12 2.661000e-03 2.467000e+07 848.070 1- 41 | | | \n",
"13 8.222000e-03 3.852000e+07 843.719 1- 42 | | | \n",
"14 1.472000e-03 1.457000e+07 820.921 1- 54 | | | \n",
"15 3.412000e-03 1.698000e+07 818.575 1- 55 | | | \n",
"16 8.994000e-04 9.266000e+06 804.656 1- 68 | | | \n",
"17 1.690000e-03 8.737000e+06 803.241 1- 74 | | | \n",
"18 5.861000e-04 6.196000e+06 794.358 1- 89 | | | \n",
"19 9.375000e-04 4.967000e+06 793.416 1- 90 | | | \n",
"20 3.981000e-04 4.286000e+06 787.073 1- 105 | | | \n",
"21 5.508000e-04 2.970000e+06 786.423 1- 106 | | | \n",
"22 3.945000e-04 8.623000e+05 -781.224 1- 117 | | | \n",
"23 5.902000e-04 4.535000e+04 -776.458 1- 125 | | | \n",
"24 4.507000e-04 2.971000e+04 -773.749 1- 126 | | | \n",
"25 3.526000e-04 2.015000e+04 -771.613 1- 127 | | | \n",
"26 2.814000e-04 1.407000e+04 -769.898 1- 128 | | | \n",
"27 2.283000e-04 1.007000e+04 -768.501 1- 129 | | | \n",
"28 1.880000e-04 7.369000e+03 -767.346 1- 130 | | | \n",
"29 1.567000e-04 5.493000e+03 -766.381 1- 131 | | | \n",
"... ... ... ... ... ... .. .. ... \n",
"4166 2.551000e-01 1.804000e+03 -8.741E+05 140- 143 | | | \n",
"4167 5.627000e+00 5.038000e+03 -2.635E+06 141- 142 | | | \n",
"4168 8.159000e-01 2.469000e+03 -1.386E+06 141- 143 | | | \n",
"4169 5.817000e+00 4.245000e+03 -2.923E+06 142- 143 | | | \n",
"4170 2.284000e-03 5.410000e+05 144- 146 | | | NaN \n",
"4171 2.549000e-03 3.216000e+05 144- 148 | | | NaN \n",
"4172 5.806000e-05 2.061000e+05 144- 149 | | | NaN \n",
"4173 1.401000e+01 1.001000e+05 144- 151 | | | NaN \n",
"4174 8.437000e+00 4.163371e+04 144- 153 | | | NaN \n",
"4175 4.241000e+00 3.942394e+04 144- 154 | | | NaN \n",
"4176 5.957000e+00 3.097721e+04 144- 155 | | | NaN \n",
"4177 2.581000e+03 2.842039e+04 145- 157 | | | NaN \n",
"4178 1.303000e+03 2.910895e+04 146- 156 | | | NaN \n",
"4179 2.211000e+02 2.905651e+04 146- 157 | | | NaN \n",
"4180 3.800000e-04 1.444000e+06 147- 148 | | | NaN \n",
"4181 1.968000e-04 4.107000e+05 147- 149 | | | NaN \n",
"4182 6.630000e+01 4.357621e+04 147- 154 | | | NaN \n",
"4183 7.285000e-01 3.021833e+04 148- 156 | | | NaN \n",
"4184 3.185000e-01 3.016182e+04 148- 157 | | | NaN \n",
"4185 3.232000e-01 3.189783e+04 149- 156 | | | NaN \n",
"4186 8.327000e+04 3.688132e+04 150- 157 | | | NaN \n",
"4187 8.973000e+04 3.815192e+04 151- 156 | | | NaN \n",
"4188 1.349000e+04 3.806189e+04 151- 157 | | | NaN \n",
"4189 3.048000e+00 7.772423e+04 152- 157 | | | NaN \n",
"4190 1.363000e+01 8.208159e+04 153- 156 | | | NaN \n",
"4191 3.251000e+00 8.166599e+04 153- 157 | | | NaN \n",
"4192 5.173000e-01 9.227901e+04 154- 156 | | | NaN \n",
"4193 4.907000e-02 9.175406e+04 154- 157 | | | NaN \n",
"4194 5.243000e-01 2.551000e+05 155- 156 | | | NaN \n",
"4195 7.134000e-02 2.511000e+05 155- 157 | | | NaN \n",
"\n",
"[4196 rows x 10 columns]"
]
},
"execution_count": 6,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"# Search number of transitions in the second header (in fact it searches all over the file, so this could be problematic)\n",
"args['nrows'] = search_header(file, \"Number of transitions\")\n",
"\n",
"# Search line where oscillator strengths table starts\n",
"args['skiprows'] = find_row(file, \"Transition\") +1\n",
"\n",
"oscillator_strengths = pd.read_csv(file, **args)\n",
"oscillator_strengths"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"## This has so many problems!\n",
"\n",
"## First attempt: use fixed widths instead pd.read_csv\n",
"\n",
"It's pretty straightforward if you know the columns widths beforehand."
]
},
{
"cell_type": "code",
"execution_count": 7,
"metadata": {},
"outputs": [
{
"data": {
"text/html": [
"<div>\n",
"<style scoped>\n",
" .dataframe tbody tr th:only-of-type {\n",
" vertical-align: middle;\n",
" }\n",
"\n",
" .dataframe tbody tr th {\n",
" vertical-align: top;\n",
" }\n",
"\n",
" .dataframe thead th {\n",
" text-align: right;\n",
" }\n",
"</style>\n",
"<table border=\"1\" class=\"dataframe\">\n",
" <thead>\n",
" <tr style=\"text-align: right;\">\n",
" <th></th>\n",
" <th>Transition</th>\n",
" <th>f</th>\n",
" <th>A</th>\n",
" <th>Lam(A)</th>\n",
" <th>i-j</th>\n",
" <th>Lam(obs)</th>\n",
" <th>% Acc</th>\n",
" </tr>\n",
" </thead>\n",
" <tbody>\n",
" <tr>\n",
" <th>1</th>\n",
" <td>3s2_3p_2Po[1/2] -3s_3p2_4Pe[1/2]</td>\n",
" <td>5.741000e-06</td>\n",
" <td>7.023000e+03</td>\n",
" <td>2335.123</td>\n",
" <td>1- 3</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>2</th>\n",
" <td>3s2_3p_2Po[1/2] -3s_3p2_4Pe[3/2]</td>\n",
" <td>3.564000e-08</td>\n",
" <td>2.191000e+01</td>\n",
" <td>2329.231</td>\n",
" <td>1- 4</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>3</th>\n",
" <td>3s2_3p_2Po[1/2] -3s_3p2_2De[3/2]</td>\n",
" <td>7.638000e-04</td>\n",
" <td>7.793000e+05</td>\n",
" <td>1808.013</td>\n",
" <td>1- 6</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4</th>\n",
" <td>3s2_3p_2Po[1/2] -3s2_4s_2Se[1/2]</td>\n",
" <td>1.279000e-01</td>\n",
" <td>3.661000e+08</td>\n",
" <td>1526.707</td>\n",
" <td>1- 8</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>5</th>\n",
" <td>3s2_3p_2Po[1/2] -3s_3p2_2Se[1/2]</td>\n",
" <td>1.062000e-01</td>\n",
" <td>4.162000e+08</td>\n",
" <td>1304.370</td>\n",
" <td>1- 9</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>6</th>\n",
" <td>3s2_3p_2Po[1/2] -3s2_3d_2De[3/2]</td>\n",
" <td>1.449000e+00</td>\n",
" <td>3.041000e+09</td>\n",
" <td>1260.422</td>\n",
" <td>1- 10</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>7</th>\n",
" <td>3s2_3p_2Po[1/2] -3s_3p2_2Pe[1/2]</td>\n",
" <td>5.942000e-01</td>\n",
" <td>2.784000e+09</td>\n",
" <td>1193.290</td>\n",
" <td>1- 14</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>8</th>\n",
" <td>3s2_3p_2Po[1/2] -3s_3p2_2Pe[3/2]</td>\n",
" <td>2.844000e-01</td>\n",
" <td>6.694000e+08</td>\n",
" <td>1190.416</td>\n",
" <td>1- 15</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>9</th>\n",
" <td>3s2_3p_2Po[1/2] -3s2_5s_2Se[1/2]</td>\n",
" <td>1.603000e-02</td>\n",
" <td>1.026000e+08</td>\n",
" <td>1020.699</td>\n",
" <td>1- 16</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>10</th>\n",
" <td>3s2_3p_2Po[1/2] -3s2_4d_2De[3/2]</td>\n",
" <td>1.469000e-01</td>\n",
" <td>4.999000e+08</td>\n",
" <td>989.873</td>\n",
" <td>1- 17</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>11</th>\n",
" <td>3s2_3p_2Po[1/2] -3s2_6s_2Se[1/2]</td>\n",
" <td>5.636000e-03</td>\n",
" <td>4.647000e+07</td>\n",
" <td>899.406</td>\n",
" <td>1- 25</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>12</th>\n",
" <td>3s2_3p_2Po[1/2] -3s2_5d_2De[3/2]</td>\n",
" <td>2.667000e-02</td>\n",
" <td>1.124000e+08</td>\n",
" <td>889.723</td>\n",
" <td>1- 26</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>13</th>\n",
" <td>3s2_3p_2Po[1/2] -3s2_7s_2Se[1/2]</td>\n",
" <td>2.661000e-03</td>\n",
" <td>2.467000e+07</td>\n",
" <td>848.070</td>\n",
" <td>1- 41</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>14</th>\n",
" <td>3s2_3p_2Po[1/2] -3s2_6d_2De[3/2]</td>\n",
" <td>8.222000e-03</td>\n",
" <td>3.852000e+07</td>\n",
" <td>843.719</td>\n",
" <td>1- 42</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>15</th>\n",
" <td>3s2_3p_2Po[1/2] -3s2_8s_2Se[1/2]</td>\n",
" <td>1.472000e-03</td>\n",
" <td>1.457000e+07</td>\n",
" <td>820.921</td>\n",
" <td>1- 54</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>16</th>\n",
" <td>3s2_3p_2Po[1/2] -3s2_7d_2De[3/2]</td>\n",
" <td>3.412000e-03</td>\n",
" <td>1.698000e+07</td>\n",
" <td>818.575</td>\n",
" <td>1- 55</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>17</th>\n",
" <td>3s2_3p_2Po[1/2] -3s2_9s_2Se[1/2]</td>\n",
" <td>8.994000e-04</td>\n",
" <td>9.266000e+06</td>\n",
" <td>804.656</td>\n",
" <td>1- 68</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>18</th>\n",
" <td>3s2_3p_2Po[1/2] -3s2_8d_2De[3/2]</td>\n",
" <td>1.690000e-03</td>\n",
" <td>8.737000e+06</td>\n",
" <td>803.241</td>\n",
" <td>1- 74</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>19</th>\n",
" <td>3s2_3p_2Po[1/2] -3s2_10s_2Se[1/2]</td>\n",
" <td>5.861000e-04</td>\n",
" <td>6.196000e+06</td>\n",
" <td>794.358</td>\n",
" <td>1- 89</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>20</th>\n",
" <td>3s2_3p_2Po[1/2] -3s2_9d_2De[3/2]</td>\n",
" <td>9.375000e-04</td>\n",
" <td>4.967000e+06</td>\n",
" <td>793.416</td>\n",
" <td>1- 90</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>21</th>\n",
" <td>3s2_3p_2Po[1/2] -3s2_11s_2Se[1/2]</td>\n",
" <td>3.981000e-04</td>\n",
" <td>4.286000e+06</td>\n",
" <td>787.073</td>\n",
" <td>1- 105</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>22</th>\n",
" <td>3s2_3p_2Po[1/2] -3s2_10d_2De[3/2]</td>\n",
" <td>5.508000e-04</td>\n",
" <td>2.970000e+06</td>\n",
" <td>786.423</td>\n",
" <td>1- 106</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>23</th>\n",
" <td>3s2_3p_2Po[1/2] -3s2_11d_2De</td>\n",
" <td>3.945000e-04</td>\n",
" <td>8.623000e+05</td>\n",
" <td>-781.224</td>\n",
" <td>1- 117</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>24</th>\n",
" <td>3s2_3p_2Po[1/2] -3s2_12w_2W</td>\n",
" <td>5.902000e-04</td>\n",
" <td>4.535000e+04</td>\n",
" <td>-776.458</td>\n",
" <td>1- 125</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>25</th>\n",
" <td>3s2_3p_2Po[1/2] -3s2_13w_2W</td>\n",
" <td>4.507000e-04</td>\n",
" <td>2.971000e+04</td>\n",
" <td>-773.749</td>\n",
" <td>1- 126</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>26</th>\n",
" <td>3s2_3p_2Po[1/2] -3s2_14w_2W</td>\n",
" <td>3.526000e-04</td>\n",
" <td>2.015000e+04</td>\n",
" <td>-771.613</td>\n",
" <td>1- 127</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>27</th>\n",
" <td>3s2_3p_2Po[1/2] -3s2_15w_2W</td>\n",
" <td>2.814000e-04</td>\n",
" <td>1.407000e+04</td>\n",
" <td>-769.898</td>\n",
" <td>1- 128</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>28</th>\n",
" <td>3s2_3p_2Po[1/2] -3s2_16w_2W</td>\n",
" <td>2.283000e-04</td>\n",
" <td>1.007000e+04</td>\n",
" <td>-768.501</td>\n",
" <td>1- 129</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>29</th>\n",
" <td>3s2_3p_2Po[1/2] -3s2_17w_2W</td>\n",
" <td>1.880000e-04</td>\n",
" <td>7.369000e+03</td>\n",
" <td>-767.346</td>\n",
" <td>1- 130</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>30</th>\n",
" <td>3s2_3p_2Po[1/2] -3s2_18w_2W</td>\n",
" <td>1.567000e-04</td>\n",
" <td>5.493000e+03</td>\n",
" <td>-766.381</td>\n",
" <td>1- 131</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>...</th>\n",
" <td>...</td>\n",
" <td>...</td>\n",
" <td>...</td>\n",
" <td>...</td>\n",
" <td>...</td>\n",
" <td>...</td>\n",
" <td>...</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4166</th>\n",
" <td>3s2_27w_2W -3s2_29w_2W</td>\n",
" <td>7.895000e-01</td>\n",
" <td>2.935000e+03</td>\n",
" <td>247000.000</td>\n",
" <td>0- 142</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4167</th>\n",
" <td>3s2_27w_2W -3s2_30w_2W</td>\n",
" <td>2.551000e-01</td>\n",
" <td>1.804000e+03</td>\n",
" <td>74100.000</td>\n",
" <td>0- 143</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4168</th>\n",
" <td>3s2_28w_2W -3s2_29w_2W</td>\n",
" <td>5.627000e+00</td>\n",
" <td>5.038000e+03</td>\n",
" <td>635000.000</td>\n",
" <td>1- 142</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4169</th>\n",
" <td>3s2_28w_2W -3s2_30w_2W</td>\n",
" <td>8.159000e-01</td>\n",
" <td>2.469000e+03</td>\n",
" <td>386000.000</td>\n",
" <td>1- 143</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4170</th>\n",
" <td>3s2_29w_2W -3s2_30w_2W</td>\n",
" <td>5.817000e+00</td>\n",
" <td>4.245000e+03</td>\n",
" <td>923000.000</td>\n",
" <td>2- 143</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4171</th>\n",
" <td>3s_3p(3Po)3d_2Fo[5/2]-3s_3p(3Po)4p_4De[3/2]</td>\n",
" <td>6.681000e-08</td>\n",
" <td>2.284000e-03</td>\n",
" <td>41000.000</td>\n",
" <td>4- 146</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4172</th>\n",
" <td>3s_3p(3Po)3d_2Fo[5/2]-3s_3p(3Po)4p_4De[5/2]</td>\n",
" <td>3.952000e-08</td>\n",
" <td>2.549000e-03</td>\n",
" <td>21600.000</td>\n",
" <td>4- 148</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4173</th>\n",
" <td>3s_3p(3Po)3d_2Fo[5/2]-3s_3p(3Po)4p_4De[7/2]</td>\n",
" <td>4.930000e-10</td>\n",
" <td>5.806000e-05</td>\n",
" <td>6100.000</td>\n",
" <td>4- 149</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4174</th>\n",
" <td>3s_3p(3Po)3d_2Fo[5/2]-3s_3p(3Po)4p_2Pe[3/2]</td>\n",
" <td>1.402000e-05</td>\n",
" <td>1.401000e+01</td>\n",
" <td>100.000</td>\n",
" <td>4- 151</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4175</th>\n",
" <td>3s_3p(3Po)3d_2Fo[5/2]-3s_3p(3Po)4p_4Pe[3/2]</td>\n",
" <td>1.462000e-06</td>\n",
" <td>8.437000e+00</td>\n",
" <td>1633.707</td>\n",
" <td>4- 153</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4176</th>\n",
" <td>3s_3p(3Po)3d_2Fo[5/2]-3s_3p(3Po)4p_4Pe[5/2]</td>\n",
" <td>9.882000e-07</td>\n",
" <td>4.241000e+00</td>\n",
" <td>9423.937</td>\n",
" <td>4- 154</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4177</th>\n",
" <td>3s_3p(3Po)3d_2Fo[5/2]-3s_3p(3Po)4p_4Se[3/2]</td>\n",
" <td>5.713000e-07</td>\n",
" <td>5.957000e+00</td>\n",
" <td>977.207</td>\n",
" <td>4- 155</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4178</th>\n",
" <td>3s_3p(3Po)4p_4De[1/2]-3p3_2Do[3/2]</td>\n",
" <td>6.251000e-04</td>\n",
" <td>2.581000e+03</td>\n",
" <td>8420.394</td>\n",
" <td>5- 157</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4179</th>\n",
" <td>3s_3p(3Po)4p_4De[3/2]-3p3_2Do[5/2]</td>\n",
" <td>2.483000e-04</td>\n",
" <td>1.303000e+03</td>\n",
" <td>9108.946</td>\n",
" <td>6- 156</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4180</th>\n",
" <td>3s_3p(3Po)4p_4De[3/2]-3p3_2Do[3/2]</td>\n",
" <td>2.799000e-05</td>\n",
" <td>2.211000e+02</td>\n",
" <td>9056.506</td>\n",
" <td>6- 157</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4181</th>\n",
" <td>3s_3p(3Po)3d_2Fo[7/2]-3s_3p(3Po)4p_4De[5/2]</td>\n",
" <td>8.911000e-08</td>\n",
" <td>3.800000e-04</td>\n",
" <td>444000.000</td>\n",
" <td>7- 148</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4182</th>\n",
" <td>3s_3p(3Po)3d_2Fo[7/2]-3s_3p(3Po)4p_4De[7/2]</td>\n",
" <td>4.976000e-09</td>\n",
" <td>1.968000e-04</td>\n",
" <td>10700.000</td>\n",
" <td>7- 149</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4183</th>\n",
" <td>3s_3p(3Po)3d_2Fo[7/2]-3s_3p(3Po)4p_4Pe[5/2]</td>\n",
" <td>1.415000e-05</td>\n",
" <td>6.630000e+01</td>\n",
" <td>3576.213</td>\n",
" <td>7- 154</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4184</th>\n",
" <td>3s_3p(3Po)4p_4De[5/2]-3p3_2Do[5/2]</td>\n",
" <td>9.973000e-08</td>\n",
" <td>7.285000e-01</td>\n",
" <td>218.327</td>\n",
" <td>8- 156</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4185</th>\n",
" <td>3s_3p(3Po)4p_4De[5/2]-3p3_2Do[3/2]</td>\n",
" <td>2.896000e-08</td>\n",
" <td>3.185000e-01</td>\n",
" <td>161.818</td>\n",
" <td>8- 157</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4186</th>\n",
" <td>3s_3p(3Po)4p_4De[7/2]-3p3_2Do[5/2]</td>\n",
" <td>3.697000e-08</td>\n",
" <td>3.232000e-01</td>\n",
" <td>1897.825</td>\n",
" <td>9- 156</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4187</th>\n",
" <td>3s_3p(3Po)4p_2Pe[1/2]-3p3_2Do[3/2]</td>\n",
" <td>3.396000e-02</td>\n",
" <td>8.327000e+04</td>\n",
" <td>6881.316</td>\n",
" <td>0- 157</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4188</th>\n",
" <td>3s_3p(3Po)4p_2Pe[3/2]-3p3_2Do[5/2]</td>\n",
" <td>2.937000e-02</td>\n",
" <td>8.973000e+04</td>\n",
" <td>8151.921</td>\n",
" <td>1- 156</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4189</th>\n",
" <td>3s_3p(3Po)4p_2Pe[3/2]-3p3_2Do[3/2]</td>\n",
" <td>2.930000e-03</td>\n",
" <td>1.349000e+04</td>\n",
" <td>8061.889</td>\n",
" <td>1- 157</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4190</th>\n",
" <td>3s_3p(3Po)4p_4Pe[1/2]-3p3_2Do[3/2]</td>\n",
" <td>5.520000e-06</td>\n",
" <td>3.048000e+00</td>\n",
" <td>7724.234</td>\n",
" <td>2- 157</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4191</th>\n",
" <td>3s_3p(3Po)4p_4Pe[3/2]-3p3_2Do[5/2]</td>\n",
" <td>2.065000e-05</td>\n",
" <td>1.363000e+01</td>\n",
" <td>2081.589</td>\n",
" <td>3- 156</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4192</th>\n",
" <td>3s_3p(3Po)4p_4Pe[3/2]-3p3_2Do[3/2]</td>\n",
" <td>3.250000e-06</td>\n",
" <td>3.251000e+00</td>\n",
" <td>1665.986</td>\n",
" <td>3- 157</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4193</th>\n",
" <td>3s_3p(3Po)4p_4Pe[5/2]-3p3_2Do[5/2]</td>\n",
" <td>6.605000e-07</td>\n",
" <td>5.173000e-01</td>\n",
" <td>2279.015</td>\n",
" <td>4- 156</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4194</th>\n",
" <td>3s_3p(3Po)4p_4Pe[5/2]-3p3_2Do[3/2]</td>\n",
" <td>4.129000e-08</td>\n",
" <td>4.907000e-02</td>\n",
" <td>1754.062</td>\n",
" <td>4- 157</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4195</th>\n",
" <td>3s_3p(3Po)4p_4Se[3/2]-3p3_2Do[5/2]</td>\n",
" <td>7.673000e-06</td>\n",
" <td>5.243000e-01</td>\n",
" <td>55100.000</td>\n",
" <td>5- 156</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" </tbody>\n",
"</table>\n",
"<p>4195 rows × 7 columns</p>\n",
"</div>"
],
"text/plain": [
" Transition f \\\n",
"1 3s2_3p_2Po[1/2] -3s_3p2_4Pe[1/2] 5.741000e-06 \n",
"2 3s2_3p_2Po[1/2] -3s_3p2_4Pe[3/2] 3.564000e-08 \n",
"3 3s2_3p_2Po[1/2] -3s_3p2_2De[3/2] 7.638000e-04 \n",
"4 3s2_3p_2Po[1/2] -3s2_4s_2Se[1/2] 1.279000e-01 \n",
"5 3s2_3p_2Po[1/2] -3s_3p2_2Se[1/2] 1.062000e-01 \n",
"6 3s2_3p_2Po[1/2] -3s2_3d_2De[3/2] 1.449000e+00 \n",
"7 3s2_3p_2Po[1/2] -3s_3p2_2Pe[1/2] 5.942000e-01 \n",
"8 3s2_3p_2Po[1/2] -3s_3p2_2Pe[3/2] 2.844000e-01 \n",
"9 3s2_3p_2Po[1/2] -3s2_5s_2Se[1/2] 1.603000e-02 \n",
"10 3s2_3p_2Po[1/2] -3s2_4d_2De[3/2] 1.469000e-01 \n",
"11 3s2_3p_2Po[1/2] -3s2_6s_2Se[1/2] 5.636000e-03 \n",
"12 3s2_3p_2Po[1/2] -3s2_5d_2De[3/2] 2.667000e-02 \n",
"13 3s2_3p_2Po[1/2] -3s2_7s_2Se[1/2] 2.661000e-03 \n",
"14 3s2_3p_2Po[1/2] -3s2_6d_2De[3/2] 8.222000e-03 \n",
"15 3s2_3p_2Po[1/2] -3s2_8s_2Se[1/2] 1.472000e-03 \n",
"16 3s2_3p_2Po[1/2] -3s2_7d_2De[3/2] 3.412000e-03 \n",
"17 3s2_3p_2Po[1/2] -3s2_9s_2Se[1/2] 8.994000e-04 \n",
"18 3s2_3p_2Po[1/2] -3s2_8d_2De[3/2] 1.690000e-03 \n",
"19 3s2_3p_2Po[1/2] -3s2_10s_2Se[1/2] 5.861000e-04 \n",
"20 3s2_3p_2Po[1/2] -3s2_9d_2De[3/2] 9.375000e-04 \n",
"21 3s2_3p_2Po[1/2] -3s2_11s_2Se[1/2] 3.981000e-04 \n",
"22 3s2_3p_2Po[1/2] -3s2_10d_2De[3/2] 5.508000e-04 \n",
"23 3s2_3p_2Po[1/2] -3s2_11d_2De 3.945000e-04 \n",
"24 3s2_3p_2Po[1/2] -3s2_12w_2W 5.902000e-04 \n",
"25 3s2_3p_2Po[1/2] -3s2_13w_2W 4.507000e-04 \n",
"26 3s2_3p_2Po[1/2] -3s2_14w_2W 3.526000e-04 \n",
"27 3s2_3p_2Po[1/2] -3s2_15w_2W 2.814000e-04 \n",
"28 3s2_3p_2Po[1/2] -3s2_16w_2W 2.283000e-04 \n",
"29 3s2_3p_2Po[1/2] -3s2_17w_2W 1.880000e-04 \n",
"30 3s2_3p_2Po[1/2] -3s2_18w_2W 1.567000e-04 \n",
"... ... ... \n",
"4166 3s2_27w_2W -3s2_29w_2W 7.895000e-01 \n",
"4167 3s2_27w_2W -3s2_30w_2W 2.551000e-01 \n",
"4168 3s2_28w_2W -3s2_29w_2W 5.627000e+00 \n",
"4169 3s2_28w_2W -3s2_30w_2W 8.159000e-01 \n",
"4170 3s2_29w_2W -3s2_30w_2W 5.817000e+00 \n",
"4171 3s_3p(3Po)3d_2Fo[5/2]-3s_3p(3Po)4p_4De[3/2] 6.681000e-08 \n",
"4172 3s_3p(3Po)3d_2Fo[5/2]-3s_3p(3Po)4p_4De[5/2] 3.952000e-08 \n",
"4173 3s_3p(3Po)3d_2Fo[5/2]-3s_3p(3Po)4p_4De[7/2] 4.930000e-10 \n",
"4174 3s_3p(3Po)3d_2Fo[5/2]-3s_3p(3Po)4p_2Pe[3/2] 1.402000e-05 \n",
"4175 3s_3p(3Po)3d_2Fo[5/2]-3s_3p(3Po)4p_4Pe[3/2] 1.462000e-06 \n",
"4176 3s_3p(3Po)3d_2Fo[5/2]-3s_3p(3Po)4p_4Pe[5/2] 9.882000e-07 \n",
"4177 3s_3p(3Po)3d_2Fo[5/2]-3s_3p(3Po)4p_4Se[3/2] 5.713000e-07 \n",
"4178 3s_3p(3Po)4p_4De[1/2]-3p3_2Do[3/2] 6.251000e-04 \n",
"4179 3s_3p(3Po)4p_4De[3/2]-3p3_2Do[5/2] 2.483000e-04 \n",
"4180 3s_3p(3Po)4p_4De[3/2]-3p3_2Do[3/2] 2.799000e-05 \n",
"4181 3s_3p(3Po)3d_2Fo[7/2]-3s_3p(3Po)4p_4De[5/2] 8.911000e-08 \n",
"4182 3s_3p(3Po)3d_2Fo[7/2]-3s_3p(3Po)4p_4De[7/2] 4.976000e-09 \n",
"4183 3s_3p(3Po)3d_2Fo[7/2]-3s_3p(3Po)4p_4Pe[5/2] 1.415000e-05 \n",
"4184 3s_3p(3Po)4p_4De[5/2]-3p3_2Do[5/2] 9.973000e-08 \n",
"4185 3s_3p(3Po)4p_4De[5/2]-3p3_2Do[3/2] 2.896000e-08 \n",
"4186 3s_3p(3Po)4p_4De[7/2]-3p3_2Do[5/2] 3.697000e-08 \n",
"4187 3s_3p(3Po)4p_2Pe[1/2]-3p3_2Do[3/2] 3.396000e-02 \n",
"4188 3s_3p(3Po)4p_2Pe[3/2]-3p3_2Do[5/2] 2.937000e-02 \n",
"4189 3s_3p(3Po)4p_2Pe[3/2]-3p3_2Do[3/2] 2.930000e-03 \n",
"4190 3s_3p(3Po)4p_4Pe[1/2]-3p3_2Do[3/2] 5.520000e-06 \n",
"4191 3s_3p(3Po)4p_4Pe[3/2]-3p3_2Do[5/2] 2.065000e-05 \n",
"4192 3s_3p(3Po)4p_4Pe[3/2]-3p3_2Do[3/2] 3.250000e-06 \n",
"4193 3s_3p(3Po)4p_4Pe[5/2]-3p3_2Do[5/2] 6.605000e-07 \n",
"4194 3s_3p(3Po)4p_4Pe[5/2]-3p3_2Do[3/2] 4.129000e-08 \n",
"4195 3s_3p(3Po)4p_4Se[3/2]-3p3_2Do[5/2] 7.673000e-06 \n",
"\n",
" A Lam(A) i-j Lam(obs) % Acc \n",
"1 7.023000e+03 2335.123 1- 3 NaN NaN \n",
"2 2.191000e+01 2329.231 1- 4 NaN NaN \n",
"3 7.793000e+05 1808.013 1- 6 NaN NaN \n",
"4 3.661000e+08 1526.707 1- 8 NaN NaN \n",
"5 4.162000e+08 1304.370 1- 9 NaN NaN \n",
"6 3.041000e+09 1260.422 1- 10 NaN NaN \n",
"7 2.784000e+09 1193.290 1- 14 NaN NaN \n",
"8 6.694000e+08 1190.416 1- 15 NaN NaN \n",
"9 1.026000e+08 1020.699 1- 16 NaN NaN \n",
"10 4.999000e+08 989.873 1- 17 NaN NaN \n",
"11 4.647000e+07 899.406 1- 25 NaN NaN \n",
"12 1.124000e+08 889.723 1- 26 NaN NaN \n",
"13 2.467000e+07 848.070 1- 41 NaN NaN \n",
"14 3.852000e+07 843.719 1- 42 NaN NaN \n",
"15 1.457000e+07 820.921 1- 54 NaN NaN \n",
"16 1.698000e+07 818.575 1- 55 NaN NaN \n",
"17 9.266000e+06 804.656 1- 68 NaN NaN \n",
"18 8.737000e+06 803.241 1- 74 NaN NaN \n",
"19 6.196000e+06 794.358 1- 89 NaN NaN \n",
"20 4.967000e+06 793.416 1- 90 NaN NaN \n",
"21 4.286000e+06 787.073 1- 105 NaN NaN \n",
"22 2.970000e+06 786.423 1- 106 NaN NaN \n",
"23 8.623000e+05 -781.224 1- 117 NaN NaN \n",
"24 4.535000e+04 -776.458 1- 125 NaN NaN \n",
"25 2.971000e+04 -773.749 1- 126 NaN NaN \n",
"26 2.015000e+04 -771.613 1- 127 NaN NaN \n",
"27 1.407000e+04 -769.898 1- 128 NaN NaN \n",
"28 1.007000e+04 -768.501 1- 129 NaN NaN \n",
"29 7.369000e+03 -767.346 1- 130 NaN NaN \n",
"30 5.493000e+03 -766.381 1- 131 NaN NaN \n",
"... ... ... ... ... ... \n",
"4166 2.935000e+03 247000.000 0- 142 NaN NaN \n",
"4167 1.804000e+03 74100.000 0- 143 NaN NaN \n",
"4168 5.038000e+03 635000.000 1- 142 NaN NaN \n",
"4169 2.469000e+03 386000.000 1- 143 NaN NaN \n",
"4170 4.245000e+03 923000.000 2- 143 NaN NaN \n",
"4171 2.284000e-03 41000.000 4- 146 NaN NaN \n",
"4172 2.549000e-03 21600.000 4- 148 NaN NaN \n",
"4173 5.806000e-05 6100.000 4- 149 NaN NaN \n",
"4174 1.401000e+01 100.000 4- 151 NaN NaN \n",
"4175 8.437000e+00 1633.707 4- 153 NaN NaN \n",
"4176 4.241000e+00 9423.937 4- 154 NaN NaN \n",
"4177 5.957000e+00 977.207 4- 155 NaN NaN \n",
"4178 2.581000e+03 8420.394 5- 157 NaN NaN \n",
"4179 1.303000e+03 9108.946 6- 156 NaN NaN \n",
"4180 2.211000e+02 9056.506 6- 157 NaN NaN \n",
"4181 3.800000e-04 444000.000 7- 148 NaN NaN \n",
"4182 1.968000e-04 10700.000 7- 149 NaN NaN \n",
"4183 6.630000e+01 3576.213 7- 154 NaN NaN \n",
"4184 7.285000e-01 218.327 8- 156 NaN NaN \n",
"4185 3.185000e-01 161.818 8- 157 NaN NaN \n",
"4186 3.232000e-01 1897.825 9- 156 NaN NaN \n",
"4187 8.327000e+04 6881.316 0- 157 NaN NaN \n",
"4188 8.973000e+04 8151.921 1- 156 NaN NaN \n",
"4189 1.349000e+04 8061.889 1- 157 NaN NaN \n",
"4190 3.048000e+00 7724.234 2- 157 NaN NaN \n",
"4191 1.363000e+01 2081.589 3- 156 NaN NaN \n",
"4192 3.251000e+00 1665.986 3- 157 NaN NaN \n",
"4193 5.173000e-01 2279.015 4- 156 NaN NaN \n",
"4194 4.907000e-02 1754.062 4- 157 NaN NaN \n",
"4195 5.243000e-01 55100.000 5- 156 NaN NaN \n",
"\n",
"[4195 rows x 7 columns]"
]
},
"execution_count": 7,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"widths = [(0,44), (49,59), (61,71), (74,83), (87,94) ]\n",
"oscillator_strengths = pd.read_fwf(file, colspecs=widths, **args)\n",
"oscillator_strengths.columns = ['Transition','f','A','Lam(A)','i-j'] #,'Lam(obs)','% Acc']\n",
"oscillator_strengths['Lam(obs)'] = np.nan\n",
"oscillator_strengths['% Acc'] = np.nan\n",
"oscillator_strengths[1:]"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"## Second attempt: use pd.read_csv, split the 'Transition' column, concatenate and pivot."
]
},
{
"cell_type": "code",
"execution_count": 8,
"metadata": {},
"outputs": [],
"source": [
"oscillator_strengths = pd.read_csv(file, **args)"
]
},
{
"cell_type": "code",
"execution_count": 9,
"metadata": {},
"outputs": [
{
"data": {
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" <th>2</th>\n",
" <th>3</th>\n",
" <th>4</th>\n",
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" <th>6</th>\n",
" <th>7</th>\n",
" <th>8</th>\n",
" <th>9</th>\n",
" </tr>\n",
" </thead>\n",
" <tbody>\n",
" <tr>\n",
" <th>1</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>-3s_3p2_4Pe[3/2]</td>\n",
" <td>3.564000e-08</td>\n",
" <td>21.91</td>\n",
" <td>2329.231</td>\n",
" <td>1-</td>\n",
" <td>4</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4195</th>\n",
" <td>3s_3p(3Po)4p_4Se[3/2]-3p3_2Do[3/2]</td>\n",
" <td>6.744E-07</td>\n",
" <td>7.134000e-02</td>\n",
" <td>251100.00</td>\n",
" <td>155-</td>\n",
" <td>157</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>|</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" </tbody>\n",
"</table>\n",
"</div>"
],
"text/plain": [
" 0 1 2 \\\n",
"1 3s2_3p_2Po[1/2] -3s_3p2_4Pe[3/2] 3.564000e-08 \n",
"4195 3s_3p(3Po)4p_4Se[3/2]-3p3_2Do[3/2] 6.744E-07 7.134000e-02 \n",
"\n",
" 3 4 5 6 7 8 9 \n",
"1 21.91 2329.231 1- 4 | | | \n",
"4195 251100.00 155- 157 | | | NaN "
]
},
"execution_count": 9,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"# An example of problematic rows:\n",
"# We can see transition is splitted in two columns for most rows.\n",
"# i-j are splitted in two different columns (that's easy to fix)\n",
"# also we want to discard the | symbols\n",
"oscillator_strengths.iloc[[1, 4195], :]"
]
},
{
"cell_type": "code",
"execution_count": 10,
"metadata": {},
"outputs": [
{
"data": {
"text/html": [
"<div>\n",
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" vertical-align: middle;\n",
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"\n",
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" text-align: right;\n",
" }\n",
"</style>\n",
"<table border=\"1\" class=\"dataframe\">\n",
" <thead>\n",
" <tr style=\"text-align: right;\">\n",
" <th></th>\n",
" <th>a</th>\n",
" <th>x</th>\n",
" </tr>\n",
" </thead>\n",
" <tbody>\n",
" <tr>\n",
" <th>1</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>None</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4195</th>\n",
" <td>3s_3p(3Po)4p_4Se[3/2]</td>\n",
" <td>3p3_2Do[3/2]</td>\n",
" </tr>\n",
" </tbody>\n",
"</table>\n",
"</div>"
],
"text/plain": [
" a x\n",
"1 3s2_3p_2Po[1/2] None\n",
"4195 3s_3p(3Po)4p_4Se[3/2] 3p3_2Do[3/2]"
]
},
"execution_count": 10,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"# Split the transition name by the '-' character\n",
"# as a result we have two different columns. In case the transition name was already splitted\n",
"# the new column is filled with 'None'.\n",
"\n",
"splitted = oscillator_strengths[0].str.split('-', expand=True)\n",
"splitted.columns = ['a', 'x']\n",
"splitted.iloc[[1, 4195], :]"
]
},
{
"cell_type": "code",
"execution_count": 11,
"metadata": {},
"outputs": [],
"source": [
"### Now I pivot the columns. This is weird."
]
},
{
"cell_type": "code",
"execution_count": 12,
"metadata": {},
"outputs": [
{
"name": "stderr",
"output_type": "stream",
"text": [
"/home/epassaro/miniconda3/envs/testing/lib/python3.7/site-packages/ipykernel_launcher.py:32: SettingWithCopyWarning: \n",
"A value is trying to be set on a copy of a slice from a DataFrame.\n",
"Try using .loc[row_indexer,col_indexer] = value instead\n",
"\n",
"See the caveats in the documentation: http://pandas.pydata.org/pandas-docs/stable/indexing.html#indexing-view-versus-copy\n",
"/home/epassaro/miniconda3/envs/testing/lib/python3.7/site-packages/pandas/core/indexing.py:543: SettingWithCopyWarning: \n",
"A value is trying to be set on a copy of a slice from a DataFrame.\n",
"Try using .loc[row_indexer,col_indexer] = value instead\n",
"\n",
"See the caveats in the documentation: http://pandas.pydata.org/pandas-docs/stable/indexing.html#indexing-view-versus-copy\n",
" self.obj[item] = s\n"
]
}
],
"source": [
"new = pd.concat([splitted, oscillator_strengths], axis=1)\n",
"\n",
"new.loc[ new['x'].isnull(), 'b' ] = new[1].str.replace('-','')\n",
"new.loc[ ~new['x'].isnull(), 'b'] = new['x']\n",
"\n",
"new['y'] = new['a'] + ' - ' + new['b']\n",
"\n",
"new.loc[ new['x'].isnull(), 'c'] = new[2]\n",
"new.loc[ ~new['x'].isnull(), 'c'] = new[1]\n",
"\n",
"new.loc[ new['x'].isnull(), 'd'] = new[3]\n",
"new.loc[ ~new['x'].isnull(), 'd'] = new[2]\n",
"\n",
"new.loc[ new['x'].isnull(), 'e'] = new[4]\n",
"new.loc[ ~new['x'].isnull(), 'e'] = new[3]\n",
"\n",
"new.loc[ new['x'].isnull(), 'f'] = new[5].map(str) + new[6].map(str)\n",
"new.loc[ ~new['x'].isnull(), 'f'] = new[4].map(str) + new[5].map(str)\n",
"\n",
"#new.loc[ new['x'].isnull(), 'g'] = new[6]\n",
"#new.loc[ ~new['x'].isnull(), 'g'] = new[5]\n",
"\n",
"new.loc[ new['x'].isnull(), 'g'] = new[7].str.replace('|','')\n",
"new.loc[ ~new['x'].isnull(), 'g'] = new[6].str.replace('|','')\n",
" \n",
"new.loc[ new['x'].isnull(), 'h'] = new[8].str.replace('|','')\n",
"new.loc[ ~new['x'].isnull(), 'h'] = new[8].str.replace('|','') # Ojo!\n",
"\n",
"\n",
"oscillator_strengths = new[['y', 'c', 'd', 'e', 'f', 'g', 'h']]\n",
"oscillator_strengths.columns = ['Transition', 'f', 'A', 'Lam(A)', 'i-j', 'Lam(obs)', '% Acc']\n",
"oscillator_strengths[['Lam(obs)', '% Acc']] = np.nan"
]
},
{
"cell_type": "code",
"execution_count": 13,
"metadata": {},
"outputs": [
{
"data": {
"text/html": [
"<div>\n",
"<style scoped>\n",
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"</style>\n",
"<table border=\"1\" class=\"dataframe\">\n",
" <thead>\n",
" <tr style=\"text-align: right;\">\n",
" <th></th>\n",
" <th>Transition</th>\n",
" <th>f</th>\n",
" <th>A</th>\n",
" <th>Lam(A)</th>\n",
" <th>i-j</th>\n",
" <th>Lam(obs)</th>\n",
" <th>% Acc</th>\n",
" </tr>\n",
" </thead>\n",
" <tbody>\n",
" <tr>\n",
" <th>0</th>\n",
" <td>3s2_3p_2Po[1/2] - 3s_3p2_4Pe[1/2]</td>\n",
" <td>5.741e-06</td>\n",
" <td>7.023000e+03</td>\n",
" <td>2335.123</td>\n",
" <td>1-3</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>1</th>\n",
" <td>3s2_3p_2Po[1/2] - 3s_3p2_4Pe[3/2]</td>\n",
" <td>3.564e-08</td>\n",
" <td>2.191000e+01</td>\n",
" <td>2329.231</td>\n",
" <td>1-4</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>2</th>\n",
" <td>3s2_3p_2Po[1/2] - 3s_3p2_2De[3/2]</td>\n",
" <td>0.0007638</td>\n",
" <td>7.793000e+05</td>\n",
" <td>1808.013</td>\n",
" <td>1-6</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>3</th>\n",
" <td>3s2_3p_2Po[1/2] - 3s2_4s_2Se[1/2]</td>\n",
" <td>0.1279</td>\n",
" <td>3.661000e+08</td>\n",
" <td>1526.707</td>\n",
" <td>1-8</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4</th>\n",
" <td>3s2_3p_2Po[1/2] - 3s_3p2_2Se[1/2]</td>\n",
" <td>0.1062</td>\n",
" <td>4.162000e+08</td>\n",
" <td>1304.370</td>\n",
" <td>1-9</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>5</th>\n",
" <td>3s2_3p_2Po[1/2] - 3s2_3d_2De[3/2]</td>\n",
" <td>1.449</td>\n",
" <td>3.041000e+09</td>\n",
" <td>1260.422</td>\n",
" <td>1-10</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>6</th>\n",
" <td>3s2_3p_2Po[1/2] - 3s_3p2_2Pe[1/2]</td>\n",
" <td>0.5942</td>\n",
" <td>2.784000e+09</td>\n",
" <td>1193.290</td>\n",
" <td>1-14</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>7</th>\n",
" <td>3s2_3p_2Po[1/2] - 3s_3p2_2Pe[3/2]</td>\n",
" <td>0.2844</td>\n",
" <td>6.694000e+08</td>\n",
" <td>1190.416</td>\n",
" <td>1-15</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>8</th>\n",
" <td>3s2_3p_2Po[1/2] - 3s2_5s_2Se[1/2]</td>\n",
" <td>0.01603</td>\n",
" <td>1.026000e+08</td>\n",
" <td>1020.699</td>\n",
" <td>1-16</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>9</th>\n",
" <td>3s2_3p_2Po[1/2] - 3s2_4d_2De[3/2]</td>\n",
" <td>0.1469</td>\n",
" <td>4.999000e+08</td>\n",
" <td>989.873</td>\n",
" <td>1-17</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>10</th>\n",
" <td>3s2_3p_2Po[1/2] - 3s2_6s_2Se[1/2]</td>\n",
" <td>0.005636</td>\n",
" <td>4.647000e+07</td>\n",
" <td>899.406</td>\n",
" <td>1-25</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>11</th>\n",
" <td>3s2_3p_2Po[1/2] - 3s2_5d_2De[3/2]</td>\n",
" <td>0.02667</td>\n",
" <td>1.124000e+08</td>\n",
" <td>889.723</td>\n",
" <td>1-26</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>12</th>\n",
" <td>3s2_3p_2Po[1/2] - 3s2_7s_2Se[1/2]</td>\n",
" <td>0.002661</td>\n",
" <td>2.467000e+07</td>\n",
" <td>848.070</td>\n",
" <td>1-41</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>13</th>\n",
" <td>3s2_3p_2Po[1/2] - 3s2_6d_2De[3/2]</td>\n",
" <td>0.008222</td>\n",
" <td>3.852000e+07</td>\n",
" <td>843.719</td>\n",
" <td>1-42</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>14</th>\n",
" <td>3s2_3p_2Po[1/2] - 3s2_8s_2Se[1/2]</td>\n",
" <td>0.001472</td>\n",
" <td>1.457000e+07</td>\n",
" <td>820.921</td>\n",
" <td>1-54</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>15</th>\n",
" <td>3s2_3p_2Po[1/2] - 3s2_7d_2De[3/2]</td>\n",
" <td>0.003412</td>\n",
" <td>1.698000e+07</td>\n",
" <td>818.575</td>\n",
" <td>1-55</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>16</th>\n",
" <td>3s2_3p_2Po[1/2] - 3s2_9s_2Se[1/2]</td>\n",
" <td>0.0008994</td>\n",
" <td>9.266000e+06</td>\n",
" <td>804.656</td>\n",
" <td>1-68</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>17</th>\n",
" <td>3s2_3p_2Po[1/2] - 3s2_8d_2De[3/2]</td>\n",
" <td>0.00169</td>\n",
" <td>8.737000e+06</td>\n",
" <td>803.241</td>\n",
" <td>1-74</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>18</th>\n",
" <td>3s2_3p_2Po[1/2] - 3s2_10s_2Se[1/2]</td>\n",
" <td>0.0005861</td>\n",
" <td>6.196000e+06</td>\n",
" <td>794.358</td>\n",
" <td>1-89</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>19</th>\n",
" <td>3s2_3p_2Po[1/2] - 3s2_9d_2De[3/2]</td>\n",
" <td>0.0009375</td>\n",
" <td>4.967000e+06</td>\n",
" <td>793.416</td>\n",
" <td>1-90</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>20</th>\n",
" <td>3s2_3p_2Po[1/2] - 3s2_11s_2Se[1/2]</td>\n",
" <td>0.0003981</td>\n",
" <td>4.286000e+06</td>\n",
" <td>787.073</td>\n",
" <td>1-105</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>21</th>\n",
" <td>3s2_3p_2Po[1/2] - 3s2_10d_2De[3/2]</td>\n",
" <td>0.0005508</td>\n",
" <td>2.970000e+06</td>\n",
" <td>786.423</td>\n",
" <td>1-106</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>22</th>\n",
" <td>3s2_3p_2Po[1/2] - 3s2_11d_2De</td>\n",
" <td>0.0003945</td>\n",
" <td>8.623000e+05</td>\n",
" <td>-781.224</td>\n",
" <td>1-117</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>23</th>\n",
" <td>3s2_3p_2Po[1/2] - 3s2_12w_2W</td>\n",
" <td>0.0005902</td>\n",
" <td>4.535000e+04</td>\n",
" <td>-776.458</td>\n",
" <td>1-125</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>24</th>\n",
" <td>3s2_3p_2Po[1/2] - 3s2_13w_2W</td>\n",
" <td>0.0004507</td>\n",
" <td>2.971000e+04</td>\n",
" <td>-773.749</td>\n",
" <td>1-126</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>25</th>\n",
" <td>3s2_3p_2Po[1/2] - 3s2_14w_2W</td>\n",
" <td>0.0003526</td>\n",
" <td>2.015000e+04</td>\n",
" <td>-771.613</td>\n",
" <td>1-127</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>26</th>\n",
" <td>3s2_3p_2Po[1/2] - 3s2_15w_2W</td>\n",
" <td>0.0002814</td>\n",
" <td>1.407000e+04</td>\n",
" <td>-769.898</td>\n",
" <td>1-128</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>27</th>\n",
" <td>3s2_3p_2Po[1/2] - 3s2_16w_2W</td>\n",
" <td>0.0002283</td>\n",
" <td>1.007000e+04</td>\n",
" <td>-768.501</td>\n",
" <td>1-129</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>28</th>\n",
" <td>3s2_3p_2Po[1/2] - 3s2_17w_2W</td>\n",
" <td>0.000188</td>\n",
" <td>7.369000e+03</td>\n",
" <td>-767.346</td>\n",
" <td>1-130</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>29</th>\n",
" <td>3s2_3p_2Po[1/2] - 3s2_18w_2W</td>\n",
" <td>0.0001567</td>\n",
" <td>5.493000e+03</td>\n",
" <td>-766.381</td>\n",
" <td>1-131</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>...</th>\n",
" <td>...</td>\n",
" <td>...</td>\n",
" <td>...</td>\n",
" <td>...</td>\n",
" <td>...</td>\n",
" <td>...</td>\n",
" <td>...</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4166</th>\n",
" <td>3s2_27w_2W - 3s2_30w_2W</td>\n",
" <td>0.2551</td>\n",
" <td>1.804000e+03</td>\n",
" <td>-8.741E+05</td>\n",
" <td>140-143</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4167</th>\n",
" <td>3s2_28w_2W - 3s2_29w_2W</td>\n",
" <td>5.627</td>\n",
" <td>5.038000e+03</td>\n",
" <td>-2.635E+06</td>\n",
" <td>141-142</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4168</th>\n",
" <td>3s2_28w_2W - 3s2_30w_2W</td>\n",
" <td>0.8159</td>\n",
" <td>2.469000e+03</td>\n",
" <td>-1.386E+06</td>\n",
" <td>141-143</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4169</th>\n",
" <td>3s2_29w_2W - 3s2_30w_2W</td>\n",
" <td>5.817</td>\n",
" <td>4.245000e+03</td>\n",
" <td>-2.923E+06</td>\n",
" <td>142-143</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4170</th>\n",
" <td>3s_3p(3Po)3d_2Fo[5/2] - 3s_3p(3Po)4p_4De[3/2]</td>\n",
" <td>6.681E-08</td>\n",
" <td>2.284000e-03</td>\n",
" <td>541000</td>\n",
" <td>144-146</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4171</th>\n",
" <td>3s_3p(3Po)3d_2Fo[5/2] - 3s_3p(3Po)4p_4De[5/2]</td>\n",
" <td>3.952E-08</td>\n",
" <td>2.549000e-03</td>\n",
" <td>321600</td>\n",
" <td>144-148</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4172</th>\n",
" <td>3s_3p(3Po)3d_2Fo[5/2] - 3s_3p(3Po)4p_4De[7/2]</td>\n",
" <td>4.930E-10</td>\n",
" <td>5.806000e-05</td>\n",
" <td>206100</td>\n",
" <td>144-149</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4173</th>\n",
" <td>3s_3p(3Po)3d_2Fo[5/2] - 3s_3p(3Po)4p_2Pe[3/2]</td>\n",
" <td>1.402E-05</td>\n",
" <td>1.401000e+01</td>\n",
" <td>100100</td>\n",
" <td>144-151</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4174</th>\n",
" <td>3s_3p(3Po)3d_2Fo[5/2] - 3s_3p(3Po)4p_4Pe[3/2]</td>\n",
" <td>1.462E-06</td>\n",
" <td>8.437000e+00</td>\n",
" <td>41633.7</td>\n",
" <td>144-153</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4175</th>\n",
" <td>3s_3p(3Po)3d_2Fo[5/2] - 3s_3p(3Po)4p_4Pe[5/2]</td>\n",
" <td>9.882E-07</td>\n",
" <td>4.241000e+00</td>\n",
" <td>39423.9</td>\n",
" <td>144-154</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4176</th>\n",
" <td>3s_3p(3Po)3d_2Fo[5/2] - 3s_3p(3Po)4p_4Se[3/2]</td>\n",
" <td>5.713E-07</td>\n",
" <td>5.957000e+00</td>\n",
" <td>30977.2</td>\n",
" <td>144-155</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4177</th>\n",
" <td>3s_3p(3Po)4p_4De[1/2] - 3p3_2Do[3/2]</td>\n",
" <td>6.251E-04</td>\n",
" <td>2.581000e+03</td>\n",
" <td>28420.4</td>\n",
" <td>145-157</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4178</th>\n",
" <td>3s_3p(3Po)4p_4De[3/2] - 3p3_2Do[5/2]</td>\n",
" <td>2.483E-04</td>\n",
" <td>1.303000e+03</td>\n",
" <td>29108.9</td>\n",
" <td>146-156</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4179</th>\n",
" <td>3s_3p(3Po)4p_4De[3/2] - 3p3_2Do[3/2]</td>\n",
" <td>2.799E-05</td>\n",
" <td>2.211000e+02</td>\n",
" <td>29056.5</td>\n",
" <td>146-157</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4180</th>\n",
" <td>3s_3p(3Po)3d_2Fo[7/2] - 3s_3p(3Po)4p_4De[5/2]</td>\n",
" <td>8.911E-08</td>\n",
" <td>3.800000e-04</td>\n",
" <td>1.444e+06</td>\n",
" <td>147-148</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4181</th>\n",
" <td>3s_3p(3Po)3d_2Fo[7/2] - 3s_3p(3Po)4p_4De[7/2]</td>\n",
" <td>4.976E-09</td>\n",
" <td>1.968000e-04</td>\n",
" <td>410700</td>\n",
" <td>147-149</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4182</th>\n",
" <td>3s_3p(3Po)3d_2Fo[7/2] - 3s_3p(3Po)4p_4Pe[5/2]</td>\n",
" <td>1.415E-05</td>\n",
" <td>6.630000e+01</td>\n",
" <td>43576.2</td>\n",
" <td>147-154</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4183</th>\n",
" <td>3s_3p(3Po)4p_4De[5/2] - 3p3_2Do[5/2]</td>\n",
" <td>9.973E-08</td>\n",
" <td>7.285000e-01</td>\n",
" <td>30218.3</td>\n",
" <td>148-156</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4184</th>\n",
" <td>3s_3p(3Po)4p_4De[5/2] - 3p3_2Do[3/2]</td>\n",
" <td>2.896E-08</td>\n",
" <td>3.185000e-01</td>\n",
" <td>30161.8</td>\n",
" <td>148-157</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4185</th>\n",
" <td>3s_3p(3Po)4p_4De[7/2] - 3p3_2Do[5/2]</td>\n",
" <td>3.697E-08</td>\n",
" <td>3.232000e-01</td>\n",
" <td>31897.8</td>\n",
" <td>149-156</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4186</th>\n",
" <td>3s_3p(3Po)4p_2Pe[1/2] - 3p3_2Do[3/2]</td>\n",
" <td>3.396E-02</td>\n",
" <td>8.327000e+04</td>\n",
" <td>36881.3</td>\n",
" <td>150-157</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4187</th>\n",
" <td>3s_3p(3Po)4p_2Pe[3/2] - 3p3_2Do[5/2]</td>\n",
" <td>2.937E-02</td>\n",
" <td>8.973000e+04</td>\n",
" <td>38151.9</td>\n",
" <td>151-156</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4188</th>\n",
" <td>3s_3p(3Po)4p_2Pe[3/2] - 3p3_2Do[3/2]</td>\n",
" <td>2.930E-03</td>\n",
" <td>1.349000e+04</td>\n",
" <td>38061.9</td>\n",
" <td>151-157</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4189</th>\n",
" <td>3s_3p(3Po)4p_4Pe[1/2] - 3p3_2Do[3/2]</td>\n",
" <td>5.520E-06</td>\n",
" <td>3.048000e+00</td>\n",
" <td>77724.2</td>\n",
" <td>152-157</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4190</th>\n",
" <td>3s_3p(3Po)4p_4Pe[3/2] - 3p3_2Do[5/2]</td>\n",
" <td>2.065E-05</td>\n",
" <td>1.363000e+01</td>\n",
" <td>82081.6</td>\n",
" <td>153-156</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4191</th>\n",
" <td>3s_3p(3Po)4p_4Pe[3/2] - 3p3_2Do[3/2]</td>\n",
" <td>3.250E-06</td>\n",
" <td>3.251000e+00</td>\n",
" <td>81666</td>\n",
" <td>153-157</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4192</th>\n",
" <td>3s_3p(3Po)4p_4Pe[5/2] - 3p3_2Do[5/2]</td>\n",
" <td>6.605E-07</td>\n",
" <td>5.173000e-01</td>\n",
" <td>92279</td>\n",
" <td>154-156</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4193</th>\n",
" <td>3s_3p(3Po)4p_4Pe[5/2] - 3p3_2Do[3/2]</td>\n",
" <td>4.129E-08</td>\n",
" <td>4.907000e-02</td>\n",
" <td>91754.1</td>\n",
" <td>154-157</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4194</th>\n",
" <td>3s_3p(3Po)4p_4Se[3/2] - 3p3_2Do[5/2]</td>\n",
" <td>7.673E-06</td>\n",
" <td>5.243000e-01</td>\n",
" <td>255100</td>\n",
" <td>155-156</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4195</th>\n",
" <td>3s_3p(3Po)4p_4Se[3/2] - 3p3_2Do[3/2]</td>\n",
" <td>6.744E-07</td>\n",
" <td>7.134000e-02</td>\n",
" <td>251100</td>\n",
" <td>155-157</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" </tbody>\n",
"</table>\n",
"<p>4196 rows × 7 columns</p>\n",
"</div>"
],
"text/plain": [
" Transition f A \\\n",
"0 3s2_3p_2Po[1/2] - 3s_3p2_4Pe[1/2] 5.741e-06 7.023000e+03 \n",
"1 3s2_3p_2Po[1/2] - 3s_3p2_4Pe[3/2] 3.564e-08 2.191000e+01 \n",
"2 3s2_3p_2Po[1/2] - 3s_3p2_2De[3/2] 0.0007638 7.793000e+05 \n",
"3 3s2_3p_2Po[1/2] - 3s2_4s_2Se[1/2] 0.1279 3.661000e+08 \n",
"4 3s2_3p_2Po[1/2] - 3s_3p2_2Se[1/2] 0.1062 4.162000e+08 \n",
"5 3s2_3p_2Po[1/2] - 3s2_3d_2De[3/2] 1.449 3.041000e+09 \n",
"6 3s2_3p_2Po[1/2] - 3s_3p2_2Pe[1/2] 0.5942 2.784000e+09 \n",
"7 3s2_3p_2Po[1/2] - 3s_3p2_2Pe[3/2] 0.2844 6.694000e+08 \n",
"8 3s2_3p_2Po[1/2] - 3s2_5s_2Se[1/2] 0.01603 1.026000e+08 \n",
"9 3s2_3p_2Po[1/2] - 3s2_4d_2De[3/2] 0.1469 4.999000e+08 \n",
"10 3s2_3p_2Po[1/2] - 3s2_6s_2Se[1/2] 0.005636 4.647000e+07 \n",
"11 3s2_3p_2Po[1/2] - 3s2_5d_2De[3/2] 0.02667 1.124000e+08 \n",
"12 3s2_3p_2Po[1/2] - 3s2_7s_2Se[1/2] 0.002661 2.467000e+07 \n",
"13 3s2_3p_2Po[1/2] - 3s2_6d_2De[3/2] 0.008222 3.852000e+07 \n",
"14 3s2_3p_2Po[1/2] - 3s2_8s_2Se[1/2] 0.001472 1.457000e+07 \n",
"15 3s2_3p_2Po[1/2] - 3s2_7d_2De[3/2] 0.003412 1.698000e+07 \n",
"16 3s2_3p_2Po[1/2] - 3s2_9s_2Se[1/2] 0.0008994 9.266000e+06 \n",
"17 3s2_3p_2Po[1/2] - 3s2_8d_2De[3/2] 0.00169 8.737000e+06 \n",
"18 3s2_3p_2Po[1/2] - 3s2_10s_2Se[1/2] 0.0005861 6.196000e+06 \n",
"19 3s2_3p_2Po[1/2] - 3s2_9d_2De[3/2] 0.0009375 4.967000e+06 \n",
"20 3s2_3p_2Po[1/2] - 3s2_11s_2Se[1/2] 0.0003981 4.286000e+06 \n",
"21 3s2_3p_2Po[1/2] - 3s2_10d_2De[3/2] 0.0005508 2.970000e+06 \n",
"22 3s2_3p_2Po[1/2] - 3s2_11d_2De 0.0003945 8.623000e+05 \n",
"23 3s2_3p_2Po[1/2] - 3s2_12w_2W 0.0005902 4.535000e+04 \n",
"24 3s2_3p_2Po[1/2] - 3s2_13w_2W 0.0004507 2.971000e+04 \n",
"25 3s2_3p_2Po[1/2] - 3s2_14w_2W 0.0003526 2.015000e+04 \n",
"26 3s2_3p_2Po[1/2] - 3s2_15w_2W 0.0002814 1.407000e+04 \n",
"27 3s2_3p_2Po[1/2] - 3s2_16w_2W 0.0002283 1.007000e+04 \n",
"28 3s2_3p_2Po[1/2] - 3s2_17w_2W 0.000188 7.369000e+03 \n",
"29 3s2_3p_2Po[1/2] - 3s2_18w_2W 0.0001567 5.493000e+03 \n",
"... ... ... ... \n",
"4166 3s2_27w_2W - 3s2_30w_2W 0.2551 1.804000e+03 \n",
"4167 3s2_28w_2W - 3s2_29w_2W 5.627 5.038000e+03 \n",
"4168 3s2_28w_2W - 3s2_30w_2W 0.8159 2.469000e+03 \n",
"4169 3s2_29w_2W - 3s2_30w_2W 5.817 4.245000e+03 \n",
"4170 3s_3p(3Po)3d_2Fo[5/2] - 3s_3p(3Po)4p_4De[3/2] 6.681E-08 2.284000e-03 \n",
"4171 3s_3p(3Po)3d_2Fo[5/2] - 3s_3p(3Po)4p_4De[5/2] 3.952E-08 2.549000e-03 \n",
"4172 3s_3p(3Po)3d_2Fo[5/2] - 3s_3p(3Po)4p_4De[7/2] 4.930E-10 5.806000e-05 \n",
"4173 3s_3p(3Po)3d_2Fo[5/2] - 3s_3p(3Po)4p_2Pe[3/2] 1.402E-05 1.401000e+01 \n",
"4174 3s_3p(3Po)3d_2Fo[5/2] - 3s_3p(3Po)4p_4Pe[3/2] 1.462E-06 8.437000e+00 \n",
"4175 3s_3p(3Po)3d_2Fo[5/2] - 3s_3p(3Po)4p_4Pe[5/2] 9.882E-07 4.241000e+00 \n",
"4176 3s_3p(3Po)3d_2Fo[5/2] - 3s_3p(3Po)4p_4Se[3/2] 5.713E-07 5.957000e+00 \n",
"4177 3s_3p(3Po)4p_4De[1/2] - 3p3_2Do[3/2] 6.251E-04 2.581000e+03 \n",
"4178 3s_3p(3Po)4p_4De[3/2] - 3p3_2Do[5/2] 2.483E-04 1.303000e+03 \n",
"4179 3s_3p(3Po)4p_4De[3/2] - 3p3_2Do[3/2] 2.799E-05 2.211000e+02 \n",
"4180 3s_3p(3Po)3d_2Fo[7/2] - 3s_3p(3Po)4p_4De[5/2] 8.911E-08 3.800000e-04 \n",
"4181 3s_3p(3Po)3d_2Fo[7/2] - 3s_3p(3Po)4p_4De[7/2] 4.976E-09 1.968000e-04 \n",
"4182 3s_3p(3Po)3d_2Fo[7/2] - 3s_3p(3Po)4p_4Pe[5/2] 1.415E-05 6.630000e+01 \n",
"4183 3s_3p(3Po)4p_4De[5/2] - 3p3_2Do[5/2] 9.973E-08 7.285000e-01 \n",
"4184 3s_3p(3Po)4p_4De[5/2] - 3p3_2Do[3/2] 2.896E-08 3.185000e-01 \n",
"4185 3s_3p(3Po)4p_4De[7/2] - 3p3_2Do[5/2] 3.697E-08 3.232000e-01 \n",
"4186 3s_3p(3Po)4p_2Pe[1/2] - 3p3_2Do[3/2] 3.396E-02 8.327000e+04 \n",
"4187 3s_3p(3Po)4p_2Pe[3/2] - 3p3_2Do[5/2] 2.937E-02 8.973000e+04 \n",
"4188 3s_3p(3Po)4p_2Pe[3/2] - 3p3_2Do[3/2] 2.930E-03 1.349000e+04 \n",
"4189 3s_3p(3Po)4p_4Pe[1/2] - 3p3_2Do[3/2] 5.520E-06 3.048000e+00 \n",
"4190 3s_3p(3Po)4p_4Pe[3/2] - 3p3_2Do[5/2] 2.065E-05 1.363000e+01 \n",
"4191 3s_3p(3Po)4p_4Pe[3/2] - 3p3_2Do[3/2] 3.250E-06 3.251000e+00 \n",
"4192 3s_3p(3Po)4p_4Pe[5/2] - 3p3_2Do[5/2] 6.605E-07 5.173000e-01 \n",
"4193 3s_3p(3Po)4p_4Pe[5/2] - 3p3_2Do[3/2] 4.129E-08 4.907000e-02 \n",
"4194 3s_3p(3Po)4p_4Se[3/2] - 3p3_2Do[5/2] 7.673E-06 5.243000e-01 \n",
"4195 3s_3p(3Po)4p_4Se[3/2] - 3p3_2Do[3/2] 6.744E-07 7.134000e-02 \n",
"\n",
" Lam(A) i-j Lam(obs) % Acc \n",
"0 2335.123 1-3 NaN NaN \n",
"1 2329.231 1-4 NaN NaN \n",
"2 1808.013 1-6 NaN NaN \n",
"3 1526.707 1-8 NaN NaN \n",
"4 1304.370 1-9 NaN NaN \n",
"5 1260.422 1-10 NaN NaN \n",
"6 1193.290 1-14 NaN NaN \n",
"7 1190.416 1-15 NaN NaN \n",
"8 1020.699 1-16 NaN NaN \n",
"9 989.873 1-17 NaN NaN \n",
"10 899.406 1-25 NaN NaN \n",
"11 889.723 1-26 NaN NaN \n",
"12 848.070 1-41 NaN NaN \n",
"13 843.719 1-42 NaN NaN \n",
"14 820.921 1-54 NaN NaN \n",
"15 818.575 1-55 NaN NaN \n",
"16 804.656 1-68 NaN NaN \n",
"17 803.241 1-74 NaN NaN \n",
"18 794.358 1-89 NaN NaN \n",
"19 793.416 1-90 NaN NaN \n",
"20 787.073 1-105 NaN NaN \n",
"21 786.423 1-106 NaN NaN \n",
"22 -781.224 1-117 NaN NaN \n",
"23 -776.458 1-125 NaN NaN \n",
"24 -773.749 1-126 NaN NaN \n",
"25 -771.613 1-127 NaN NaN \n",
"26 -769.898 1-128 NaN NaN \n",
"27 -768.501 1-129 NaN NaN \n",
"28 -767.346 1-130 NaN NaN \n",
"29 -766.381 1-131 NaN NaN \n",
"... ... ... ... ... \n",
"4166 -8.741E+05 140-143 NaN NaN \n",
"4167 -2.635E+06 141-142 NaN NaN \n",
"4168 -1.386E+06 141-143 NaN NaN \n",
"4169 -2.923E+06 142-143 NaN NaN \n",
"4170 541000 144-146 NaN NaN \n",
"4171 321600 144-148 NaN NaN \n",
"4172 206100 144-149 NaN NaN \n",
"4173 100100 144-151 NaN NaN \n",
"4174 41633.7 144-153 NaN NaN \n",
"4175 39423.9 144-154 NaN NaN \n",
"4176 30977.2 144-155 NaN NaN \n",
"4177 28420.4 145-157 NaN NaN \n",
"4178 29108.9 146-156 NaN NaN \n",
"4179 29056.5 146-157 NaN NaN \n",
"4180 1.444e+06 147-148 NaN NaN \n",
"4181 410700 147-149 NaN NaN \n",
"4182 43576.2 147-154 NaN NaN \n",
"4183 30218.3 148-156 NaN NaN \n",
"4184 30161.8 148-157 NaN NaN \n",
"4185 31897.8 149-156 NaN NaN \n",
"4186 36881.3 150-157 NaN NaN \n",
"4187 38151.9 151-156 NaN NaN \n",
"4188 38061.9 151-157 NaN NaN \n",
"4189 77724.2 152-157 NaN NaN \n",
"4190 82081.6 153-156 NaN NaN \n",
"4191 81666 153-157 NaN NaN \n",
"4192 92279 154-156 NaN NaN \n",
"4193 91754.1 154-157 NaN NaN \n",
"4194 255100 155-156 NaN NaN \n",
"4195 251100 155-157 NaN NaN \n",
"\n",
"[4196 rows x 7 columns]"
]
},
"execution_count": 13,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"oscillator_strengths"
]
},
{
"cell_type": "code",
"execution_count": 14,
"metadata": {},
"outputs": [
{
"data": {
"text/html": [
"<div>\n",
"<style scoped>\n",
" .dataframe tbody tr th:only-of-type {\n",
" vertical-align: middle;\n",
" }\n",
"\n",
" .dataframe tbody tr th {\n",
" vertical-align: top;\n",
" }\n",
"\n",
" .dataframe thead th {\n",
" text-align: right;\n",
" }\n",
"</style>\n",
"<table border=\"1\" class=\"dataframe\">\n",
" <thead>\n",
" <tr style=\"text-align: right;\">\n",
" <th></th>\n",
" <th>Null values</th>\n",
" </tr>\n",
" </thead>\n",
" <tbody>\n",
" <tr>\n",
" <th>Transition</th>\n",
" <td>0</td>\n",
" </tr>\n",
" <tr>\n",
" <th>f</th>\n",
" <td>0</td>\n",
" </tr>\n",
" <tr>\n",
" <th>A</th>\n",
" <td>0</td>\n",
" </tr>\n",
" <tr>\n",
" <th>Lam(A)</th>\n",
" <td>0</td>\n",
" </tr>\n",
" <tr>\n",
" <th>i-j</th>\n",
" <td>0</td>\n",
" </tr>\n",
" <tr>\n",
" <th>Lam(obs)</th>\n",
" <td>4196</td>\n",
" </tr>\n",
" <tr>\n",
" <th>% Acc</th>\n",
" <td>4196</td>\n",
" </tr>\n",
" </tbody>\n",
"</table>\n",
"</div>"
],
"text/plain": [
" Null values\n",
"Transition 0\n",
"f 0\n",
"A 0\n",
"Lam(A) 0\n",
"i-j 0\n",
"Lam(obs) 4196\n",
"% Acc 4196"
]
},
"execution_count": 14,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"nulls = pd.DataFrame(oscillator_strengths.isnull().sum(), columns=['Null values'])\n",
"nulls"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"## Third approach: regular expressions with pd.read_csv"
]
},
{
"cell_type": "code",
"execution_count": 15,
"metadata": {},
"outputs": [
{
"name": "stderr",
"output_type": "stream",
"text": [
"/home/epassaro/miniconda3/envs/testing/lib/python3.7/site-packages/ipykernel_launcher.py:6: ParserWarning: Falling back to the 'python' engine because the 'c' engine does not support regex separators (separators > 1 char and different from '\\s+' are interpreted as regex); you can avoid this warning by specifying engine='python'.\n",
" \n"
]
}
],
"source": [
"#sep = '(?<=[^E])-(?:[ ]{1,})?|(?<!-)[ ]{2,}[-,\\|]?'\n",
"\n",
"args['delim_whitespace'] = False\n",
"args['sep'] = '(?<=[^E])-(?:[ ]{1,})?|(?<!-)[ ]{2,}[-,\\|]?'\n",
"\n",
"oscillator_strengths = pd.read_csv(file, **args)\n",
"oscillator_strengths.columns = ['State A', 'State B', 'f', 'A', 'Lam(A)', 'i', 'j', 'Lam(obs)', '% Acc', '?']"
]
},
{
"cell_type": "code",
"execution_count": 16,
"metadata": {},
"outputs": [
{
"data": {
"text/html": [
"<div>\n",
"<style scoped>\n",
" .dataframe tbody tr th:only-of-type {\n",
" vertical-align: middle;\n",
" }\n",
"\n",
" .dataframe tbody tr th {\n",
" vertical-align: top;\n",
" }\n",
"\n",
" .dataframe thead th {\n",
" text-align: right;\n",
" }\n",
"</style>\n",
"<table border=\"1\" class=\"dataframe\">\n",
" <thead>\n",
" <tr style=\"text-align: right;\">\n",
" <th></th>\n",
" <th>State A</th>\n",
" <th>State B</th>\n",
" <th>f</th>\n",
" <th>A</th>\n",
" <th>Lam(A)</th>\n",
" <th>i</th>\n",
" <th>j</th>\n",
" <th>Lam(obs)</th>\n",
" <th>% Acc</th>\n",
" </tr>\n",
" </thead>\n",
" <tbody>\n",
" <tr>\n",
" <th>0</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>3s_3p2_4Pe[1/2]</td>\n",
" <td>5.741000e-06</td>\n",
" <td>7.023000e+03</td>\n",
" <td>2335.123</td>\n",
" <td>1</td>\n",
" <td>3</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>1</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>3s_3p2_4Pe[3/2]</td>\n",
" <td>3.564000e-08</td>\n",
" <td>2.191000e+01</td>\n",
" <td>2329.231</td>\n",
" <td>1</td>\n",
" <td>4</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>2</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>3s_3p2_2De[3/2]</td>\n",
" <td>7.638000e-04</td>\n",
" <td>7.793000e+05</td>\n",
" <td>1808.013</td>\n",
" <td>1</td>\n",
" <td>6</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>3</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>3s2_4s_2Se[1/2]</td>\n",
" <td>1.279000e-01</td>\n",
" <td>3.661000e+08</td>\n",
" <td>1526.707</td>\n",
" <td>1</td>\n",
" <td>8</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>3s_3p2_2Se[1/2]</td>\n",
" <td>1.062000e-01</td>\n",
" <td>4.162000e+08</td>\n",
" <td>1304.370</td>\n",
" <td>1</td>\n",
" <td>9</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>5</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>3s2_3d_2De[3/2]</td>\n",
" <td>1.449000e+00</td>\n",
" <td>3.041000e+09</td>\n",
" <td>1260.422</td>\n",
" <td>1</td>\n",
" <td>10</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>6</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>3s_3p2_2Pe[1/2]</td>\n",
" <td>5.942000e-01</td>\n",
" <td>2.784000e+09</td>\n",
" <td>1193.290</td>\n",
" <td>1</td>\n",
" <td>14</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>7</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>3s_3p2_2Pe[3/2]</td>\n",
" <td>2.844000e-01</td>\n",
" <td>6.694000e+08</td>\n",
" <td>1190.416</td>\n",
" <td>1</td>\n",
" <td>15</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>8</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>3s2_5s_2Se[1/2]</td>\n",
" <td>1.603000e-02</td>\n",
" <td>1.026000e+08</td>\n",
" <td>1020.699</td>\n",
" <td>1</td>\n",
" <td>16</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>9</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>3s2_4d_2De[3/2]</td>\n",
" <td>1.469000e-01</td>\n",
" <td>4.999000e+08</td>\n",
" <td>989.873</td>\n",
" <td>1</td>\n",
" <td>17</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>10</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>3s2_6s_2Se[1/2]</td>\n",
" <td>5.636000e-03</td>\n",
" <td>4.647000e+07</td>\n",
" <td>899.406</td>\n",
" <td>1</td>\n",
" <td>25</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>11</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>3s2_5d_2De[3/2]</td>\n",
" <td>2.667000e-02</td>\n",
" <td>1.124000e+08</td>\n",
" <td>889.723</td>\n",
" <td>1</td>\n",
" <td>26</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>12</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>3s2_7s_2Se[1/2]</td>\n",
" <td>2.661000e-03</td>\n",
" <td>2.467000e+07</td>\n",
" <td>848.070</td>\n",
" <td>1</td>\n",
" <td>41</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>13</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>3s2_6d_2De[3/2]</td>\n",
" <td>8.222000e-03</td>\n",
" <td>3.852000e+07</td>\n",
" <td>843.719</td>\n",
" <td>1</td>\n",
" <td>42</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>14</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>3s2_8s_2Se[1/2]</td>\n",
" <td>1.472000e-03</td>\n",
" <td>1.457000e+07</td>\n",
" <td>820.921</td>\n",
" <td>1</td>\n",
" <td>54</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>15</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>3s2_7d_2De[3/2]</td>\n",
" <td>3.412000e-03</td>\n",
" <td>1.698000e+07</td>\n",
" <td>818.575</td>\n",
" <td>1</td>\n",
" <td>55</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>16</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>3s2_9s_2Se[1/2]</td>\n",
" <td>8.994000e-04</td>\n",
" <td>9.266000e+06</td>\n",
" <td>804.656</td>\n",
" <td>1</td>\n",
" <td>68</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>17</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>3s2_8d_2De[3/2]</td>\n",
" <td>1.690000e-03</td>\n",
" <td>8.737000e+06</td>\n",
" <td>803.241</td>\n",
" <td>1</td>\n",
" <td>74</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>18</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>3s2_10s_2Se[1/2]</td>\n",
" <td>5.861000e-04</td>\n",
" <td>6.196000e+06</td>\n",
" <td>794.358</td>\n",
" <td>1</td>\n",
" <td>89</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>19</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>3s2_9d_2De[3/2]</td>\n",
" <td>9.375000e-04</td>\n",
" <td>4.967000e+06</td>\n",
" <td>793.416</td>\n",
" <td>1</td>\n",
" <td>90</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>20</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>3s2_11s_2Se[1/2]</td>\n",
" <td>3.981000e-04</td>\n",
" <td>4.286000e+06</td>\n",
" <td>787.073</td>\n",
" <td>1</td>\n",
" <td>105</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>21</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>3s2_10d_2De[3/2]</td>\n",
" <td>5.508000e-04</td>\n",
" <td>2.970000e+06</td>\n",
" <td>786.423</td>\n",
" <td>1</td>\n",
" <td>106</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>22</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>3s2_11d_2De</td>\n",
" <td>3.945000e-04</td>\n",
" <td>8.623000e+05</td>\n",
" <td>781.224</td>\n",
" <td>1</td>\n",
" <td>117</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>23</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>3s2_12w_2W</td>\n",
" <td>5.902000e-04</td>\n",
" <td>4.535000e+04</td>\n",
" <td>776.458</td>\n",
" <td>1</td>\n",
" <td>125</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>24</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>3s2_13w_2W</td>\n",
" <td>4.507000e-04</td>\n",
" <td>2.971000e+04</td>\n",
" <td>773.749</td>\n",
" <td>1</td>\n",
" <td>126</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>25</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>3s2_14w_2W</td>\n",
" <td>3.526000e-04</td>\n",
" <td>2.015000e+04</td>\n",
" <td>771.613</td>\n",
" <td>1</td>\n",
" <td>127</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>26</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>3s2_15w_2W</td>\n",
" <td>2.814000e-04</td>\n",
" <td>1.407000e+04</td>\n",
" <td>769.898</td>\n",
" <td>1</td>\n",
" <td>128</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>27</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>3s2_16w_2W</td>\n",
" <td>2.283000e-04</td>\n",
" <td>1.007000e+04</td>\n",
" <td>768.501</td>\n",
" <td>1</td>\n",
" <td>129</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>28</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>3s2_17w_2W</td>\n",
" <td>1.880000e-04</td>\n",
" <td>7.369000e+03</td>\n",
" <td>767.346</td>\n",
" <td>1</td>\n",
" <td>130</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>29</th>\n",
" <td>3s2_3p_2Po[1/2]</td>\n",
" <td>3s2_18w_2W</td>\n",
" <td>1.567000e-04</td>\n",
" <td>5.493000e+03</td>\n",
" <td>766.381</td>\n",
" <td>1</td>\n",
" <td>131</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>...</th>\n",
" <td>...</td>\n",
" <td>...</td>\n",
" <td>...</td>\n",
" <td>...</td>\n",
" <td>...</td>\n",
" <td>...</td>\n",
" <td>...</td>\n",
" <td>...</td>\n",
" <td>...</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4166</th>\n",
" <td>3s2_27w_2W</td>\n",
" <td>3s2_30w_2W</td>\n",
" <td>2.551000e-01</td>\n",
" <td>1.804000e+03</td>\n",
" <td>874100.000</td>\n",
" <td>140</td>\n",
" <td>143</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4167</th>\n",
" <td>3s2_28w_2W</td>\n",
" <td>3s2_29w_2W</td>\n",
" <td>5.627000e+00</td>\n",
" <td>5.038000e+03</td>\n",
" <td>2635000.000</td>\n",
" <td>141</td>\n",
" <td>142</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4168</th>\n",
" <td>3s2_28w_2W</td>\n",
" <td>3s2_30w_2W</td>\n",
" <td>8.159000e-01</td>\n",
" <td>2.469000e+03</td>\n",
" <td>1386000.000</td>\n",
" <td>141</td>\n",
" <td>143</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4169</th>\n",
" <td>3s2_29w_2W</td>\n",
" <td>3s2_30w_2W</td>\n",
" <td>5.817000e+00</td>\n",
" <td>4.245000e+03</td>\n",
" <td>2923000.000</td>\n",
" <td>142</td>\n",
" <td>143</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4170</th>\n",
" <td>3s_3p(3Po)3d_2Fo[5/2]</td>\n",
" <td>3s_3p(3Po)4p_4De[3/2]</td>\n",
" <td>6.681000e-08</td>\n",
" <td>2.284000e-03</td>\n",
" <td>541000.000</td>\n",
" <td>144</td>\n",
" <td>146</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4171</th>\n",
" <td>3s_3p(3Po)3d_2Fo[5/2]</td>\n",
" <td>3s_3p(3Po)4p_4De[5/2]</td>\n",
" <td>3.952000e-08</td>\n",
" <td>2.549000e-03</td>\n",
" <td>321600.000</td>\n",
" <td>144</td>\n",
" <td>148</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4172</th>\n",
" <td>3s_3p(3Po)3d_2Fo[5/2]</td>\n",
" <td>3s_3p(3Po)4p_4De[7/2]</td>\n",
" <td>4.930000e-10</td>\n",
" <td>5.806000e-05</td>\n",
" <td>206100.000</td>\n",
" <td>144</td>\n",
" <td>149</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4173</th>\n",
" <td>3s_3p(3Po)3d_2Fo[5/2]</td>\n",
" <td>3s_3p(3Po)4p_2Pe[3/2]</td>\n",
" <td>1.402000e-05</td>\n",
" <td>1.401000e+01</td>\n",
" <td>100100.000</td>\n",
" <td>144</td>\n",
" <td>151</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4174</th>\n",
" <td>3s_3p(3Po)3d_2Fo[5/2]</td>\n",
" <td>3s_3p(3Po)4p_4Pe[3/2]</td>\n",
" <td>1.462000e-06</td>\n",
" <td>8.437000e+00</td>\n",
" <td>41633.707</td>\n",
" <td>144</td>\n",
" <td>153</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4175</th>\n",
" <td>3s_3p(3Po)3d_2Fo[5/2]</td>\n",
" <td>3s_3p(3Po)4p_4Pe[5/2]</td>\n",
" <td>9.882000e-07</td>\n",
" <td>4.241000e+00</td>\n",
" <td>39423.937</td>\n",
" <td>144</td>\n",
" <td>154</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4176</th>\n",
" <td>3s_3p(3Po)3d_2Fo[5/2]</td>\n",
" <td>3s_3p(3Po)4p_4Se[3/2]</td>\n",
" <td>5.713000e-07</td>\n",
" <td>5.957000e+00</td>\n",
" <td>30977.207</td>\n",
" <td>144</td>\n",
" <td>155</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4177</th>\n",
" <td>3s_3p(3Po)4p_4De[1/2]</td>\n",
" <td>3p3_2Do[3/2]</td>\n",
" <td>6.251000e-04</td>\n",
" <td>2.581000e+03</td>\n",
" <td>28420.394</td>\n",
" <td>145</td>\n",
" <td>157</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4178</th>\n",
" <td>3s_3p(3Po)4p_4De[3/2]</td>\n",
" <td>3p3_2Do[5/2]</td>\n",
" <td>2.483000e-04</td>\n",
" <td>1.303000e+03</td>\n",
" <td>29108.946</td>\n",
" <td>146</td>\n",
" <td>156</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4179</th>\n",
" <td>3s_3p(3Po)4p_4De[3/2]</td>\n",
" <td>3p3_2Do[3/2]</td>\n",
" <td>2.799000e-05</td>\n",
" <td>2.211000e+02</td>\n",
" <td>29056.506</td>\n",
" <td>146</td>\n",
" <td>157</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4180</th>\n",
" <td>3s_3p(3Po)3d_2Fo[7/2]</td>\n",
" <td>3s_3p(3Po)4p_4De[5/2]</td>\n",
" <td>8.911000e-08</td>\n",
" <td>3.800000e-04</td>\n",
" <td>1444000.000</td>\n",
" <td>147</td>\n",
" <td>148</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4181</th>\n",
" <td>3s_3p(3Po)3d_2Fo[7/2]</td>\n",
" <td>3s_3p(3Po)4p_4De[7/2]</td>\n",
" <td>4.976000e-09</td>\n",
" <td>1.968000e-04</td>\n",
" <td>410700.000</td>\n",
" <td>147</td>\n",
" <td>149</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4182</th>\n",
" <td>3s_3p(3Po)3d_2Fo[7/2]</td>\n",
" <td>3s_3p(3Po)4p_4Pe[5/2]</td>\n",
" <td>1.415000e-05</td>\n",
" <td>6.630000e+01</td>\n",
" <td>43576.213</td>\n",
" <td>147</td>\n",
" <td>154</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4183</th>\n",
" <td>3s_3p(3Po)4p_4De[5/2]</td>\n",
" <td>3p3_2Do[5/2]</td>\n",
" <td>9.973000e-08</td>\n",
" <td>7.285000e-01</td>\n",
" <td>30218.327</td>\n",
" <td>148</td>\n",
" <td>156</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4184</th>\n",
" <td>3s_3p(3Po)4p_4De[5/2]</td>\n",
" <td>3p3_2Do[3/2]</td>\n",
" <td>2.896000e-08</td>\n",
" <td>3.185000e-01</td>\n",
" <td>30161.818</td>\n",
" <td>148</td>\n",
" <td>157</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4185</th>\n",
" <td>3s_3p(3Po)4p_4De[7/2]</td>\n",
" <td>3p3_2Do[5/2]</td>\n",
" <td>3.697000e-08</td>\n",
" <td>3.232000e-01</td>\n",
" <td>31897.825</td>\n",
" <td>149</td>\n",
" <td>156</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4186</th>\n",
" <td>3s_3p(3Po)4p_2Pe[1/2]</td>\n",
" <td>3p3_2Do[3/2]</td>\n",
" <td>3.396000e-02</td>\n",
" <td>8.327000e+04</td>\n",
" <td>36881.316</td>\n",
" <td>150</td>\n",
" <td>157</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4187</th>\n",
" <td>3s_3p(3Po)4p_2Pe[3/2]</td>\n",
" <td>3p3_2Do[5/2]</td>\n",
" <td>2.937000e-02</td>\n",
" <td>8.973000e+04</td>\n",
" <td>38151.921</td>\n",
" <td>151</td>\n",
" <td>156</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4188</th>\n",
" <td>3s_3p(3Po)4p_2Pe[3/2]</td>\n",
" <td>3p3_2Do[3/2]</td>\n",
" <td>2.930000e-03</td>\n",
" <td>1.349000e+04</td>\n",
" <td>38061.889</td>\n",
" <td>151</td>\n",
" <td>157</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4189</th>\n",
" <td>3s_3p(3Po)4p_4Pe[1/2]</td>\n",
" <td>3p3_2Do[3/2]</td>\n",
" <td>5.520000e-06</td>\n",
" <td>3.048000e+00</td>\n",
" <td>77724.234</td>\n",
" <td>152</td>\n",
" <td>157</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4190</th>\n",
" <td>3s_3p(3Po)4p_4Pe[3/2]</td>\n",
" <td>3p3_2Do[5/2]</td>\n",
" <td>2.065000e-05</td>\n",
" <td>1.363000e+01</td>\n",
" <td>82081.589</td>\n",
" <td>153</td>\n",
" <td>156</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4191</th>\n",
" <td>3s_3p(3Po)4p_4Pe[3/2]</td>\n",
" <td>3p3_2Do[3/2]</td>\n",
" <td>3.250000e-06</td>\n",
" <td>3.251000e+00</td>\n",
" <td>81665.986</td>\n",
" <td>153</td>\n",
" <td>157</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4192</th>\n",
" <td>3s_3p(3Po)4p_4Pe[5/2]</td>\n",
" <td>3p3_2Do[5/2]</td>\n",
" <td>6.605000e-07</td>\n",
" <td>5.173000e-01</td>\n",
" <td>92279.015</td>\n",
" <td>154</td>\n",
" <td>156</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4193</th>\n",
" <td>3s_3p(3Po)4p_4Pe[5/2]</td>\n",
" <td>3p3_2Do[3/2]</td>\n",
" <td>4.129000e-08</td>\n",
" <td>4.907000e-02</td>\n",
" <td>91754.062</td>\n",
" <td>154</td>\n",
" <td>157</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4194</th>\n",
" <td>3s_3p(3Po)4p_4Se[3/2]</td>\n",
" <td>3p3_2Do[5/2]</td>\n",
" <td>7.673000e-06</td>\n",
" <td>5.243000e-01</td>\n",
" <td>255100.000</td>\n",
" <td>155</td>\n",
" <td>156</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" <tr>\n",
" <th>4195</th>\n",
" <td>3s_3p(3Po)4p_4Se[3/2]</td>\n",
" <td>3p3_2Do[3/2]</td>\n",
" <td>6.744000e-07</td>\n",
" <td>7.134000e-02</td>\n",
" <td>251100.000</td>\n",
" <td>155</td>\n",
" <td>157</td>\n",
" <td>NaN</td>\n",
" <td>NaN</td>\n",
" </tr>\n",
" </tbody>\n",
"</table>\n",
"<p>4196 rows × 9 columns</p>\n",
"</div>"
],
"text/plain": [
" State A State B f \\\n",
"0 3s2_3p_2Po[1/2] 3s_3p2_4Pe[1/2] 5.741000e-06 \n",
"1 3s2_3p_2Po[1/2] 3s_3p2_4Pe[3/2] 3.564000e-08 \n",
"2 3s2_3p_2Po[1/2] 3s_3p2_2De[3/2] 7.638000e-04 \n",
"3 3s2_3p_2Po[1/2] 3s2_4s_2Se[1/2] 1.279000e-01 \n",
"4 3s2_3p_2Po[1/2] 3s_3p2_2Se[1/2] 1.062000e-01 \n",
"5 3s2_3p_2Po[1/2] 3s2_3d_2De[3/2] 1.449000e+00 \n",
"6 3s2_3p_2Po[1/2] 3s_3p2_2Pe[1/2] 5.942000e-01 \n",
"7 3s2_3p_2Po[1/2] 3s_3p2_2Pe[3/2] 2.844000e-01 \n",
"8 3s2_3p_2Po[1/2] 3s2_5s_2Se[1/2] 1.603000e-02 \n",
"9 3s2_3p_2Po[1/2] 3s2_4d_2De[3/2] 1.469000e-01 \n",
"10 3s2_3p_2Po[1/2] 3s2_6s_2Se[1/2] 5.636000e-03 \n",
"11 3s2_3p_2Po[1/2] 3s2_5d_2De[3/2] 2.667000e-02 \n",
"12 3s2_3p_2Po[1/2] 3s2_7s_2Se[1/2] 2.661000e-03 \n",
"13 3s2_3p_2Po[1/2] 3s2_6d_2De[3/2] 8.222000e-03 \n",
"14 3s2_3p_2Po[1/2] 3s2_8s_2Se[1/2] 1.472000e-03 \n",
"15 3s2_3p_2Po[1/2] 3s2_7d_2De[3/2] 3.412000e-03 \n",
"16 3s2_3p_2Po[1/2] 3s2_9s_2Se[1/2] 8.994000e-04 \n",
"17 3s2_3p_2Po[1/2] 3s2_8d_2De[3/2] 1.690000e-03 \n",
"18 3s2_3p_2Po[1/2] 3s2_10s_2Se[1/2] 5.861000e-04 \n",
"19 3s2_3p_2Po[1/2] 3s2_9d_2De[3/2] 9.375000e-04 \n",
"20 3s2_3p_2Po[1/2] 3s2_11s_2Se[1/2] 3.981000e-04 \n",
"21 3s2_3p_2Po[1/2] 3s2_10d_2De[3/2] 5.508000e-04 \n",
"22 3s2_3p_2Po[1/2] 3s2_11d_2De 3.945000e-04 \n",
"23 3s2_3p_2Po[1/2] 3s2_12w_2W 5.902000e-04 \n",
"24 3s2_3p_2Po[1/2] 3s2_13w_2W 4.507000e-04 \n",
"25 3s2_3p_2Po[1/2] 3s2_14w_2W 3.526000e-04 \n",
"26 3s2_3p_2Po[1/2] 3s2_15w_2W 2.814000e-04 \n",
"27 3s2_3p_2Po[1/2] 3s2_16w_2W 2.283000e-04 \n",
"28 3s2_3p_2Po[1/2] 3s2_17w_2W 1.880000e-04 \n",
"29 3s2_3p_2Po[1/2] 3s2_18w_2W 1.567000e-04 \n",
"... ... ... ... \n",
"4166 3s2_27w_2W 3s2_30w_2W 2.551000e-01 \n",
"4167 3s2_28w_2W 3s2_29w_2W 5.627000e+00 \n",
"4168 3s2_28w_2W 3s2_30w_2W 8.159000e-01 \n",
"4169 3s2_29w_2W 3s2_30w_2W 5.817000e+00 \n",
"4170 3s_3p(3Po)3d_2Fo[5/2] 3s_3p(3Po)4p_4De[3/2] 6.681000e-08 \n",
"4171 3s_3p(3Po)3d_2Fo[5/2] 3s_3p(3Po)4p_4De[5/2] 3.952000e-08 \n",
"4172 3s_3p(3Po)3d_2Fo[5/2] 3s_3p(3Po)4p_4De[7/2] 4.930000e-10 \n",
"4173 3s_3p(3Po)3d_2Fo[5/2] 3s_3p(3Po)4p_2Pe[3/2] 1.402000e-05 \n",
"4174 3s_3p(3Po)3d_2Fo[5/2] 3s_3p(3Po)4p_4Pe[3/2] 1.462000e-06 \n",
"4175 3s_3p(3Po)3d_2Fo[5/2] 3s_3p(3Po)4p_4Pe[5/2] 9.882000e-07 \n",
"4176 3s_3p(3Po)3d_2Fo[5/2] 3s_3p(3Po)4p_4Se[3/2] 5.713000e-07 \n",
"4177 3s_3p(3Po)4p_4De[1/2] 3p3_2Do[3/2] 6.251000e-04 \n",
"4178 3s_3p(3Po)4p_4De[3/2] 3p3_2Do[5/2] 2.483000e-04 \n",
"4179 3s_3p(3Po)4p_4De[3/2] 3p3_2Do[3/2] 2.799000e-05 \n",
"4180 3s_3p(3Po)3d_2Fo[7/2] 3s_3p(3Po)4p_4De[5/2] 8.911000e-08 \n",
"4181 3s_3p(3Po)3d_2Fo[7/2] 3s_3p(3Po)4p_4De[7/2] 4.976000e-09 \n",
"4182 3s_3p(3Po)3d_2Fo[7/2] 3s_3p(3Po)4p_4Pe[5/2] 1.415000e-05 \n",
"4183 3s_3p(3Po)4p_4De[5/2] 3p3_2Do[5/2] 9.973000e-08 \n",
"4184 3s_3p(3Po)4p_4De[5/2] 3p3_2Do[3/2] 2.896000e-08 \n",
"4185 3s_3p(3Po)4p_4De[7/2] 3p3_2Do[5/2] 3.697000e-08 \n",
"4186 3s_3p(3Po)4p_2Pe[1/2] 3p3_2Do[3/2] 3.396000e-02 \n",
"4187 3s_3p(3Po)4p_2Pe[3/2] 3p3_2Do[5/2] 2.937000e-02 \n",
"4188 3s_3p(3Po)4p_2Pe[3/2] 3p3_2Do[3/2] 2.930000e-03 \n",
"4189 3s_3p(3Po)4p_4Pe[1/2] 3p3_2Do[3/2] 5.520000e-06 \n",
"4190 3s_3p(3Po)4p_4Pe[3/2] 3p3_2Do[5/2] 2.065000e-05 \n",
"4191 3s_3p(3Po)4p_4Pe[3/2] 3p3_2Do[3/2] 3.250000e-06 \n",
"4192 3s_3p(3Po)4p_4Pe[5/2] 3p3_2Do[5/2] 6.605000e-07 \n",
"4193 3s_3p(3Po)4p_4Pe[5/2] 3p3_2Do[3/2] 4.129000e-08 \n",
"4194 3s_3p(3Po)4p_4Se[3/2] 3p3_2Do[5/2] 7.673000e-06 \n",
"4195 3s_3p(3Po)4p_4Se[3/2] 3p3_2Do[3/2] 6.744000e-07 \n",
"\n",
" A Lam(A) i j Lam(obs) % Acc \n",
"0 7.023000e+03 2335.123 1 3 NaN NaN \n",
"1 2.191000e+01 2329.231 1 4 NaN NaN \n",
"2 7.793000e+05 1808.013 1 6 NaN NaN \n",
"3 3.661000e+08 1526.707 1 8 NaN NaN \n",
"4 4.162000e+08 1304.370 1 9 NaN NaN \n",
"5 3.041000e+09 1260.422 1 10 NaN NaN \n",
"6 2.784000e+09 1193.290 1 14 NaN NaN \n",
"7 6.694000e+08 1190.416 1 15 NaN NaN \n",
"8 1.026000e+08 1020.699 1 16 NaN NaN \n",
"9 4.999000e+08 989.873 1 17 NaN NaN \n",
"10 4.647000e+07 899.406 1 25 NaN NaN \n",
"11 1.124000e+08 889.723 1 26 NaN NaN \n",
"12 2.467000e+07 848.070 1 41 NaN NaN \n",
"13 3.852000e+07 843.719 1 42 NaN NaN \n",
"14 1.457000e+07 820.921 1 54 NaN NaN \n",
"15 1.698000e+07 818.575 1 55 NaN NaN \n",
"16 9.266000e+06 804.656 1 68 NaN NaN \n",
"17 8.737000e+06 803.241 1 74 NaN NaN \n",
"18 6.196000e+06 794.358 1 89 NaN NaN \n",
"19 4.967000e+06 793.416 1 90 NaN NaN \n",
"20 4.286000e+06 787.073 1 105 NaN NaN \n",
"21 2.970000e+06 786.423 1 106 NaN NaN \n",
"22 8.623000e+05 781.224 1 117 NaN NaN \n",
"23 4.535000e+04 776.458 1 125 NaN NaN \n",
"24 2.971000e+04 773.749 1 126 NaN NaN \n",
"25 2.015000e+04 771.613 1 127 NaN NaN \n",
"26 1.407000e+04 769.898 1 128 NaN NaN \n",
"27 1.007000e+04 768.501 1 129 NaN NaN \n",
"28 7.369000e+03 767.346 1 130 NaN NaN \n",
"29 5.493000e+03 766.381 1 131 NaN NaN \n",
"... ... ... ... ... ... ... \n",
"4166 1.804000e+03 874100.000 140 143 NaN NaN \n",
"4167 5.038000e+03 2635000.000 141 142 NaN NaN \n",
"4168 2.469000e+03 1386000.000 141 143 NaN NaN \n",
"4169 4.245000e+03 2923000.000 142 143 NaN NaN \n",
"4170 2.284000e-03 541000.000 144 146 NaN NaN \n",
"4171 2.549000e-03 321600.000 144 148 NaN NaN \n",
"4172 5.806000e-05 206100.000 144 149 NaN NaN \n",
"4173 1.401000e+01 100100.000 144 151 NaN NaN \n",
"4174 8.437000e+00 41633.707 144 153 NaN NaN \n",
"4175 4.241000e+00 39423.937 144 154 NaN NaN \n",
"4176 5.957000e+00 30977.207 144 155 NaN NaN \n",
"4177 2.581000e+03 28420.394 145 157 NaN NaN \n",
"4178 1.303000e+03 29108.946 146 156 NaN NaN \n",
"4179 2.211000e+02 29056.506 146 157 NaN NaN \n",
"4180 3.800000e-04 1444000.000 147 148 NaN NaN \n",
"4181 1.968000e-04 410700.000 147 149 NaN NaN \n",
"4182 6.630000e+01 43576.213 147 154 NaN NaN \n",
"4183 7.285000e-01 30218.327 148 156 NaN NaN \n",
"4184 3.185000e-01 30161.818 148 157 NaN NaN \n",
"4185 3.232000e-01 31897.825 149 156 NaN NaN \n",
"4186 8.327000e+04 36881.316 150 157 NaN NaN \n",
"4187 8.973000e+04 38151.921 151 156 NaN NaN \n",
"4188 1.349000e+04 38061.889 151 157 NaN NaN \n",
"4189 3.048000e+00 77724.234 152 157 NaN NaN \n",
"4190 1.363000e+01 82081.589 153 156 NaN NaN \n",
"4191 3.251000e+00 81665.986 153 157 NaN NaN \n",
"4192 5.173000e-01 92279.015 154 156 NaN NaN \n",
"4193 4.907000e-02 91754.062 154 157 NaN NaN \n",
"4194 5.243000e-01 255100.000 155 156 NaN NaN \n",
"4195 7.134000e-02 251100.000 155 157 NaN NaN \n",
"\n",
"[4196 rows x 9 columns]"
]
},
"execution_count": 16,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"# FIXME: This dataframe has an extra empty column\n",
"oscillator_strengths.iloc[:,:-1]"
]
}
],
"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": "3.7.3"
}
},
"nbformat": 4,
"nbformat_minor": 2
}
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