Extract_data-simple-hanwen2.ipynb

{
 "cells": [
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Extract data from .sol files"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Use this if you are using the Wilkens function mode 2 to extract <a> loop (phase 0) and <c> loop (phase 1) densities"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "This workbook is an example of how the extractDataDir function can be used to extract physical paramaters from a folder a .sol files. "
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Import stuff"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 114,
   "metadata": {},
   "outputs": [],
   "source": [
    "import pandas as pd\n",
    "import numpy as np\n",
    "from src.cmwp_tools import extractDataDir\n",
    "import matplotlib.pyplot as plt\n",
    "%matplotlib qt5\n",
    "\n",
    "import mplcursors\n",
    "\n",
    "from src.cmwp_tools import extractDataDir\n",
    "from src.xrd_tools import addLabels"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Extract data from solution files"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "This code extracts data from CMWP .sol files"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 115,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Parsing 39 solution files...\n",
      "Parsed 36 solution files succesfully                                                                \n",
      "\"*** END\" not present in 3                                                                     \n",
      "Done!\n"
     ]
    }
   ],
   "source": [
    "directory = '/home/hanwen/CMWP-211102/hanwen/'\n",
    "\n",
    "df = extractDataDir(directory + '*/*.sol', calcLoop=False, calcLattice=False)\n",
    "\n",
    "df = df[df.columns.drop(list(df.filter(regex='_1')))]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 116,
   "metadata": {},
   "outputs": [],
   "source": [
    "samples = pd.read_csv('/home/rhys/Documents/samples.txt', delimiter='\\t')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 117,
   "metadata": {},
   "outputs": [],
   "source": [
    "df['pass'] = df['filename'].map(dict(zip(samples.Sample, samples['Pass'])))\n",
    "df['coldroll'] = df['filename'].map(dict(zip(samples.Sample, samples['Cold Rolling'])))\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 118,
   "metadata": {
    "scrolled": true
   },
   "outputs": [
    {
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       "      <td>[111, 200, 220, 311, 222, 400, 331, 420, 422]</td>\n",
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       "      <td>[38.5905, 44.8213, 65.2058, 78.3401, 82.5174, ...</td>\n",
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       "      <td>25.4667</td>\n",
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       "      <td>NaN</td>\n",
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       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>0.412078</td>\n",
       "      <td>0.012445</td>\n",
       "      <td>0.403012</td>\n",
       "      <td>163.963000</td>\n",
       "      <td>66.077089</td>\n",
       "      <td>82.473389</td>\n",
       "      <td>0.092256</td>\n",
       "      <td>0.042345</td>\n",
       "      <td>0.151300</td>\n",
       "      <td>5.468080</td>\n",
       "      <td>...</td>\n",
       "      <td>0.428343</td>\n",
       "      <td>A41</td>\n",
       "      <td>[6.84676, 38.1428, 27.8491, 10.72, 0.231248, 1...</td>\n",
       "      <td>[111, 200, 220, 311, 222, 400, 331, 420, 422, ...</td>\n",
       "      <td>[0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1]</td>\n",
       "      <td>[38.5807, 44.8172, 65.2019, 78.3335, 82.5181, ...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>37.8647</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
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       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>0.662900</td>\n",
       "      <td>0.260520</td>\n",
       "      <td>0.307586</td>\n",
       "      <td>191.103000</td>\n",
       "      <td>65.930535</td>\n",
       "      <td>128.421216</td>\n",
       "      <td>0.057747</td>\n",
       "      <td>0.008027</td>\n",
       "      <td>0.048219</td>\n",
       "      <td>6.026840</td>\n",
       "      <td>...</td>\n",
       "      <td>0.325554</td>\n",
       "      <td>A51</td>\n",
       "      <td>[6.73566, 39.8629, 29.3549, 10.9826, 0.278542,...</td>\n",
       "      <td>[111, 200, 220, 311, 222, 400, 331, 420, 422, ...</td>\n",
       "      <td>[0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1]</td>\n",
       "      <td>[38.5753, 44.8148, 65.1995, 78.3278, 82.4889, ...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>34.6937</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
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       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>0.400000</td>\n",
       "      <td>0.002144</td>\n",
       "      <td>0.224400</td>\n",
       "      <td>237.872000</td>\n",
       "      <td>94.673056</td>\n",
       "      <td>240.250720</td>\n",
       "      <td>0.191596</td>\n",
       "      <td>0.105186</td>\n",
       "      <td>0.333377</td>\n",
       "      <td>1.565330</td>\n",
       "      <td>...</td>\n",
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       "      <td>[111, 200, 220, 311, 222, 400, 331, 420, 422]</td>\n",
       "      <td>[0, 0, 0, 0, 0, 0, 0, 0, 0]</td>\n",
       "      <td>[38.5644, 44.7815, 65.1532, 78.2872, 82.4804, ...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>29.1350</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
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       "    <tr>\n",
       "      <th>5</th>\n",
       "      <td>0.400000</td>\n",
       "      <td>0.000992</td>\n",
       "      <td>0.231600</td>\n",
       "      <td>1822.710000</td>\n",
       "      <td>1037.121990</td>\n",
       "      <td>176.985141</td>\n",
       "      <td>0.050000</td>\n",
       "      <td>0.047200</td>\n",
       "      <td>0.003120</td>\n",
       "      <td>6.886610</td>\n",
       "      <td>...</td>\n",
       "      <td>3.508972</td>\n",
       "      <td>B21</td>\n",
       "      <td>[8.80346, 29.5764, 19.143, 7.99537, 0.385233, ...</td>\n",
       "      <td>[111, 200, 220, 311, 222, 400, 331, 420, 422]</td>\n",
       "      <td>[0, 0, 0, 0, 0, 0, 0, 0, 0]</td>\n",
       "      <td>[38.5729, 44.7993, 65.1692, 78.2813, 82.4831, ...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>14.4004</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
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       "    <tr>\n",
       "      <th>6</th>\n",
       "      <td>0.400000</td>\n",
       "      <td>0.000372</td>\n",
       "      <td>0.203200</td>\n",
       "      <td>353.881000</td>\n",
       "      <td>142.260162</td>\n",
       "      <td>240.639080</td>\n",
       "      <td>0.071785</td>\n",
       "      <td>0.004652</td>\n",
       "      <td>0.077527</td>\n",
       "      <td>1.847180</td>\n",
       "      <td>...</td>\n",
       "      <td>2.886829</td>\n",
       "      <td>B31</td>\n",
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       "      <td>[0, 0, 0, 0, 0, 0, 0, 0, 0]</td>\n",
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       "      <td>37.0808</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
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       "    <tr>\n",
       "      <th>7</th>\n",
       "      <td>0.400000</td>\n",
       "      <td>0.000660</td>\n",
       "      <td>0.208800</td>\n",
       "      <td>670.871000</td>\n",
       "      <td>409.231310</td>\n",
       "      <td>346.840307</td>\n",
       "      <td>0.050000</td>\n",
       "      <td>0.026300</td>\n",
       "      <td>0.018850</td>\n",
       "      <td>4.332010</td>\n",
       "      <td>...</td>\n",
       "      <td>0.366200</td>\n",
       "      <td>B41</td>\n",
       "      <td>[14.6019, 49.6116, 28.1148, 11.037, 0.529386, ...</td>\n",
       "      <td>[111, 200, 220, 311, 222, 400, 331, 420, 422]</td>\n",
       "      <td>[0, 0, 0, 0, 0, 0, 0, 0, 0]</td>\n",
       "      <td>[38.5991, 44.8217, 65.2074, 78.3414, 82.534, 9...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>33.2556</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>8</th>\n",
       "      <td>0.400000</td>\n",
       "      <td>0.001196</td>\n",
       "      <td>0.158000</td>\n",
       "      <td>357.013000</td>\n",
       "      <td>140.306109</td>\n",
       "      <td>242.411827</td>\n",
       "      <td>0.066218</td>\n",
       "      <td>0.016886</td>\n",
       "      <td>0.030328</td>\n",
       "      <td>4.820310</td>\n",
       "      <td>...</td>\n",
       "      <td>0.198012</td>\n",
       "      <td>B51</td>\n",
       "      <td>[13.9712, 50.8604, 31.4641, 11.9822, 0.527065,...</td>\n",
       "      <td>[111, 200, 220, 311, 222, 400, 331, 420, 422]</td>\n",
       "      <td>[0, 0, 0, 0, 0, 0, 0, 0, 0]</td>\n",
       "      <td>[38.6012, 44.824, 65.2056, 78.3381, 82.5478, 9...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>31.0746</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>9</th>\n",
       "      <td>1.300000</td>\n",
       "      <td>0.556400</td>\n",
       "      <td>0.000281</td>\n",
       "      <td>27.177400</td>\n",
       "      <td>10.626363</td>\n",
       "      <td>28.536270</td>\n",
       "      <td>0.381310</td>\n",
       "      <td>0.238319</td>\n",
       "      <td>0.122782</td>\n",
       "      <td>7.193510</td>\n",
       "      <td>...</td>\n",
       "      <td>17.918374</td>\n",
       "      <td>C11</td>\n",
       "      <td>[1.57745, 8.95197, 27.3251, 9.32889, 0.105514,...</td>\n",
       "      <td>[111, 200, 220, 311, 222, 400, 331, 420, 422]</td>\n",
       "      <td>[0, 0, 0, 0, 0, 0, 0, 0, 0]</td>\n",
       "      <td>[38.7808, 44.9913, 65.3498, 78.4639, 82.7062, ...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>17.0984</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>10</th>\n",
       "      <td>0.855617</td>\n",
       "      <td>0.341391</td>\n",
       "      <td>0.432942</td>\n",
       "      <td>59.165600</td>\n",
       "      <td>7.573197</td>\n",
       "      <td>14.199744</td>\n",
       "      <td>0.085557</td>\n",
       "      <td>0.008034</td>\n",
       "      <td>0.094969</td>\n",
       "      <td>10.316400</td>\n",
       "      <td>...</td>\n",
       "      <td>0.126457</td>\n",
       "      <td>C31</td>\n",
       "      <td>[1.80748, 11.8792, 47.6035, 11.3261, 0.103434,...</td>\n",
       "      <td>[111, 200, 220, 311, 222, 400, 331, 420, 422]</td>\n",
       "      <td>[0, 0, 0, 0, 0, 0, 0, 0, 0]</td>\n",
       "      <td>[38.592, 44.8117, 65.1961, 78.3204, 82.5582, 9...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>26.9793</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>11</th>\n",
       "      <td>0.400000</td>\n",
       "      <td>0.008960</td>\n",
       "      <td>0.190000</td>\n",
       "      <td>49.272500</td>\n",
       "      <td>12.958668</td>\n",
       "      <td>12.268852</td>\n",
       "      <td>0.173576</td>\n",
       "      <td>0.003107</td>\n",
       "      <td>0.397489</td>\n",
       "      <td>1.710290</td>\n",
       "      <td>...</td>\n",
       "      <td>1.508359</td>\n",
       "      <td>C41</td>\n",
       "      <td>[1.75131, 9.40862, 56.6642, 10.438, 0.0703682,...</td>\n",
       "      <td>[111, 200, 220, 311, 222, 400, 331, 420, 422]</td>\n",
       "      <td>[0, 0, 0, 0, 0, 0, 0, 0, 0]</td>\n",
       "      <td>[38.578, 44.8058, 65.189, 78.3134, 82.5888, 99...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>27.8782</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>12</th>\n",
       "      <td>0.400000</td>\n",
       "      <td>0.257600</td>\n",
       "      <td>0.000290</td>\n",
       "      <td>64.754900</td>\n",
       "      <td>15.929705</td>\n",
       "      <td>26.355244</td>\n",
       "      <td>0.050000</td>\n",
       "      <td>0.004545</td>\n",
       "      <td>0.045350</td>\n",
       "      <td>2.369110</td>\n",
       "      <td>...</td>\n",
       "      <td>7.269178</td>\n",
       "      <td>C51</td>\n",
       "      <td>[1.79263, 10.9227, 47.4885, 10.9852, 0.110491,...</td>\n",
       "      <td>[111, 200, 220, 311, 222, 400, 331, 420, 422]</td>\n",
       "      <td>[0, 0, 0, 0, 0, 0, 0, 0, 0]</td>\n",
       "      <td>[38.5951, 44.8252, 65.2061, 78.3285, 82.5575, ...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>27.0775</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13</th>\n",
       "      <td>1.234890</td>\n",
       "      <td>0.674250</td>\n",
       "      <td>0.003853</td>\n",
       "      <td>0.100830</td>\n",
       "      <td>0.023292</td>\n",
       "      <td>0.135112</td>\n",
       "      <td>1.500000</td>\n",
       "      <td>1.060500</td>\n",
       "      <td>0.354000</td>\n",
       "      <td>10.588100</td>\n",
       "      <td>...</td>\n",
       "      <td>6.030497</td>\n",
       "      <td>D11</td>\n",
       "      <td>[1.03072, 10.3933, 41.7463, 8.55362, 0.001977,...</td>\n",
       "      <td>[111, 200, 220, 311, 222, 400, 331, 420, 422]</td>\n",
       "      <td>[0, 0, 0, 0, 0, 0, 0, 0, 0]</td>\n",
       "      <td>[38.5941, 44.811, 65.2021, 78.3188, 82.4958, 9...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>19.8884</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>14</th>\n",
       "      <td>1.272510</td>\n",
       "      <td>0.009824</td>\n",
       "      <td>1.245787</td>\n",
       "      <td>31.856700</td>\n",
       "      <td>6.658050</td>\n",
       "      <td>10.608281</td>\n",
       "      <td>0.435121</td>\n",
       "      <td>0.207553</td>\n",
       "      <td>0.639628</td>\n",
       "      <td>8.876920</td>\n",
       "      <td>...</td>\n",
       "      <td>0.218783</td>\n",
       "      <td>D21</td>\n",
       "      <td>[0.966514, 11.699, 50.681, 9.71532, 0.0330157,...</td>\n",
       "      <td>[111, 200, 220, 311, 222, 400, 331, 420, 422]</td>\n",
       "      <td>[0, 0, 0, 0, 0, 0, 0, 0, 0]</td>\n",
       "      <td>[38.5724, 44.8089, 65.202, 78.3208, 82.5311, 9...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>25.2105</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>15</th>\n",
       "      <td>1.151950</td>\n",
       "      <td>0.665827</td>\n",
       "      <td>0.014399</td>\n",
       "      <td>9.153260</td>\n",
       "      <td>3.469086</td>\n",
       "      <td>18.489585</td>\n",
       "      <td>0.852436</td>\n",
       "      <td>0.328188</td>\n",
       "      <td>0.148324</td>\n",
       "      <td>6.375350</td>\n",
       "      <td>...</td>\n",
       "      <td>5.142215</td>\n",
       "      <td>D31</td>\n",
       "      <td>[1.19318, 10.6379, 49.0668, 10.4929, 0.0888296...</td>\n",
       "      <td>[111, 200, 220, 311, 222, 400, 331, 420, 422]</td>\n",
       "      <td>[0, 0, 0, 0, 0, 0, 0, 0, 0]</td>\n",
       "      <td>[38.5828, 44.8141, 65.1996, 78.3194, 82.589, 9...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>22.6421</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>16</th>\n",
       "      <td>0.721308</td>\n",
       "      <td>0.005439</td>\n",
       "      <td>0.757373</td>\n",
       "      <td>0.824473</td>\n",
       "      <td>0.152528</td>\n",
       "      <td>8.492072</td>\n",
       "      <td>1.281600</td>\n",
       "      <td>0.927878</td>\n",
       "      <td>0.092532</td>\n",
       "      <td>3.627790</td>\n",
       "      <td>...</td>\n",
       "      <td>3.918140</td>\n",
       "      <td>D41</td>\n",
       "      <td>[0.994687, 12.0907, 47.1552, 11.0597, 0.405204...</td>\n",
       "      <td>[111, 200, 220, 311, 400, 331, 420, 422]</td>\n",
       "      <td>[0, 0, 0, 0, 0, 0, 0, 0]</td>\n",
       "      <td>[38.5817, 44.8153, 65.2056, 78.3298, 99.1398, ...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>23.2653</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>17</th>\n",
       "      <td>0.577428</td>\n",
       "      <td>0.001819</td>\n",
       "      <td>0.453281</td>\n",
       "      <td>0.618202</td>\n",
       "      <td>0.199061</td>\n",
       "      <td>1.632053</td>\n",
       "      <td>1.322550</td>\n",
       "      <td>0.347831</td>\n",
       "      <td>0.156061</td>\n",
       "      <td>4.045320</td>\n",
       "      <td>...</td>\n",
       "      <td>2.850204</td>\n",
       "      <td>D51</td>\n",
       "      <td>[1.0521, 13.6378, 39.1579, 13.3302, 0.108765, ...</td>\n",
       "      <td>[111, 200, 220, 311, 222, 400, 331, 420, 422]</td>\n",
       "      <td>[0, 0, 0, 0, 0, 0, 0, 0, 0]</td>\n",
       "      <td>[38.5804, 44.8125, 65.194, 78.3188, 82.5113, 9...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>23.4371</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>18</th>\n",
       "      <td>0.757469</td>\n",
       "      <td>0.431000</td>\n",
       "      <td>0.285566</td>\n",
       "      <td>4.741580</td>\n",
       "      <td>1.455665</td>\n",
       "      <td>20.625873</td>\n",
       "      <td>0.965310</td>\n",
       "      <td>0.806999</td>\n",
       "      <td>0.168929</td>\n",
       "      <td>7.689300</td>\n",
       "      <td>...</td>\n",
       "      <td>1.657245</td>\n",
       "      <td>E11</td>\n",
       "      <td>[3.20697, 12.1158, 37.4377, 9.766, 0.150001, 0...</td>\n",
       "      <td>[111, 200, 220, 311, 222, 400, 331, 420, 422]</td>\n",
       "      <td>[0, 0, 0, 0, 0, 0, 0, 0, 0]</td>\n",
       "      <td>[38.5727, 44.7757, 65.165, 78.2774, 82.4612, 9...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>19.3980</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>19</th>\n",
       "      <td>0.400000</td>\n",
       "      <td>0.000596</td>\n",
       "      <td>0.165200</td>\n",
       "      <td>4.429010</td>\n",
       "      <td>1.483718</td>\n",
       "      <td>9.123761</td>\n",
       "      <td>1.000450</td>\n",
       "      <td>0.313141</td>\n",
       "      <td>0.146066</td>\n",
       "      <td>2.428030</td>\n",
       "      <td>...</td>\n",
       "      <td>10.332162</td>\n",
       "      <td>E21</td>\n",
       "      <td>[3.45473, 11.4998, 38.5837, 11.087, 0.171759, ...</td>\n",
       "      <td>[111, 200, 220, 311, 222, 400, 331, 420, 422]</td>\n",
       "      <td>[0, 0, 0, 0, 0, 0, 0, 0, 0]</td>\n",
       "      <td>[38.5886, 44.8126, 65.1873, 78.3157, 82.519, 9...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>20.5686</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>20</th>\n",
       "      <td>0.400000</td>\n",
       "      <td>0.162800</td>\n",
       "      <td>0.260000</td>\n",
       "      <td>47.863700</td>\n",
       "      <td>21.490801</td>\n",
       "      <td>21.682256</td>\n",
       "      <td>0.251284</td>\n",
       "      <td>0.121621</td>\n",
       "      <td>0.261335</td>\n",
       "      <td>2.085070</td>\n",
       "      <td>...</td>\n",
       "      <td>1.775574</td>\n",
       "      <td>E31</td>\n",
       "      <td>[2.86793, 10.3206, 43.0094, 10.8583, 0.156981,...</td>\n",
       "      <td>[111, 200, 220, 311, 222, 400, 331, 420, 422]</td>\n",
       "      <td>[0, 0, 0, 0, 0, 0, 0, 0, 0]</td>\n",
       "      <td>[38.5782, 44.8058, 65.1884, 78.3133, 82.5026, ...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>26.4275</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>21</th>\n",
       "      <td>0.400000</td>\n",
       "      <td>0.003436</td>\n",
       "      <td>0.262800</td>\n",
       "      <td>0.402839</td>\n",
       "      <td>0.041895</td>\n",
       "      <td>0.999041</td>\n",
       "      <td>1.371930</td>\n",
       "      <td>0.322404</td>\n",
       "      <td>0.047606</td>\n",
       "      <td>2.674880</td>\n",
       "      <td>...</td>\n",
       "      <td>2.769355</td>\n",
       "      <td>E41</td>\n",
       "      <td>[3.12067, 8.67602, 48.6373, 9.51278, 0.122574,...</td>\n",
       "      <td>[111, 200, 220, 311, 222, 400, 331, 420, 422]</td>\n",
       "      <td>[0, 0, 0, 0, 0, 0, 0, 0, 0]</td>\n",
       "      <td>[38.5845, 44.8207, 65.2036, 78.3248, 82.5035, ...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>25.5049</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>22</th>\n",
       "      <td>0.400000</td>\n",
       "      <td>0.001864</td>\n",
       "      <td>0.668000</td>\n",
       "      <td>6.580450</td>\n",
       "      <td>3.421834</td>\n",
       "      <td>2.520312</td>\n",
       "      <td>0.891902</td>\n",
       "      <td>0.123082</td>\n",
       "      <td>0.203354</td>\n",
       "      <td>1.707270</td>\n",
       "      <td>...</td>\n",
       "      <td>0.518389</td>\n",
       "      <td>E51</td>\n",
       "      <td>[3.2684, 11.4115, 44.3692, 11.0465, 0.153003, ...</td>\n",
       "      <td>[111, 200, 220, 311, 222, 400, 331, 420, 422]</td>\n",
       "      <td>[0, 0, 0, 0, 0, 0, 0, 0, 0]</td>\n",
       "      <td>[38.5842, 44.8153, 65.1985, 78.3233, 82.5277, ...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>26.8259</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>23</th>\n",
       "      <td>1.025770</td>\n",
       "      <td>0.374406</td>\n",
       "      <td>0.260546</td>\n",
       "      <td>447.638000</td>\n",
       "      <td>337.519052</td>\n",
       "      <td>6.401223</td>\n",
       "      <td>1.500000</td>\n",
       "      <td>0.370500</td>\n",
       "      <td>0.001472</td>\n",
       "      <td>0.774658</td>\n",
       "      <td>...</td>\n",
       "      <td>0.394122</td>\n",
       "      <td>F1</td>\n",
       "      <td>[322.35, 623.697, 217.269, 100.431, 17.8177, 3...</td>\n",
       "      <td>[111, 200, 220, 311, 222, 400, 331, 420, 110, ...</td>\n",
       "      <td>[0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1]</td>\n",
       "      <td>[38.519, 44.7411, 65.1061, 78.2122, 82.4171, 9...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>210.3710</td>\n",
       "      <td>ST</td>\n",
       "      <td>5.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>24</th>\n",
       "      <td>0.554860</td>\n",
       "      <td>0.151477</td>\n",
       "      <td>0.214731</td>\n",
       "      <td>144.917000</td>\n",
       "      <td>54.054041</td>\n",
       "      <td>57.821883</td>\n",
       "      <td>0.607879</td>\n",
       "      <td>0.117929</td>\n",
       "      <td>0.169598</td>\n",
       "      <td>5.981610</td>\n",
       "      <td>...</td>\n",
       "      <td>0.432934</td>\n",
       "      <td>F2</td>\n",
       "      <td>[71.0061, 309.379, 228.377, 88.3119, 2.88024, ...</td>\n",
       "      <td>[111, 200, 220, 311, 222, 400, 331, 420, 110, ...</td>\n",
       "      <td>[0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1]</td>\n",
       "      <td>[38.5115, 44.7234, 65.0961, 78.2279, 82.4146, ...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>59.7392</td>\n",
       "      <td>ST</td>\n",
       "      <td>10.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>25</th>\n",
       "      <td>0.400000</td>\n",
       "      <td>0.000074</td>\n",
       "      <td>0.139200</td>\n",
       "      <td>240.916000</td>\n",
       "      <td>85.043348</td>\n",
       "      <td>66.492816</td>\n",
       "      <td>1.034300</td>\n",
       "      <td>0.336147</td>\n",
       "      <td>0.290638</td>\n",
       "      <td>4.471860</td>\n",
       "      <td>...</td>\n",
       "      <td>0.068380</td>\n",
       "      <td>F3</td>\n",
       "      <td>[121.553, 428.628, 261.308, 93.2514, 5.18807, ...</td>\n",
       "      <td>[111, 200, 220, 311, 222, 400, 331, 420, 110, ...</td>\n",
       "      <td>[0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1]</td>\n",
       "      <td>[38.522, 44.7442, 65.1087, 78.2219, 82.4178, 9...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>94.1293</td>\n",
       "      <td>ST</td>\n",
       "      <td>15.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>26</th>\n",
       "      <td>0.400000</td>\n",
       "      <td>0.000024</td>\n",
       "      <td>0.158400</td>\n",
       "      <td>203.559000</td>\n",
       "      <td>54.960930</td>\n",
       "      <td>98.522556</td>\n",
       "      <td>0.996677</td>\n",
       "      <td>0.221262</td>\n",
       "      <td>0.315947</td>\n",
       "      <td>4.674310</td>\n",
       "      <td>...</td>\n",
       "      <td>0.100484</td>\n",
       "      <td>F4</td>\n",
       "      <td>[136.462, 413.157, 221.576, 90.6684, 5.68133, ...</td>\n",
       "      <td>[111, 200, 220, 311, 222, 400, 331, 420, 110, ...</td>\n",
       "      <td>[0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1]</td>\n",
       "      <td>[38.5187, 44.7394, 65.0993, 78.2141, 82.4125, ...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>108.1310</td>\n",
       "      <td>ST</td>\n",
       "      <td>20.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>27</th>\n",
       "      <td>0.830075</td>\n",
       "      <td>0.214159</td>\n",
       "      <td>0.223290</td>\n",
       "      <td>109.452000</td>\n",
       "      <td>20.358072</td>\n",
       "      <td>46.079292</td>\n",
       "      <td>0.331818</td>\n",
       "      <td>0.131068</td>\n",
       "      <td>0.098550</td>\n",
       "      <td>9.210430</td>\n",
       "      <td>...</td>\n",
       "      <td>0.074460</td>\n",
       "      <td>F5</td>\n",
       "      <td>[21.0095, 90.7644, 319.423, 157.07, 1.46194, 3...</td>\n",
       "      <td>[111, 200, 220, 311, 222, 400, 331, 420, 110, ...</td>\n",
       "      <td>[0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1]</td>\n",
       "      <td>[38.5206, 44.7303, 65.1005, 78.2104, 82.4492, ...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>83.3889</td>\n",
       "      <td>ST</td>\n",
       "      <td>50.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>28</th>\n",
       "      <td>0.944870</td>\n",
       "      <td>0.153069</td>\n",
       "      <td>0.155904</td>\n",
       "      <td>76.100000</td>\n",
       "      <td>33.027400</td>\n",
       "      <td>1.255650</td>\n",
       "      <td>0.213445</td>\n",
       "      <td>0.004055</td>\n",
       "      <td>0.052507</td>\n",
       "      <td>16.232100</td>\n",
       "      <td>...</td>\n",
       "      <td>0.268049</td>\n",
       "      <td>F6</td>\n",
       "      <td>[34.1522, 105.395, 292.516, 84.0775, 1.87489, ...</td>\n",
       "      <td>[111, 200, 220, 311, 222, 400, 331, 420, 110, ...</td>\n",
       "      <td>[0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1]</td>\n",
       "      <td>[38.5322, 44.7324, 65.1131, 78.2264, 82.442, 9...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>75.3268</td>\n",
       "      <td>ST</td>\n",
       "      <td>72.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>29</th>\n",
       "      <td>1.251090</td>\n",
       "      <td>0.227698</td>\n",
       "      <td>0.049293</td>\n",
       "      <td>178.635000</td>\n",
       "      <td>42.336495</td>\n",
       "      <td>121.114530</td>\n",
       "      <td>1.096920</td>\n",
       "      <td>0.406957</td>\n",
       "      <td>0.386116</td>\n",
       "      <td>5.304640</td>\n",
       "      <td>...</td>\n",
       "      <td>0.307306</td>\n",
       "      <td>G1</td>\n",
       "      <td>[290.36, 617.778, 153.236, 75.1525, 13.1387, 2...</td>\n",
       "      <td>[111, 200, 220, 311, 222, 400, 331, 420, 110, ...</td>\n",
       "      <td>[0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1]</td>\n",
       "      <td>[38.5219, 44.7364, 65.1079, 78.2167, 82.4338, ...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>149.0970</td>\n",
       "      <td>4PA</td>\n",
       "      <td>5.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>30</th>\n",
       "      <td>1.152350</td>\n",
       "      <td>0.182071</td>\n",
       "      <td>0.142891</td>\n",
       "      <td>265.890000</td>\n",
       "      <td>63.281820</td>\n",
       "      <td>100.506420</td>\n",
       "      <td>0.163228</td>\n",
       "      <td>0.055498</td>\n",
       "      <td>0.063006</td>\n",
       "      <td>9.592360</td>\n",
       "      <td>...</td>\n",
       "      <td>0.261448</td>\n",
       "      <td>G2</td>\n",
       "      <td>[133.176, 387.964, 187.367, 62.2587, 5.08674, ...</td>\n",
       "      <td>[111, 200, 220, 311, 222, 400, 331, 420, 110, ...</td>\n",
       "      <td>[0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1]</td>\n",
       "      <td>[38.535, 44.7587, 65.1328, 78.2484, 82.4286, 9...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>75.8868</td>\n",
       "      <td>4PA</td>\n",
       "      <td>10.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>31</th>\n",
       "      <td>1.015710</td>\n",
       "      <td>0.121885</td>\n",
       "      <td>0.118838</td>\n",
       "      <td>257.738000</td>\n",
       "      <td>36.083320</td>\n",
       "      <td>83.764850</td>\n",
       "      <td>0.050000</td>\n",
       "      <td>0.000530</td>\n",
       "      <td>0.017550</td>\n",
       "      <td>8.742720</td>\n",
       "      <td>...</td>\n",
       "      <td>0.212380</td>\n",
       "      <td>G3</td>\n",
       "      <td>[96.6781, 379.321, 195.078, 69.8752, 3.84267, ...</td>\n",
       "      <td>[111, 200, 220, 311, 222, 400, 331, 420, 110, ...</td>\n",
       "      <td>[0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1]</td>\n",
       "      <td>[38.6015, 44.8194, 65.1939, 78.3228, 82.4899, ...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>87.8539</td>\n",
       "      <td>4PA</td>\n",
       "      <td>15.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>32</th>\n",
       "      <td>1.133450</td>\n",
       "      <td>0.235758</td>\n",
       "      <td>0.164350</td>\n",
       "      <td>181.664000</td>\n",
       "      <td>39.784416</td>\n",
       "      <td>53.590880</td>\n",
       "      <td>0.050000</td>\n",
       "      <td>0.007200</td>\n",
       "      <td>0.025950</td>\n",
       "      <td>9.880840</td>\n",
       "      <td>...</td>\n",
       "      <td>0.264221</td>\n",
       "      <td>G4</td>\n",
       "      <td>[105.988, 346.971, 185.577, 65.8567, 3.9975, 1...</td>\n",
       "      <td>[111, 200, 220, 311, 222, 400, 331, 420, 110, ...</td>\n",
       "      <td>[0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1]</td>\n",
       "      <td>[38.5297, 44.7509, 65.1301, 78.2545, 82.4322, ...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>103.1770</td>\n",
       "      <td>4PA</td>\n",
       "      <td>20.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>33</th>\n",
       "      <td>1.300000</td>\n",
       "      <td>0.124800</td>\n",
       "      <td>0.000112</td>\n",
       "      <td>65.698600</td>\n",
       "      <td>6.103400</td>\n",
       "      <td>10.971666</td>\n",
       "      <td>0.050000</td>\n",
       "      <td>0.000224</td>\n",
       "      <td>0.020700</td>\n",
       "      <td>18.171800</td>\n",
       "      <td>...</td>\n",
       "      <td>0.076321</td>\n",
       "      <td>G5</td>\n",
       "      <td>[15.1379, 124.069, 263.794, 94.198, 1.18245, 4...</td>\n",
       "      <td>[111, 200, 220, 311, 222, 400, 331, 420, 110, ...</td>\n",
       "      <td>[0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1]</td>\n",
       "      <td>[38.5334, 44.7491, 65.1378, 78.258, 82.4404, 9...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>63.7615</td>\n",
       "      <td>4PA</td>\n",
       "      <td>50.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>34</th>\n",
       "      <td>1.300000</td>\n",
       "      <td>0.065130</td>\n",
       "      <td>0.000009</td>\n",
       "      <td>6.134890</td>\n",
       "      <td>0.693243</td>\n",
       "      <td>1.245383</td>\n",
       "      <td>0.917070</td>\n",
       "      <td>0.038058</td>\n",
       "      <td>0.020909</td>\n",
       "      <td>18.043700</td>\n",
       "      <td>...</td>\n",
       "      <td>0.048035</td>\n",
       "      <td>G6</td>\n",
       "      <td>[8.21357, 88.6348, 324.045, 78.7652, 3.00195, ...</td>\n",
       "      <td>[111, 200, 220, 311, 400, 331, 420, 110, 011, ...</td>\n",
       "      <td>[0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1]</td>\n",
       "      <td>[38.5368, 44.7496, 65.1399, 78.2567, 99.0354, ...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>75.2411</td>\n",
       "      <td>4PA</td>\n",
       "      <td>72.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>35</th>\n",
       "      <td>1.300000</td>\n",
       "      <td>0.127920</td>\n",
       "      <td>0.000020</td>\n",
       "      <td>18.636700</td>\n",
       "      <td>4.379625</td>\n",
       "      <td>0.555374</td>\n",
       "      <td>0.689118</td>\n",
       "      <td>0.041278</td>\n",
       "      <td>0.092342</td>\n",
       "      <td>15.323800</td>\n",
       "      <td>...</td>\n",
       "      <td>0.240752</td>\n",
       "      <td>H6</td>\n",
       "      <td>[16.6035, 78.6855, 367.422, 78.6213, 2.68604, ...</td>\n",
       "      <td>[111, 200, 220, 311, 400, 331, 420, 110, 011, ...</td>\n",
       "      <td>[0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1]</td>\n",
       "      <td>[38.5496, 44.7551, 65.1446, 78.2564, 99.0361, ...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>70.6822</td>\n",
       "      <td>1PA</td>\n",
       "      <td>72.0</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>36 rows × 24 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "           a     a_neg     a_pos            b        b_neg       b_pos  \\\n",
       "0   0.400000  0.011320  0.560000    51.965200    11.068588   21.981280   \n",
       "1   0.400000  0.000012  0.178000   132.067000    31.167812   49.657192   \n",
       "2   0.412078  0.012445  0.403012   163.963000    66.077089   82.473389   \n",
       "3   0.662900  0.260520  0.307586   191.103000    65.930535  128.421216   \n",
       "4   0.400000  0.002144  0.224400   237.872000    94.673056  240.250720   \n",
       "5   0.400000  0.000992  0.231600  1822.710000  1037.121990  176.985141   \n",
       "6   0.400000  0.000372  0.203200   353.881000   142.260162  240.639080   \n",
       "7   0.400000  0.000660  0.208800   670.871000   409.231310  346.840307   \n",
       "8   0.400000  0.001196  0.158000   357.013000   140.306109  242.411827   \n",
       "9   1.300000  0.556400  0.000281    27.177400    10.626363   28.536270   \n",
       "10  0.855617  0.341391  0.432942    59.165600     7.573197   14.199744   \n",
       "11  0.400000  0.008960  0.190000    49.272500    12.958668   12.268852   \n",
       "12  0.400000  0.257600  0.000290    64.754900    15.929705   26.355244   \n",
       "13  1.234890  0.674250  0.003853     0.100830     0.023292    0.135112   \n",
       "14  1.272510  0.009824  1.245787    31.856700     6.658050   10.608281   \n",
       "15  1.151950  0.665827  0.014399     9.153260     3.469086   18.489585   \n",
       "16  0.721308  0.005439  0.757373     0.824473     0.152528    8.492072   \n",
       "17  0.577428  0.001819  0.453281     0.618202     0.199061    1.632053   \n",
       "18  0.757469  0.431000  0.285566     4.741580     1.455665   20.625873   \n",
       "19  0.400000  0.000596  0.165200     4.429010     1.483718    9.123761   \n",
       "20  0.400000  0.162800  0.260000    47.863700    21.490801   21.682256   \n",
       "21  0.400000  0.003436  0.262800     0.402839     0.041895    0.999041   \n",
       "22  0.400000  0.001864  0.668000     6.580450     3.421834    2.520312   \n",
       "23  1.025770  0.374406  0.260546   447.638000   337.519052    6.401223   \n",
       "24  0.554860  0.151477  0.214731   144.917000    54.054041   57.821883   \n",
       "25  0.400000  0.000074  0.139200   240.916000    85.043348   66.492816   \n",
       "26  0.400000  0.000024  0.158400   203.559000    54.960930   98.522556   \n",
       "27  0.830075  0.214159  0.223290   109.452000    20.358072   46.079292   \n",
       "28  0.944870  0.153069  0.155904    76.100000    33.027400    1.255650   \n",
       "29  1.251090  0.227698  0.049293   178.635000    42.336495  121.114530   \n",
       "30  1.152350  0.182071  0.142891   265.890000    63.281820  100.506420   \n",
       "31  1.015710  0.121885  0.118838   257.738000    36.083320   83.764850   \n",
       "32  1.133450  0.235758  0.164350   181.664000    39.784416   53.590880   \n",
       "33  1.300000  0.124800  0.000112    65.698600     6.103400   10.971666   \n",
       "34  1.300000  0.065130  0.000009     6.134890     0.693243    1.245383   \n",
       "35  1.300000  0.127920  0.000020    18.636700     4.379625    0.555374   \n",
       "\n",
       "           c     c_neg     c_pos          d  ...      e_pos  filename  \\\n",
       "0   0.574259  0.000970  2.635849   4.119580  ...   0.775354       A21   \n",
       "1   0.083913  0.039523  0.044893   5.845520  ...   0.470794       A31   \n",
       "2   0.092256  0.042345  0.151300   5.468080  ...   0.428343       A41   \n",
       "3   0.057747  0.008027  0.048219   6.026840  ...   0.325554       A51   \n",
       "4   0.191596  0.105186  0.333377   1.565330  ...   2.146370       B11   \n",
       "5   0.050000  0.047200  0.003120   6.886610  ...   3.508972       B21   \n",
       "6   0.071785  0.004652  0.077527   1.847180  ...   2.886829       B31   \n",
       "7   0.050000  0.026300  0.018850   4.332010  ...   0.366200       B41   \n",
       "8   0.066218  0.016886  0.030328   4.820310  ...   0.198012       B51   \n",
       "9   0.381310  0.238319  0.122782   7.193510  ...  17.918374       C11   \n",
       "10  0.085557  0.008034  0.094969  10.316400  ...   0.126457       C31   \n",
       "11  0.173576  0.003107  0.397489   1.710290  ...   1.508359       C41   \n",
       "12  0.050000  0.004545  0.045350   2.369110  ...   7.269178       C51   \n",
       "13  1.500000  1.060500  0.354000  10.588100  ...   6.030497       D11   \n",
       "14  0.435121  0.207553  0.639628   8.876920  ...   0.218783       D21   \n",
       "15  0.852436  0.328188  0.148324   6.375350  ...   5.142215       D31   \n",
       "16  1.281600  0.927878  0.092532   3.627790  ...   3.918140       D41   \n",
       "17  1.322550  0.347831  0.156061   4.045320  ...   2.850204       D51   \n",
       "18  0.965310  0.806999  0.168929   7.689300  ...   1.657245       E11   \n",
       "19  1.000450  0.313141  0.146066   2.428030  ...  10.332162       E21   \n",
       "20  0.251284  0.121621  0.261335   2.085070  ...   1.775574       E31   \n",
       "21  1.371930  0.322404  0.047606   2.674880  ...   2.769355       E41   \n",
       "22  0.891902  0.123082  0.203354   1.707270  ...   0.518389       E51   \n",
       "23  1.500000  0.370500  0.001472   0.774658  ...   0.394122        F1   \n",
       "24  0.607879  0.117929  0.169598   5.981610  ...   0.432934        F2   \n",
       "25  1.034300  0.336147  0.290638   4.471860  ...   0.068380        F3   \n",
       "26  0.996677  0.221262  0.315947   4.674310  ...   0.100484        F4   \n",
       "27  0.331818  0.131068  0.098550   9.210430  ...   0.074460        F5   \n",
       "28  0.213445  0.004055  0.052507  16.232100  ...   0.268049        F6   \n",
       "29  1.096920  0.406957  0.386116   5.304640  ...   0.307306        G1   \n",
       "30  0.163228  0.055498  0.063006   9.592360  ...   0.261448        G2   \n",
       "31  0.050000  0.000530  0.017550   8.742720  ...   0.212380        G3   \n",
       "32  0.050000  0.007200  0.025950   9.880840  ...   0.264221        G4   \n",
       "33  0.050000  0.000224  0.020700  18.171800  ...   0.076321        G5   \n",
       "34  0.917070  0.038058  0.020909  18.043700  ...   0.048035        G6   \n",
       "35  0.689118  0.041278  0.092342  15.323800  ...   0.240752        H6   \n",
       "\n",
       "                                             peak_int  \\\n",
       "0   [6.42499, 35.7813, 28.3813, 10.4419, 0.226467,...   \n",
       "1   [8.11297, 35.5826, 27.6342, 10.0904, 0.339163,...   \n",
       "2   [6.84676, 38.1428, 27.8491, 10.72, 0.231248, 1...   \n",
       "3   [6.73566, 39.8629, 29.3549, 10.9826, 0.278542,...   \n",
       "4   [13.8524, 46.8874, 29.4745, 11.1616, 0.511331,...   \n",
       "5   [8.80346, 29.5764, 19.143, 7.99537, 0.385233, ...   \n",
       "6   [13.2906, 50.8229, 26.5988, 10.7835, 0.50091, ...   \n",
       "7   [14.6019, 49.6116, 28.1148, 11.037, 0.529386, ...   \n",
       "8   [13.9712, 50.8604, 31.4641, 11.9822, 0.527065,...   \n",
       "9   [1.57745, 8.95197, 27.3251, 9.32889, 0.105514,...   \n",
       "10  [1.80748, 11.8792, 47.6035, 11.3261, 0.103434,...   \n",
       "11  [1.75131, 9.40862, 56.6642, 10.438, 0.0703682,...   \n",
       "12  [1.79263, 10.9227, 47.4885, 10.9852, 0.110491,...   \n",
       "13  [1.03072, 10.3933, 41.7463, 8.55362, 0.001977,...   \n",
       "14  [0.966514, 11.699, 50.681, 9.71532, 0.0330157,...   \n",
       "15  [1.19318, 10.6379, 49.0668, 10.4929, 0.0888296...   \n",
       "16  [0.994687, 12.0907, 47.1552, 11.0597, 0.405204...   \n",
       "17  [1.0521, 13.6378, 39.1579, 13.3302, 0.108765, ...   \n",
       "18  [3.20697, 12.1158, 37.4377, 9.766, 0.150001, 0...   \n",
       "19  [3.45473, 11.4998, 38.5837, 11.087, 0.171759, ...   \n",
       "20  [2.86793, 10.3206, 43.0094, 10.8583, 0.156981,...   \n",
       "21  [3.12067, 8.67602, 48.6373, 9.51278, 0.122574,...   \n",
       "22  [3.2684, 11.4115, 44.3692, 11.0465, 0.153003, ...   \n",
       "23  [322.35, 623.697, 217.269, 100.431, 17.8177, 3...   \n",
       "24  [71.0061, 309.379, 228.377, 88.3119, 2.88024, ...   \n",
       "25  [121.553, 428.628, 261.308, 93.2514, 5.18807, ...   \n",
       "26  [136.462, 413.157, 221.576, 90.6684, 5.68133, ...   \n",
       "27  [21.0095, 90.7644, 319.423, 157.07, 1.46194, 3...   \n",
       "28  [34.1522, 105.395, 292.516, 84.0775, 1.87489, ...   \n",
       "29  [290.36, 617.778, 153.236, 75.1525, 13.1387, 2...   \n",
       "30  [133.176, 387.964, 187.367, 62.2587, 5.08674, ...   \n",
       "31  [96.6781, 379.321, 195.078, 69.8752, 3.84267, ...   \n",
       "32  [105.988, 346.971, 185.577, 65.8567, 3.9975, 1...   \n",
       "33  [15.1379, 124.069, 263.794, 94.198, 1.18245, 4...   \n",
       "34  [8.21357, 88.6348, 324.045, 78.7652, 3.00195, ...   \n",
       "35  [16.6035, 78.6855, 367.422, 78.6213, 2.68604, ...   \n",
       "\n",
       "                                           peak_names  \\\n",
       "0       [111, 200, 220, 311, 222, 400, 331, 420, 422]   \n",
       "1       [111, 200, 220, 311, 222, 400, 331, 420, 422]   \n",
       "2   [111, 200, 220, 311, 222, 400, 331, 420, 422, ...   \n",
       "3   [111, 200, 220, 311, 222, 400, 331, 420, 422, ...   \n",
       "4       [111, 200, 220, 311, 222, 400, 331, 420, 422]   \n",
       "5       [111, 200, 220, 311, 222, 400, 331, 420, 422]   \n",
       "6       [111, 200, 220, 311, 222, 400, 331, 420, 422]   \n",
       "7       [111, 200, 220, 311, 222, 400, 331, 420, 422]   \n",
       "8       [111, 200, 220, 311, 222, 400, 331, 420, 422]   \n",
       "9       [111, 200, 220, 311, 222, 400, 331, 420, 422]   \n",
       "10      [111, 200, 220, 311, 222, 400, 331, 420, 422]   \n",
       "11      [111, 200, 220, 311, 222, 400, 331, 420, 422]   \n",
       "12      [111, 200, 220, 311, 222, 400, 331, 420, 422]   \n",
       "13      [111, 200, 220, 311, 222, 400, 331, 420, 422]   \n",
       "14      [111, 200, 220, 311, 222, 400, 331, 420, 422]   \n",
       "15      [111, 200, 220, 311, 222, 400, 331, 420, 422]   \n",
       "16           [111, 200, 220, 311, 400, 331, 420, 422]   \n",
       "17      [111, 200, 220, 311, 222, 400, 331, 420, 422]   \n",
       "18      [111, 200, 220, 311, 222, 400, 331, 420, 422]   \n",
       "19      [111, 200, 220, 311, 222, 400, 331, 420, 422]   \n",
       "20      [111, 200, 220, 311, 222, 400, 331, 420, 422]   \n",
       "21      [111, 200, 220, 311, 222, 400, 331, 420, 422]   \n",
       "22      [111, 200, 220, 311, 222, 400, 331, 420, 422]   \n",
       "23  [111, 200, 220, 311, 222, 400, 331, 420, 110, ...   \n",
       "24  [111, 200, 220, 311, 222, 400, 331, 420, 110, ...   \n",
       "25  [111, 200, 220, 311, 222, 400, 331, 420, 110, ...   \n",
       "26  [111, 200, 220, 311, 222, 400, 331, 420, 110, ...   \n",
       "27  [111, 200, 220, 311, 222, 400, 331, 420, 110, ...   \n",
       "28  [111, 200, 220, 311, 222, 400, 331, 420, 110, ...   \n",
       "29  [111, 200, 220, 311, 222, 400, 331, 420, 110, ...   \n",
       "30  [111, 200, 220, 311, 222, 400, 331, 420, 110, ...   \n",
       "31  [111, 200, 220, 311, 222, 400, 331, 420, 110, ...   \n",
       "32  [111, 200, 220, 311, 222, 400, 331, 420, 110, ...   \n",
       "33  [111, 200, 220, 311, 222, 400, 331, 420, 110, ...   \n",
       "34  [111, 200, 220, 311, 400, 331, 420, 110, 011, ...   \n",
       "35  [111, 200, 220, 311, 400, 331, 420, 110, 011, ...   \n",
       "\n",
       "                                       peak_phase  \\\n",
       "0                     [0, 0, 0, 0, 0, 0, 0, 0, 0]   \n",
       "1                     [0, 0, 0, 0, 0, 0, 0, 0, 0]   \n",
       "2      [0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1]   \n",
       "3      [0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1]   \n",
       "4                     [0, 0, 0, 0, 0, 0, 0, 0, 0]   \n",
       "5                     [0, 0, 0, 0, 0, 0, 0, 0, 0]   \n",
       "6                     [0, 0, 0, 0, 0, 0, 0, 0, 0]   \n",
       "7                     [0, 0, 0, 0, 0, 0, 0, 0, 0]   \n",
       "8                     [0, 0, 0, 0, 0, 0, 0, 0, 0]   \n",
       "9                     [0, 0, 0, 0, 0, 0, 0, 0, 0]   \n",
       "10                    [0, 0, 0, 0, 0, 0, 0, 0, 0]   \n",
       "11                    [0, 0, 0, 0, 0, 0, 0, 0, 0]   \n",
       "12                    [0, 0, 0, 0, 0, 0, 0, 0, 0]   \n",
       "13                    [0, 0, 0, 0, 0, 0, 0, 0, 0]   \n",
       "14                    [0, 0, 0, 0, 0, 0, 0, 0, 0]   \n",
       "15                    [0, 0, 0, 0, 0, 0, 0, 0, 0]   \n",
       "16                       [0, 0, 0, 0, 0, 0, 0, 0]   \n",
       "17                    [0, 0, 0, 0, 0, 0, 0, 0, 0]   \n",
       "18                    [0, 0, 0, 0, 0, 0, 0, 0, 0]   \n",
       "19                    [0, 0, 0, 0, 0, 0, 0, 0, 0]   \n",
       "20                    [0, 0, 0, 0, 0, 0, 0, 0, 0]   \n",
       "21                    [0, 0, 0, 0, 0, 0, 0, 0, 0]   \n",
       "22                    [0, 0, 0, 0, 0, 0, 0, 0, 0]   \n",
       "23  [0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1]   \n",
       "24  [0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1]   \n",
       "25  [0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1]   \n",
       "26  [0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1]   \n",
       "27  [0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1]   \n",
       "28  [0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1]   \n",
       "29  [0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1]   \n",
       "30  [0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1]   \n",
       "31  [0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1]   \n",
       "32  [0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1]   \n",
       "33  [0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1]   \n",
       "34     [0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1]   \n",
       "35     [0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1]   \n",
       "\n",
       "                                             peak_pos rhoIGS      wssr pass  \\\n",
       "0   [38.5855, 44.8193, 65.203, 78.3362, 82.4886, 9...    0.0   43.9402  NaN   \n",
       "1   [38.5905, 44.8213, 65.2058, 78.3401, 82.5174, ...    0.0   25.4667  NaN   \n",
       "2   [38.5807, 44.8172, 65.2019, 78.3335, 82.5181, ...    0.0   37.8647  NaN   \n",
       "3   [38.5753, 44.8148, 65.1995, 78.3278, 82.4889, ...    0.0   34.6937  NaN   \n",
       "4   [38.5644, 44.7815, 65.1532, 78.2872, 82.4804, ...    0.0   29.1350  NaN   \n",
       "5   [38.5729, 44.7993, 65.1692, 78.2813, 82.4831, ...    0.0   14.4004  NaN   \n",
       "6   [38.5675, 44.7906, 65.1669, 78.2911, 82.4738, ...    0.0   37.0808  NaN   \n",
       "7   [38.5991, 44.8217, 65.2074, 78.3414, 82.534, 9...    0.0   33.2556  NaN   \n",
       "8   [38.6012, 44.824, 65.2056, 78.3381, 82.5478, 9...    0.0   31.0746  NaN   \n",
       "9   [38.7808, 44.9913, 65.3498, 78.4639, 82.7062, ...    0.0   17.0984  NaN   \n",
       "10  [38.592, 44.8117, 65.1961, 78.3204, 82.5582, 9...    0.0   26.9793  NaN   \n",
       "11  [38.578, 44.8058, 65.189, 78.3134, 82.5888, 99...    0.0   27.8782  NaN   \n",
       "12  [38.5951, 44.8252, 65.2061, 78.3285, 82.5575, ...    0.0   27.0775  NaN   \n",
       "13  [38.5941, 44.811, 65.2021, 78.3188, 82.4958, 9...    0.0   19.8884  NaN   \n",
       "14  [38.5724, 44.8089, 65.202, 78.3208, 82.5311, 9...    0.0   25.2105  NaN   \n",
       "15  [38.5828, 44.8141, 65.1996, 78.3194, 82.589, 9...    0.0   22.6421  NaN   \n",
       "16  [38.5817, 44.8153, 65.2056, 78.3298, 99.1398, ...    0.0   23.2653  NaN   \n",
       "17  [38.5804, 44.8125, 65.194, 78.3188, 82.5113, 9...    0.0   23.4371  NaN   \n",
       "18  [38.5727, 44.7757, 65.165, 78.2774, 82.4612, 9...    0.0   19.3980  NaN   \n",
       "19  [38.5886, 44.8126, 65.1873, 78.3157, 82.519, 9...    0.0   20.5686  NaN   \n",
       "20  [38.5782, 44.8058, 65.1884, 78.3133, 82.5026, ...    0.0   26.4275  NaN   \n",
       "21  [38.5845, 44.8207, 65.2036, 78.3248, 82.5035, ...    0.0   25.5049  NaN   \n",
       "22  [38.5842, 44.8153, 65.1985, 78.3233, 82.5277, ...    0.0   26.8259  NaN   \n",
       "23  [38.519, 44.7411, 65.1061, 78.2122, 82.4171, 9...    0.0  210.3710   ST   \n",
       "24  [38.5115, 44.7234, 65.0961, 78.2279, 82.4146, ...    0.0   59.7392   ST   \n",
       "25  [38.522, 44.7442, 65.1087, 78.2219, 82.4178, 9...    0.0   94.1293   ST   \n",
       "26  [38.5187, 44.7394, 65.0993, 78.2141, 82.4125, ...    0.0  108.1310   ST   \n",
       "27  [38.5206, 44.7303, 65.1005, 78.2104, 82.4492, ...    0.0   83.3889   ST   \n",
       "28  [38.5322, 44.7324, 65.1131, 78.2264, 82.442, 9...    0.0   75.3268   ST   \n",
       "29  [38.5219, 44.7364, 65.1079, 78.2167, 82.4338, ...    0.0  149.0970  4PA   \n",
       "30  [38.535, 44.7587, 65.1328, 78.2484, 82.4286, 9...    0.0   75.8868  4PA   \n",
       "31  [38.6015, 44.8194, 65.1939, 78.3228, 82.4899, ...    0.0   87.8539  4PA   \n",
       "32  [38.5297, 44.7509, 65.1301, 78.2545, 82.4322, ...    0.0  103.1770  4PA   \n",
       "33  [38.5334, 44.7491, 65.1378, 78.258, 82.4404, 9...    0.0   63.7615  4PA   \n",
       "34  [38.5368, 44.7496, 65.1399, 78.2567, 99.0354, ...    0.0   75.2411  4PA   \n",
       "35  [38.5496, 44.7551, 65.1446, 78.2564, 99.0361, ...    0.0   70.6822  1PA   \n",
       "\n",
       "   coldroll  \n",
       "0       NaN  \n",
       "1       NaN  \n",
       "2       NaN  \n",
       "3       NaN  \n",
       "4       NaN  \n",
       "5       NaN  \n",
       "6       NaN  \n",
       "7       NaN  \n",
       "8       NaN  \n",
       "9       NaN  \n",
       "10      NaN  \n",
       "11      NaN  \n",
       "12      NaN  \n",
       "13      NaN  \n",
       "14      NaN  \n",
       "15      NaN  \n",
       "16      NaN  \n",
       "17      NaN  \n",
       "18      NaN  \n",
       "19      NaN  \n",
       "20      NaN  \n",
       "21      NaN  \n",
       "22      NaN  \n",
       "23      5.0  \n",
       "24     10.0  \n",
       "25     15.0  \n",
       "26     20.0  \n",
       "27     50.0  \n",
       "28     72.0  \n",
       "29      5.0  \n",
       "30     10.0  \n",
       "31     15.0  \n",
       "32     20.0  \n",
       "33     50.0  \n",
       "34     72.0  \n",
       "35     72.0  \n",
       "\n",
       "[36 rows x 24 columns]"
      ]
     },
     "execution_count": 118,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 119,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "['ST' '4PA' '1PA']\n"
     ]
    }
   ],
   "source": [
    "passnames = df['pass'].unique()[1:]\n",
    "print(passnames)\n",
    "\n",
    "passcolours = ['r', 'g', 'b']"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Plot"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "This plots dislocation density, <a> loop fraction, M paramater and lattice paramaters as a function of depth from sample edge"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 125,
   "metadata": {},
   "outputs": [],
   "source": [
    "fig, axes = plt.subplots(2, 2, figsize=(20,14))\n",
    "fig.subplots_adjust(left=0.06, right=0.96, top=0.98, bottom=0.1, hspace=0.3, wspace = 0.35)\n",
    "axes = axes.ravel()\n",
    "\n",
    "\n",
    "# Common settings for all axes\n",
    "for sax in axes:\n",
    "    sax.tick_params(axis='both', which='major', labelsize=10)\n",
    "    sax.xaxis.set_ticks_position('both')\n",
    "    sax.set_xlabel('Cold Rolling [%]', fontsize=12)\n",
    "    sax.set_ylabel('', fontsize=12)\n",
    "\n",
    "\n",
    "for name, colour in zip(passnames, passcolours):\n",
    "    \n",
    "    df_s = df[df['pass'] == name]   # Filter data by pass column\n",
    "    \n",
    "    ########################################## dislocation density\n",
    "\n",
    "    axes[0].errorbar(x=df_s['coldroll'], y=df_s['d'], yerr = [df_s['d_neg'],df_s['d_pos']], \n",
    "                    marker='o',c=colour,  ms=5, lw=0, elinewidth=1, capsize=5, label=name)\n",
    "    axes[0].set_ylabel('Dislocation density [$10^{14} m^{-2}$]', fontsize=12)\n",
    "    axes[0].set_ylim(0, 25)\n",
    "\n",
    "    ########################################## m\n",
    "\n",
    "    axes[1].errorbar(x=df_s['coldroll'], y=np.exp(2)*df_s['e'], \n",
    "                     yerr = np.exp(2)*np.array([df_s['e_neg'],df_s['e_pos']]), \n",
    "                     marker='o',c=colour,  ms=5, lw=0, elinewidth=1, capsize=5, label=name)\n",
    "\n",
    "    axes[1].set_ylabel('$M$', fontsize=12)\n",
    "    axes[1].set_ylim(0)\n",
    "\n",
    "    ########################################## b\n",
    "    \n",
    "    axes[2].errorbar(x=df_s['coldroll'], y=df_s['b'], \n",
    "                     yerr = np.array([df_s['b_neg'],df_s['b_pos']]), \n",
    "                     marker='o',c=colour,  ms=5, lw=0, elinewidth=1, capsize=5, label=name)\n",
    "\n",
    "    axes[2].set_ylabel('$b$', fontsize=12)\n",
    "    axes[2].set_ylim(0)\n",
    "\n",
    "    ########################################## c\n",
    "    \n",
    "    axes[3].errorbar(x=df_s['coldroll'], y=df_s['c'], \n",
    "                     yerr = np.array([df_s['c_neg'],df_s['c_pos']]), \n",
    "                     marker='o',c=colour,  ms=5, lw=0, elinewidth=1, capsize=5, label=name)\n",
    "\n",
    "    axes[3].set_ylabel('$c$', fontsize=12)\n",
    "    axes[3].set_ylim(0)\n",
    "\n",
    "for sax in axes:\n",
    "    sax.legend(loc=1)\n",
    "    \n",
    "plt.show()\n",
    "\n",
    "\n",
    "    \n",
    "#fig.savefig('/home/rhys/Dropbox (Research Group)/BOR60.pdf', dpi=600)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": []
  }
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