titeseq bloom 2022.ipynb

{
 "cells": [
  {
   "cell_type": "markdown",
   "id": "ee6cf08e-4c43-45cf-884f-967862e2c51d",
   "metadata": {},
   "source": [
    "# define imports and get data"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 1,
   "id": "b25654c5-0be5-4aab-8431-10a08669fe12",
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "/sw/pkgs/arc/python3.9-anaconda/2021.11/lib/python3.9/site-packages/scipy/__init__.py:146: UserWarning: A NumPy version >=1.16.5 and <1.23.0 is required for this version of SciPy (detected version 1.23.1\n",
      "  warnings.warn(f\"A NumPy version >={np_minversion} and <{np_maxversion}\"\n"
     ]
    }
   ],
   "source": [
    "import pandas as pd\n",
    "import os\n",
    "import matplotlib.pyplot as plt\n",
    "import numpy as np\n",
    "from scipy.optimize import curve_fit\n",
    "from titeseq_functions import *\n",
    "from multiprocessing import Pool\n",
    "from functools import partial"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "id": "0b71942c-6d3b-4039-8188-ac59c29aeb58",
   "metadata": {},
   "outputs": [],
   "source": [
    "data_location = '/scratch/gthurber_root/gthurber0/marcase/titeseq/'\n",
    "#upload Bloom 2022 data\n",
    "vc = pd.read_csv(data_location+'variant_counts.csv')\n",
    "delta_vc = pd.read_csv(data_location+'delta_variant_counts.csv')\n",
    "B1351 = pd.read_csv(data_location+'codon_variant_table_B1351.csv') #beta variant K417N+E484K+N501Y \n",
    "#where is delta - L452R+T478K? - its stored in a separate repo. process below\n",
    "E484K = pd.read_csv(data_location+'codon_variant_table_E484K.csv') #eta variant\n",
    "N501Y = pd.read_csv(data_location+'codon_variant_table_N501Y.csv') #alpha variant \n",
    "Wuhan_Hu_1 = pd.read_csv(data_location+'codon_variant_table_Wuhan_Hu_1.csv') #ancestral/ WT\n",
    "all_variants = pd.concat([B1351,E484K,N501Y,Wuhan_Hu_1])\n",
    "\n",
    "B1351_seq      =  'NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGNIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVKGFNCYFPLQSYGFQPTYGVGYQPYRVVVLSFELLHAPATVCGPKKST'\n",
    "E484K_seq      =  'NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVKGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKST'\n",
    "N5O1Y_seq      =  'NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTYGVGYQPYRVVVLSFELLHAPATVCGPKKST'\n",
    "Wuhan_Hu_1_seq =  'NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKST'\n",
    "WT_seq         =  'NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKST'\n",
    "delta_seq      =  'NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYRYRLFRKSNLKPFERDISTEIYQAGSKPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKST'\n",
    "\n",
    "#drop duplicate barcodes\n",
    "all_variants = all_variants.drop_duplicates(subset='barcode')\n",
    "all_variants = all_variants.set_index(['barcode','library'])\n",
    "all_variants = all_variants.set_index(all_variants.index.get_level_values(0) + '_' + all_variants.index.get_level_values(1))\n",
    "\n",
    "#get rid of controls from the delta dataset\n",
    "delta_vc = delta_vc.loc[~delta_vc['sample'].isin(['delta_17-20-none-0-ref', 'delta_17-P03-1250-abneg',\n",
    "       'delta_18-P08-500-abneg', 'delta_19-268C-500-abneg',\n",
    "       'delta_20-279C-1250-abneg', 'delta_21-26-none-0-ref',\n",
    "       'delta_21-267C-200-abneg', 'delta_22-273C-500-abneg',\n",
    "       'delta_23-274C-500-abneg', 'delta_24-276C-500-abneg',\n",
    "       'delta_25-277C-500-abneg', 'delta_26-278C-1250-abneg',\n",
    "       'delta_27-34-none-0-ref', 'delta_27-Delta_1-500-abneg',\n",
    "       'delta_28-Delta_3-350-abneg', 'delta_29-Delta_4-350-abneg',\n",
    "       'delta_30-Delta_6-500-abneg', 'delta_31-Delta_7-1250-abneg',\n",
    "       'delta_32-Delta_8-500-abneg', 'delta_33-Delta_10-1250-abneg',\n",
    "       'delta_34-Delta_11-500-abneg', 'delta_35-40-none-0-ref',\n",
    "       'delta_35-P02-500-abneg', 'delta_36-P04-1250-abneg',\n",
    "       'delta_37-P05-500-abneg', 'delta_38-P09-200-abneg',\n",
    "       'delta_39-P12-200-abneg', 'delta_40-P14-1250-abneg'])]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "id": "81913f8e-cc6b-43fd-afce-4f5d567331f9",
   "metadata": {},
   "outputs": [
    {
     "data": {
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       "\n",
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       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>target</th>\n",
       "      <th>variant_call_support</th>\n",
       "      <th>codon_substitutions</th>\n",
       "      <th>aa_substitutions</th>\n",
       "      <th>n_codon_substitutions</th>\n",
       "      <th>n_aa_substitutions</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAATTAAGG_pool1</th>\n",
       "      <td>B1351</td>\n",
       "      <td>3</td>\n",
       "      <td>AGA73CAT GGA172TCT GCA192ACA</td>\n",
       "      <td>R73H G172S A192T</td>\n",
       "      <td>3.0</td>\n",
       "      <td>3.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAGTATTAA_pool1</th>\n",
       "      <td>B1351</td>\n",
       "      <td>1</td>\n",
       "      <td>GTG103AAA</td>\n",
       "      <td>V103K</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAATACAATA_pool1</th>\n",
       "      <td>B1351</td>\n",
       "      <td>4</td>\n",
       "      <td>CCT169GGT</td>\n",
       "      <td>P169G</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAATGTTAAT_pool1</th>\n",
       "      <td>B1351</td>\n",
       "      <td>2</td>\n",
       "      <td>GAT75CAA</td>\n",
       "      <td>D75Q</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAATTACTAA_pool1</th>\n",
       "      <td>B1351</td>\n",
       "      <td>2</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTAGTACTAGTT_pool2</th>\n",
       "      <td>Wuhan_Hu_1</td>\n",
       "      <td>2</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTATGCAAATTA_pool2</th>\n",
       "      <td>Wuhan_Hu_1</td>\n",
       "      <td>3</td>\n",
       "      <td>GAC34AAT</td>\n",
       "      <td>D34N</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTCAACCCGCGT_pool2</th>\n",
       "      <td>Wuhan_Hu_1</td>\n",
       "      <td>1</td>\n",
       "      <td>AGA73AAT</td>\n",
       "      <td>R73N</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTGATTAAGTTA_pool2</th>\n",
       "      <td>Wuhan_Hu_1</td>\n",
       "      <td>1</td>\n",
       "      <td>TGC61GTT</td>\n",
       "      <td>C61V</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTTGATATTGGA_pool2</th>\n",
       "      <td>Wuhan_Hu_1</td>\n",
       "      <td>3</td>\n",
       "      <td>TGT158GGT</td>\n",
       "      <td>C158G</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>324630 rows × 6 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "                            target  variant_call_support  \\\n",
       "AAAAAAAAAATTAAGG_pool1       B1351                     3   \n",
       "AAAAAAAAAGTATTAA_pool1       B1351                     1   \n",
       "AAAAAAAAATACAATA_pool1       B1351                     4   \n",
       "AAAAAAAAATGTTAAT_pool1       B1351                     2   \n",
       "AAAAAAAAATTACTAA_pool1       B1351                     2   \n",
       "...                            ...                   ...   \n",
       "TTTTTTAGTACTAGTT_pool2  Wuhan_Hu_1                     2   \n",
       "TTTTTTATGCAAATTA_pool2  Wuhan_Hu_1                     3   \n",
       "TTTTTTCAACCCGCGT_pool2  Wuhan_Hu_1                     1   \n",
       "TTTTTTGATTAAGTTA_pool2  Wuhan_Hu_1                     1   \n",
       "TTTTTTTGATATTGGA_pool2  Wuhan_Hu_1                     3   \n",
       "\n",
       "                                 codon_substitutions  aa_substitutions  \\\n",
       "AAAAAAAAAATTAAGG_pool1  AGA73CAT GGA172TCT GCA192ACA  R73H G172S A192T   \n",
       "AAAAAAAAAGTATTAA_pool1                     GTG103AAA             V103K   \n",
       "AAAAAAAAATACAATA_pool1                     CCT169GGT             P169G   \n",
       "AAAAAAAAATGTTAAT_pool1                      GAT75CAA              D75Q   \n",
       "AAAAAAAAATTACTAA_pool1                           NaN               NaN   \n",
       "...                                              ...               ...   \n",
       "TTTTTTAGTACTAGTT_pool2                           NaN               NaN   \n",
       "TTTTTTATGCAAATTA_pool2                      GAC34AAT              D34N   \n",
       "TTTTTTCAACCCGCGT_pool2                      AGA73AAT              R73N   \n",
       "TTTTTTGATTAAGTTA_pool2                      TGC61GTT              C61V   \n",
       "TTTTTTTGATATTGGA_pool2                     TGT158GGT             C158G   \n",
       "\n",
       "                        n_codon_substitutions  n_aa_substitutions  \n",
       "AAAAAAAAAATTAAGG_pool1                    3.0                 3.0  \n",
       "AAAAAAAAAGTATTAA_pool1                    1.0                 1.0  \n",
       "AAAAAAAAATACAATA_pool1                    1.0                 1.0  \n",
       "AAAAAAAAATGTTAAT_pool1                    1.0                 1.0  \n",
       "AAAAAAAAATTACTAA_pool1                    0.0                 0.0  \n",
       "...                                       ...                 ...  \n",
       "TTTTTTAGTACTAGTT_pool2                    0.0                 0.0  \n",
       "TTTTTTATGCAAATTA_pool2                    1.0                 1.0  \n",
       "TTTTTTCAACCCGCGT_pool2                    1.0                 1.0  \n",
       "TTTTTTGATTAAGTTA_pool2                    1.0                 1.0  \n",
       "TTTTTTTGATATTGGA_pool2                    1.0                 1.0  \n",
       "\n",
       "[324630 rows x 6 columns]"
      ]
     },
     "execution_count": 3,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "all_variants"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "id": "5b5183af-4c3c-41e3-9a93-ad66671ae2e9",
   "metadata": {},
   "outputs": [
    {
     "data": {
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       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>target</th>\n",
       "      <th>library</th>\n",
       "      <th>sample</th>\n",
       "      <th>barcode</th>\n",
       "      <th>count</th>\n",
       "      <th>variant_call_support</th>\n",
       "      <th>codon_substitutions</th>\n",
       "      <th>aa_substitutions</th>\n",
       "      <th>n_codon_substitutions</th>\n",
       "      <th>n_aa_substitutions</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>Delta</td>\n",
       "      <td>lib1</td>\n",
       "      <td>TiteSeq_01_bin1</td>\n",
       "      <td>TTAAATCTACTAAAAG</td>\n",
       "      <td>2877</td>\n",
       "      <td>80</td>\n",
       "      <td>CAG176CCA</td>\n",
       "      <td>Q176P</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>Delta</td>\n",
       "      <td>lib1</td>\n",
       "      <td>TiteSeq_01_bin1</td>\n",
       "      <td>AAAAGCTCCCACCCGA</td>\n",
       "      <td>1883</td>\n",
       "      <td>31</td>\n",
       "      <td>GGT9GAT CAG176CCA</td>\n",
       "      <td>G9D Q176P</td>\n",
       "      <td>2</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>Delta</td>\n",
       "      <td>lib1</td>\n",
       "      <td>TiteSeq_01_bin1</td>\n",
       "      <td>AATGACATGGAGCTTA</td>\n",
       "      <td>1727</td>\n",
       "      <td>92</td>\n",
       "      <td>TTC70GAT AAC171AGA</td>\n",
       "      <td>F70D N171R</td>\n",
       "      <td>2</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>Delta</td>\n",
       "      <td>lib1</td>\n",
       "      <td>TiteSeq_01_bin1</td>\n",
       "      <td>TCACAATATCGCGTGT</td>\n",
       "      <td>1708</td>\n",
       "      <td>59</td>\n",
       "      <td>GGC86TTT CTG95CTT GCA192TTG</td>\n",
       "      <td>G86F A192L</td>\n",
       "      <td>3</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>Delta</td>\n",
       "      <td>lib1</td>\n",
       "      <td>TiteSeq_01_bin1</td>\n",
       "      <td>ATCCAAACAAATTGCA</td>\n",
       "      <td>1630</td>\n",
       "      <td>65</td>\n",
       "      <td>GGA172TCT</td>\n",
       "      <td>G172S</td>\n",
       "      <td>1</td>\n",
       "      <td>1</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>10903551</th>\n",
       "      <td>Delta</td>\n",
       "      <td>lib2</td>\n",
       "      <td>SortSeq_bin4</td>\n",
       "      <td>TTTTGTCAATCAACAC</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>AAA132ACT</td>\n",
       "      <td>K132T</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>10903552</th>\n",
       "      <td>Delta</td>\n",
       "      <td>lib2</td>\n",
       "      <td>SortSeq_bin4</td>\n",
       "      <td>TTTTTGATATGACAGG</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>TTC8GTT TTT62CAT</td>\n",
       "      <td>F8V F62H</td>\n",
       "      <td>2</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>10903553</th>\n",
       "      <td>Delta</td>\n",
       "      <td>lib2</td>\n",
       "      <td>SortSeq_bin4</td>\n",
       "      <td>TTTTTTAATAATTGCT</td>\n",
       "      <td>0</td>\n",
       "      <td>2</td>\n",
       "      <td>GCA89GGT</td>\n",
       "      <td>A89G</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>10903554</th>\n",
       "      <td>Delta</td>\n",
       "      <td>lib2</td>\n",
       "      <td>SortSeq_bin4</td>\n",
       "      <td>TTTTTTCCACAGACAT</td>\n",
       "      <td>0</td>\n",
       "      <td>2</td>\n",
       "      <td>ATT28CAT</td>\n",
       "      <td>I28H</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>10903555</th>\n",
       "      <td>Delta</td>\n",
       "      <td>lib2</td>\n",
       "      <td>SortSeq_bin4</td>\n",
       "      <td>TTTTTTGCGTACCAAG</td>\n",
       "      <td>0</td>\n",
       "      <td>2</td>\n",
       "      <td>ATT72ATG</td>\n",
       "      <td>I72M</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>8229360 rows × 10 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "         target library           sample           barcode  count  \\\n",
       "0         Delta    lib1  TiteSeq_01_bin1  TTAAATCTACTAAAAG   2877   \n",
       "1         Delta    lib1  TiteSeq_01_bin1  AAAAGCTCCCACCCGA   1883   \n",
       "2         Delta    lib1  TiteSeq_01_bin1  AATGACATGGAGCTTA   1727   \n",
       "3         Delta    lib1  TiteSeq_01_bin1  TCACAATATCGCGTGT   1708   \n",
       "4         Delta    lib1  TiteSeq_01_bin1  ATCCAAACAAATTGCA   1630   \n",
       "...         ...     ...              ...               ...    ...   \n",
       "10903551  Delta    lib2     SortSeq_bin4  TTTTGTCAATCAACAC      0   \n",
       "10903552  Delta    lib2     SortSeq_bin4  TTTTTGATATGACAGG      0   \n",
       "10903553  Delta    lib2     SortSeq_bin4  TTTTTTAATAATTGCT      0   \n",
       "10903554  Delta    lib2     SortSeq_bin4  TTTTTTCCACAGACAT      0   \n",
       "10903555  Delta    lib2     SortSeq_bin4  TTTTTTGCGTACCAAG      0   \n",
       "\n",
       "          variant_call_support          codon_substitutions aa_substitutions  \\\n",
       "0                           80                    CAG176CCA            Q176P   \n",
       "1                           31            GGT9GAT CAG176CCA        G9D Q176P   \n",
       "2                           92           TTC70GAT AAC171AGA       F70D N171R   \n",
       "3                           59  GGC86TTT CTG95CTT GCA192TTG       G86F A192L   \n",
       "4                           65                    GGA172TCT            G172S   \n",
       "...                        ...                          ...              ...   \n",
       "10903551                     1                    AAA132ACT            K132T   \n",
       "10903552                     1             TTC8GTT TTT62CAT         F8V F62H   \n",
       "10903553                     2                     GCA89GGT             A89G   \n",
       "10903554                     2                     ATT28CAT             I28H   \n",
       "10903555                     2                     ATT72ATG             I72M   \n",
       "\n",
       "          n_codon_substitutions  n_aa_substitutions  \n",
       "0                             1                   1  \n",
       "1                             2                   2  \n",
       "2                             2                   2  \n",
       "3                             3                   2  \n",
       "4                             1                   1  \n",
       "...                         ...                 ...  \n",
       "10903551                      1                   1  \n",
       "10903552                      2                   2  \n",
       "10903553                      1                   1  \n",
       "10903554                      1                   1  \n",
       "10903555                      1                   1  \n",
       "\n",
       "[8229360 rows x 10 columns]"
      ]
     },
     "execution_count": 4,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "delta_vc"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "7c29afe5-d5c5-44c0-a6d3-edb682f4fda3",
   "metadata": {},
   "source": [
    "## preprocess data - use a pivot table to convert barcodes, pools, and replicates into individual reads"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "id": "ec10d8bb-c3aa-41ee-a775-dee717bfd8a0",
   "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></th>\n",
       "      <th>sample</th>\n",
       "      <th>SortSeq_bin1</th>\n",
       "      <th>SortSeq_bin2</th>\n",
       "      <th>SortSeq_bin3</th>\n",
       "      <th>SortSeq_bin4</th>\n",
       "      <th>TiteSeq_01_bin1</th>\n",
       "      <th>TiteSeq_01_bin2</th>\n",
       "      <th>TiteSeq_01_bin3</th>\n",
       "      <th>TiteSeq_01_bin4</th>\n",
       "      <th>TiteSeq_02_bin1</th>\n",
       "      <th>TiteSeq_02_bin2</th>\n",
       "      <th>...</th>\n",
       "      <th>TiteSeq_07_bin3</th>\n",
       "      <th>TiteSeq_07_bin4</th>\n",
       "      <th>TiteSeq_08_bin1</th>\n",
       "      <th>TiteSeq_08_bin2</th>\n",
       "      <th>TiteSeq_08_bin3</th>\n",
       "      <th>TiteSeq_08_bin4</th>\n",
       "      <th>TiteSeq_09_bin1</th>\n",
       "      <th>TiteSeq_09_bin2</th>\n",
       "      <th>TiteSeq_09_bin3</th>\n",
       "      <th>TiteSeq_09_bin4</th>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>barcode</th>\n",
       "      <th>library</th>\n",
       "      <th>replicate</th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th rowspan=\"2\" valign=\"top\">AAAAAAAAAAAAAGAA</th>\n",
       "      <th rowspan=\"2\" valign=\"top\">pool1</th>\n",
       "      <th>A</th>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>2.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>19.0</td>\n",
       "      <td>2.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>B</th>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th rowspan=\"2\" valign=\"top\">AAAAAAAAAAAGGAGA</th>\n",
       "      <th rowspan=\"2\" valign=\"top\">pool1</th>\n",
       "      <th>A</th>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>B</th>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>12.0</td>\n",
       "      <td>10.0</td>\n",
       "      <td>5.0</td>\n",
       "      <td>4.0</td>\n",
       "      <td>30.0</td>\n",
       "      <td>10.0</td>\n",
       "      <td>...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>39.0</td>\n",
       "      <td>3.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>71.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAAATTTAA</th>\n",
       "      <th>pool1</th>\n",
       "      <th>A</th>\n",
       "      <td>0.0</td>\n",
       "      <td>4.0</td>\n",
       "      <td>13.0</td>\n",
       "      <td>64.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>8.0</td>\n",
       "      <td>79.0</td>\n",
       "      <td>6.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>51.0</td>\n",
       "      <td>16.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>63.0</td>\n",
       "      <td>18.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <th>...</th>\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",
       "      <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",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTTGATATTGGA</th>\n",
       "      <th>pool2</th>\n",
       "      <th>A</th>\n",
       "      <td>0.0</td>\n",
       "      <td>14.0</td>\n",
       "      <td>33.0</td>\n",
       "      <td>12.0</td>\n",
       "      <td>10.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>15.0</td>\n",
       "      <td>50.0</td>\n",
       "      <td>7.0</td>\n",
       "      <td>...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>14.0</td>\n",
       "      <td>21.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>38.0</td>\n",
       "      <td>3.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTTGGGCATGTA</th>\n",
       "      <th>pool2</th>\n",
       "      <th>A</th>\n",
       "      <td>22.0</td>\n",
       "      <td>28.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>9.0</td>\n",
       "      <td>...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>7.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTTGTGATAGGA</th>\n",
       "      <th>pool2</th>\n",
       "      <th>A</th>\n",
       "      <td>0.0</td>\n",
       "      <td>2.0</td>\n",
       "      <td>11.0</td>\n",
       "      <td>18.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>55.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>59.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>28.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th rowspan=\"2\" valign=\"top\">TTTTTTTTCTTTGCTG</th>\n",
       "      <th rowspan=\"2\" valign=\"top\">pool1</th>\n",
       "      <th>A</th>\n",
       "      <td>3.0</td>\n",
       "      <td>58.0</td>\n",
       "      <td>20.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>13.0</td>\n",
       "      <td>5.0</td>\n",
       "      <td>17.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>15.0</td>\n",
       "      <td>3.0</td>\n",
       "      <td>...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>44.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>38.0</td>\n",
       "      <td>26.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>B</th>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0.0</td>\n",
       "      <td>4.0</td>\n",
       "      <td>13.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>4.0</td>\n",
       "      <td>...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>22.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>24.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>520339 rows × 40 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "sample                              SortSeq_bin1  SortSeq_bin2  SortSeq_bin3  \\\n",
       "barcode          library replicate                                             \n",
       "AAAAAAAAAAAAAGAA pool1   A                   0.0           0.0           2.0   \n",
       "                         B                   NaN           NaN           NaN   \n",
       "AAAAAAAAAAAGGAGA pool1   A                   0.0           0.0           0.0   \n",
       "                         B                   NaN           NaN           NaN   \n",
       "AAAAAAAAAAATTTAA pool1   A                   0.0           4.0          13.0   \n",
       "...                                          ...           ...           ...   \n",
       "TTTTTTTGATATTGGA pool2   A                   0.0          14.0          33.0   \n",
       "TTTTTTTGGGCATGTA pool2   A                  22.0          28.0           0.0   \n",
       "TTTTTTTGTGATAGGA pool2   A                   0.0           2.0          11.0   \n",
       "TTTTTTTTCTTTGCTG pool1   A                   3.0          58.0          20.0   \n",
       "                         B                   NaN           NaN           NaN   \n",
       "\n",
       "sample                              SortSeq_bin4  TiteSeq_01_bin1  \\\n",
       "barcode          library replicate                                  \n",
       "AAAAAAAAAAAAAGAA pool1   A                   1.0              0.0   \n",
       "                         B                   NaN              0.0   \n",
       "AAAAAAAAAAAGGAGA pool1   A                   0.0              0.0   \n",
       "                         B                   NaN             12.0   \n",
       "AAAAAAAAAAATTTAA pool1   A                  64.0              0.0   \n",
       "...                                          ...              ...   \n",
       "TTTTTTTGATATTGGA pool2   A                  12.0             10.0   \n",
       "TTTTTTTGGGCATGTA pool2   A                   0.0              0.0   \n",
       "TTTTTTTGTGATAGGA pool2   A                  18.0              0.0   \n",
       "TTTTTTTTCTTTGCTG pool1   A                   0.0             13.0   \n",
       "                         B                   NaN              0.0   \n",
       "\n",
       "sample                              TiteSeq_01_bin2  TiteSeq_01_bin3  \\\n",
       "barcode          library replicate                                     \n",
       "AAAAAAAAAAAAAGAA pool1   A                      0.0              0.0   \n",
       "                         B                      0.0              0.0   \n",
       "AAAAAAAAAAAGGAGA pool1   A                      0.0              0.0   \n",
       "                         B                     10.0              5.0   \n",
       "AAAAAAAAAAATTTAA pool1   A                      0.0              8.0   \n",
       "...                                             ...              ...   \n",
       "TTTTTTTGATATTGGA pool2   A                      0.0              0.0   \n",
       "TTTTTTTGGGCATGTA pool2   A                      0.0              0.0   \n",
       "TTTTTTTGTGATAGGA pool2   A                      0.0              0.0   \n",
       "TTTTTTTTCTTTGCTG pool1   A                      5.0             17.0   \n",
       "                         B                      4.0             13.0   \n",
       "\n",
       "sample                              TiteSeq_01_bin4  TiteSeq_02_bin1  \\\n",
       "barcode          library replicate                                     \n",
       "AAAAAAAAAAAAAGAA pool1   A                      0.0              0.0   \n",
       "                         B                      0.0              0.0   \n",
       "AAAAAAAAAAAGGAGA pool1   A                      0.0              0.0   \n",
       "                         B                      4.0             30.0   \n",
       "AAAAAAAAAAATTTAA pool1   A                     79.0              6.0   \n",
       "...                                             ...              ...   \n",
       "TTTTTTTGATATTGGA pool2   A                     15.0             50.0   \n",
       "TTTTTTTGGGCATGTA pool2   A                      0.0              0.0   \n",
       "TTTTTTTGTGATAGGA pool2   A                     55.0              0.0   \n",
       "TTTTTTTTCTTTGCTG pool1   A                      0.0             15.0   \n",
       "                         B                      0.0              0.0   \n",
       "\n",
       "sample                              TiteSeq_02_bin2  ...  TiteSeq_07_bin3  \\\n",
       "barcode          library replicate                   ...                    \n",
       "AAAAAAAAAAAAAGAA pool1   A                      0.0  ...              0.0   \n",
       "                         B                      0.0  ...              0.0   \n",
       "AAAAAAAAAAAGGAGA pool1   A                      0.0  ...              0.0   \n",
       "                         B                     10.0  ...              0.0   \n",
       "AAAAAAAAAAATTTAA pool1   A                      0.0  ...              0.0   \n",
       "...                                             ...  ...              ...   \n",
       "TTTTTTTGATATTGGA pool2   A                      7.0  ...              0.0   \n",
       "TTTTTTTGGGCATGTA pool2   A                      9.0  ...              0.0   \n",
       "TTTTTTTGTGATAGGA pool2   A                      0.0  ...              0.0   \n",
       "TTTTTTTTCTTTGCTG pool1   A                      3.0  ...              0.0   \n",
       "                         B                      4.0  ...              0.0   \n",
       "\n",
       "sample                              TiteSeq_07_bin4  TiteSeq_08_bin1  \\\n",
       "barcode          library replicate                                     \n",
       "AAAAAAAAAAAAAGAA pool1   A                      0.0              0.0   \n",
       "                         B                      0.0              0.0   \n",
       "AAAAAAAAAAAGGAGA pool1   A                      0.0              0.0   \n",
       "                         B                      0.0             39.0   \n",
       "AAAAAAAAAAATTTAA pool1   A                      0.0             51.0   \n",
       "...                                             ...              ...   \n",
       "TTTTTTTGATATTGGA pool2   A                      0.0             14.0   \n",
       "TTTTTTTGGGCATGTA pool2   A                      0.0              0.0   \n",
       "TTTTTTTGTGATAGGA pool2   A                      0.0             59.0   \n",
       "TTTTTTTTCTTTGCTG pool1   A                      0.0             44.0   \n",
       "                         B                      0.0             22.0   \n",
       "\n",
       "sample                              TiteSeq_08_bin2  TiteSeq_08_bin3  \\\n",
       "barcode          library replicate                                     \n",
       "AAAAAAAAAAAAAGAA pool1   A                      0.0              0.0   \n",
       "                         B                      0.0              0.0   \n",
       "AAAAAAAAAAAGGAGA pool1   A                      0.0              0.0   \n",
       "                         B                      3.0              0.0   \n",
       "AAAAAAAAAAATTTAA pool1   A                     16.0              0.0   \n",
       "...                                             ...              ...   \n",
       "TTTTTTTGATATTGGA pool2   A                     21.0              0.0   \n",
       "TTTTTTTGGGCATGTA pool2   A                      0.0              0.0   \n",
       "TTTTTTTGTGATAGGA pool2   A                      0.0              0.0   \n",
       "TTTTTTTTCTTTGCTG pool1   A                      0.0              0.0   \n",
       "                         B                      0.0              0.0   \n",
       "\n",
       "sample                              TiteSeq_08_bin4  TiteSeq_09_bin1  \\\n",
       "barcode          library replicate                                     \n",
       "AAAAAAAAAAAAAGAA pool1   A                      0.0             19.0   \n",
       "                         B                      0.0              0.0   \n",
       "AAAAAAAAAAAGGAGA pool1   A                      0.0              0.0   \n",
       "                         B                      0.0             71.0   \n",
       "AAAAAAAAAAATTTAA pool1   A                      0.0             63.0   \n",
       "...                                             ...              ...   \n",
       "TTTTTTTGATATTGGA pool2   A                      0.0             38.0   \n",
       "TTTTTTTGGGCATGTA pool2   A                      0.0              7.0   \n",
       "TTTTTTTGTGATAGGA pool2   A                      0.0             28.0   \n",
       "TTTTTTTTCTTTGCTG pool1   A                      0.0             38.0   \n",
       "                         B                      0.0             24.0   \n",
       "\n",
       "sample                              TiteSeq_09_bin2  TiteSeq_09_bin3  \\\n",
       "barcode          library replicate                                     \n",
       "AAAAAAAAAAAAAGAA pool1   A                      2.0              0.0   \n",
       "                         B                      0.0              0.0   \n",
       "AAAAAAAAAAAGGAGA pool1   A                      0.0              0.0   \n",
       "                         B                      0.0              0.0   \n",
       "AAAAAAAAAAATTTAA pool1   A                     18.0              0.0   \n",
       "...                                             ...              ...   \n",
       "TTTTTTTGATATTGGA pool2   A                      3.0              0.0   \n",
       "TTTTTTTGGGCATGTA pool2   A                      0.0              0.0   \n",
       "TTTTTTTGTGATAGGA pool2   A                      0.0              0.0   \n",
       "TTTTTTTTCTTTGCTG pool1   A                     26.0              0.0   \n",
       "                         B                      0.0              0.0   \n",
       "\n",
       "sample                              TiteSeq_09_bin4  \n",
       "barcode          library replicate                   \n",
       "AAAAAAAAAAAAAGAA pool1   A                      0.0  \n",
       "                         B                      0.0  \n",
       "AAAAAAAAAAAGGAGA pool1   A                      0.0  \n",
       "                         B                      0.0  \n",
       "AAAAAAAAAAATTTAA pool1   A                      0.0  \n",
       "...                                             ...  \n",
       "TTTTTTTGATATTGGA pool2   A                      0.0  \n",
       "TTTTTTTGGGCATGTA pool2   A                      0.0  \n",
       "TTTTTTTGTGATAGGA pool2   A                      0.0  \n",
       "TTTTTTTTCTTTGCTG pool1   A                      0.0  \n",
       "                         B                      0.0  \n",
       "\n",
       "[520339 rows x 40 columns]"
      ]
     },
     "execution_count": 5,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "#preprocess data\n",
    "values='count'\n",
    "index=['barcode','library','replicate']\n",
    "columns=['sample']\n",
    "data = preprocess(vc,values,index,columns)\n",
    "data #titeseq_bin_01: 1e-6 [M], titeseq_bin_08: 1e-13 [M], titeseq_bin_09: 0 [M]"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "205e4bcc-3fd1-4b03-ae90-6e54b6e158c0",
   "metadata": {},
   "source": [
    "### output data for binary analysis (only take the columns at the average Kd corresponding to top and bottom bins)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "id": "3d93d414-dab1-4f2c-a91f-c9d4d7d08589",
   "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 tr th {\n",
       "        text-align: left;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr>\n",
       "      <th></th>\n",
       "      <th colspan=\"2\" halign=\"left\">TiteSeq_04_bin4</th>\n",
       "      <th colspan=\"2\" halign=\"left\">TiteSeq_04_bin1</th>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>replicate</th>\n",
       "      <th>A</th>\n",
       "      <th>B</th>\n",
       "      <th>A</th>\n",
       "      <th>B</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAAAAAGAA_pool1</th>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAAAGGAGA_pool1</th>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>28.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAAATTTAA_pool1</th>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>10.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAACGCGTA_pool1</th>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAACTAAAA_pool2</th>\n",
       "      <td>5.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0.0</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTAGCAAAAACCG_pool1</th>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTAGCATTACCCT_pool1</th>\n",
       "      <td>2.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>93.0</td>\n",
       "      <td>28.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTAGCCTATAATT_pool2</th>\n",
       "      <td>0.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>22.0</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTAGGACTAGGAG_pool1</th>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>62.0</td>\n",
       "      <td>18.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTAGGCCCGAACT_pool2</th>\n",
       "      <td>0.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>34.0</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>337386 rows × 4 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "                       TiteSeq_04_bin4      TiteSeq_04_bin1      \n",
       "replicate                            A    B               A     B\n",
       "AAAAAAAAAAAAAGAA_pool1             0.0  1.0             0.0   0.0\n",
       "AAAAAAAAAAAGGAGA_pool1             0.0  1.0             0.0  28.0\n",
       "AAAAAAAAAAATTTAA_pool1             0.0  0.0             1.0  10.0\n",
       "AAAAAAAAAACGCGTA_pool1             0.0  0.0             0.0   0.0\n",
       "AAAAAAAAAACTAAAA_pool2             5.0  NaN             0.0   NaN\n",
       "...                                ...  ...             ...   ...\n",
       "TTTTTAGCAAAAACCG_pool1             0.0  1.0             0.0   0.0\n",
       "TTTTTAGCATTACCCT_pool1             2.0  0.0            93.0  28.0\n",
       "TTTTTAGCCTATAATT_pool2             0.0  NaN            22.0   NaN\n",
       "TTTTTAGGACTAGGAG_pool1             0.0  0.0            62.0  18.0\n",
       "TTTTTAGGCCCGAACT_pool2             0.0  NaN            34.0   NaN\n",
       "\n",
       "[337386 rows x 4 columns]"
      ]
     },
     "execution_count": 6,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "#output data as if it was sorted without titeseq- one positive bin and one negative bin @ average Kd (1nM = 1e-9 M)\n",
    "bins_to_keep = ['TiteSeq_04_bin4','TiteSeq_04_bin1']\n",
    "binary_data= data[bins_to_keep]\n",
    "binary_data\n",
    "\n",
    "df1 = binary_data.reset_index()\n",
    "chunk_size = 10000\n",
    "chunks = [x for x in range(0, df1.shape[0], chunk_size)]\n",
    "df1 = pd.concat([df1.iloc[ chunks[i]:chunks[i + 1] - 1 ].pivot(index=['barcode','library'], columns='replicate', values=['TiteSeq_04_bin4','TiteSeq_04_bin1']\n",
    ") for i in range(0, len(chunks) - 1)])\n",
    "df1 = df1.set_index(df1.index.get_level_values(0) + '_' + df1.index.get_level_values(1))\n",
    "df1"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "id": "dca4f747-d522-4456-a67f-c48efcc50186",
   "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>target</th>\n",
       "      <th>variant_call_support</th>\n",
       "      <th>codon_substitutions</th>\n",
       "      <th>aa_substitutions</th>\n",
       "      <th>n_codon_substitutions</th>\n",
       "      <th>n_aa_substitutions</th>\n",
       "      <th>(TiteSeq_04_bin4, A)</th>\n",
       "      <th>(TiteSeq_04_bin4, B)</th>\n",
       "      <th>(TiteSeq_04_bin1, A)</th>\n",
       "      <th>(TiteSeq_04_bin1, B)</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAATTAAGG_pool1</th>\n",
       "      <td>B1351</td>\n",
       "      <td>3.0</td>\n",
       "      <td>AGA73CAT GGA172TCT GCA192ACA</td>\n",
       "      <td>R73H G172S A192T</td>\n",
       "      <td>3.0</td>\n",
       "      <td>3.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>42.0</td>\n",
       "      <td>54.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAGTATTAA_pool1</th>\n",
       "      <td>B1351</td>\n",
       "      <td>1.0</td>\n",
       "      <td>GTG103AAA</td>\n",
       "      <td>V103K</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>2.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAATACAATA_pool1</th>\n",
       "      <td>B1351</td>\n",
       "      <td>4.0</td>\n",
       "      <td>CCT169GGT</td>\n",
       "      <td>P169G</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>56.0</td>\n",
       "      <td>48.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAATGTTAAT_pool1</th>\n",
       "      <td>B1351</td>\n",
       "      <td>2.0</td>\n",
       "      <td>GAT75CAA</td>\n",
       "      <td>D75Q</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAATTACTAA_pool1</th>\n",
       "      <td>B1351</td>\n",
       "      <td>2.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</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>TTTTTACAATATACAC_pool2</th>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>205.0</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTACACAGTAAGT_pool2</th>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0.0</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTACCTGTTTGTT_pool2</th>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>5.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0.0</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTAGAAAGGTACA_pool2</th>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>70.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0.0</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTAGGCCCGAACT_pool2</th>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>34.0</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>337931 rows × 10 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "                       target  variant_call_support  \\\n",
       "AAAAAAAAAATTAAGG_pool1  B1351                   3.0   \n",
       "AAAAAAAAAGTATTAA_pool1  B1351                   1.0   \n",
       "AAAAAAAAATACAATA_pool1  B1351                   4.0   \n",
       "AAAAAAAAATGTTAAT_pool1  B1351                   2.0   \n",
       "AAAAAAAAATTACTAA_pool1  B1351                   2.0   \n",
       "...                       ...                   ...   \n",
       "TTTTTACAATATACAC_pool2    NaN                   NaN   \n",
       "TTTTTACACAGTAAGT_pool2    NaN                   NaN   \n",
       "TTTTTACCTGTTTGTT_pool2    NaN                   NaN   \n",
       "TTTTTAGAAAGGTACA_pool2    NaN                   NaN   \n",
       "TTTTTAGGCCCGAACT_pool2    NaN                   NaN   \n",
       "\n",
       "                                 codon_substitutions  aa_substitutions  \\\n",
       "AAAAAAAAAATTAAGG_pool1  AGA73CAT GGA172TCT GCA192ACA  R73H G172S A192T   \n",
       "AAAAAAAAAGTATTAA_pool1                     GTG103AAA             V103K   \n",
       "AAAAAAAAATACAATA_pool1                     CCT169GGT             P169G   \n",
       "AAAAAAAAATGTTAAT_pool1                      GAT75CAA              D75Q   \n",
       "AAAAAAAAATTACTAA_pool1                           NaN               NaN   \n",
       "...                                              ...               ...   \n",
       "TTTTTACAATATACAC_pool2                           NaN               NaN   \n",
       "TTTTTACACAGTAAGT_pool2                           NaN               NaN   \n",
       "TTTTTACCTGTTTGTT_pool2                           NaN               NaN   \n",
       "TTTTTAGAAAGGTACA_pool2                           NaN               NaN   \n",
       "TTTTTAGGCCCGAACT_pool2                           NaN               NaN   \n",
       "\n",
       "                        n_codon_substitutions  n_aa_substitutions  \\\n",
       "AAAAAAAAAATTAAGG_pool1                    3.0                 3.0   \n",
       "AAAAAAAAAGTATTAA_pool1                    1.0                 1.0   \n",
       "AAAAAAAAATACAATA_pool1                    1.0                 1.0   \n",
       "AAAAAAAAATGTTAAT_pool1                    1.0                 1.0   \n",
       "AAAAAAAAATTACTAA_pool1                    0.0                 0.0   \n",
       "...                                       ...                 ...   \n",
       "TTTTTACAATATACAC_pool2                    NaN                 NaN   \n",
       "TTTTTACACAGTAAGT_pool2                    NaN                 NaN   \n",
       "TTTTTACCTGTTTGTT_pool2                    NaN                 NaN   \n",
       "TTTTTAGAAAGGTACA_pool2                    NaN                 NaN   \n",
       "TTTTTAGGCCCGAACT_pool2                    NaN                 NaN   \n",
       "\n",
       "                        (TiteSeq_04_bin4, A)  (TiteSeq_04_bin4, B)  \\\n",
       "AAAAAAAAAATTAAGG_pool1                   0.0                   0.0   \n",
       "AAAAAAAAAGTATTAA_pool1                   0.0                   0.0   \n",
       "AAAAAAAAATACAATA_pool1                   0.0                   0.0   \n",
       "AAAAAAAAATGTTAAT_pool1                   0.0                   0.0   \n",
       "AAAAAAAAATTACTAA_pool1                   0.0                   0.0   \n",
       "...                                      ...                   ...   \n",
       "TTTTTACAATATACAC_pool2                   0.0                   NaN   \n",
       "TTTTTACACAGTAAGT_pool2                   0.0                   NaN   \n",
       "TTTTTACCTGTTTGTT_pool2                   5.0                   NaN   \n",
       "TTTTTAGAAAGGTACA_pool2                  70.0                   NaN   \n",
       "TTTTTAGGCCCGAACT_pool2                   0.0                   NaN   \n",
       "\n",
       "                        (TiteSeq_04_bin1, A)  (TiteSeq_04_bin1, B)  \n",
       "AAAAAAAAAATTAAGG_pool1                  42.0                  54.0  \n",
       "AAAAAAAAAGTATTAA_pool1                   0.0                   2.0  \n",
       "AAAAAAAAATACAATA_pool1                  56.0                  48.0  \n",
       "AAAAAAAAATGTTAAT_pool1                   0.0                   0.0  \n",
       "AAAAAAAAATTACTAA_pool1                   0.0                   0.0  \n",
       "...                                      ...                   ...  \n",
       "TTTTTACAATATACAC_pool2                 205.0                   NaN  \n",
       "TTTTTACACAGTAAGT_pool2                   0.0                   NaN  \n",
       "TTTTTACCTGTTTGTT_pool2                   0.0                   NaN  \n",
       "TTTTTAGAAAGGTACA_pool2                   0.0                   NaN  \n",
       "TTTTTAGGCCCGAACT_pool2                  34.0                   NaN  \n",
       "\n",
       "[337931 rows x 10 columns]"
      ]
     },
     "execution_count": 7,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "#merge binary data with barcode information\n",
    "merged_binary = pd.concat([all_variants,df1],join='outer',axis=1)\n",
    "merged_binary"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "207e21b7-8e9a-4a61-9738-11d81da6d143",
   "metadata": {},
   "source": [
    "## define filter parameters and filter data"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 8,
   "id": "fc74224f-0049-4519-9e6c-a2e9b79ceb1c",
   "metadata": {},
   "outputs": [],
   "source": [
    "#calculate frequencies\n",
    "data = getFrequencies(data)\n",
    "\n",
    "#filter data\n",
    "bin_read_fraction=0.5 #quality control parameter\n",
    "bin_read_threshold=1 #quality control parameter\n",
    "bimodal_removal=True #quality control parameter\n",
    "bimodal_removal_threshold=0.8 #quality control parameter\n",
    "minimum_fraction_removal=0 #quality control parameter\n",
    "num_bins=4 #from experiment set-up\n",
    "num_concs=10 #from experiment set-up\n",
    "filtered_bin_frequencies,masked_concs = filterClones(data,bin_read_fraction,bin_read_threshold,bimodal_removal,bimodal_removal_threshold,\n",
    "                 minimum_fraction_removal,num_bins,num_concs)"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "353b702d-8f4b-40a2-b0ed-52581dee2a63",
   "metadata": {},
   "source": [
    "## get bin scores for dataset and plot a sample fit"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 9,
   "id": "034c3d02-92d0-41f6-be86-7683cb4f8951",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "<AxesSubplot:>"
      ]
     },
     "execution_count": 9,
     "metadata": {},
     "output_type": "execute_result"
    },
    {
     "data": {
      "image/png": "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\n",
      "text/plain": [
       "<Figure size 432x288 with 1 Axes>"
      ]
     },
     "metadata": {
      "needs_background": "light"
     },
     "output_type": "display_data"
    }
   ],
   "source": [
    "#get data ready for fit\n",
    "fit_data = getBinScores(data,masked_concs,num_concs=num_concs,num_bins=num_bins)\n",
    "\n",
    "#plot sample fits\n",
    "concs = [0,1e-13,1e-12,1e-11,1e-10,1e-9,1e-8,1e-7,1e-6,'sortseq'][::-1]\n",
    "barcode = ('AAAAAAAAAAATTTAA', 'pool1', 'A')\n",
    "plotCurveFit(fit_data,barcode,concs)"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "99d08b7c-5921-443f-aad0-f607d4469058",
   "metadata": {},
   "source": [
    "## fit data for entire dataset and plot Kd distribution"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 10,
   "id": "fc31563b-766e-4c8e-b1fd-5b2f18ca3242",
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "/sw/pkgs/arc/python3.9-anaconda/2021.11/lib/python3.9/site-packages/scipy/optimize/minpack.py:833: OptimizeWarning: Covariance of the parameters could not be estimated\n",
      "  warnings.warn('Covariance of the parameters could not be estimated',\n",
      "/sw/pkgs/arc/python3.9-anaconda/2021.11/lib/python3.9/site-packages/scipy/optimize/minpack.py:833: OptimizeWarning: Covariance of the parameters could not be estimated\n",
      "  warnings.warn('Covariance of the parameters could not be estimated',\n",
      "/sw/pkgs/arc/python3.9-anaconda/2021.11/lib/python3.9/site-packages/scipy/optimize/minpack.py:833: OptimizeWarning: Covariance of the parameters could not be estimated\n",
      "  warnings.warn('Covariance of the parameters could not be estimated',\n",
      "/sw/pkgs/arc/python3.9-anaconda/2021.11/lib/python3.9/site-packages/scipy/optimize/minpack.py:833: OptimizeWarning: Covariance of the parameters could not be estimated\n",
      "  warnings.warn('Covariance of the parameters could not be estimated',\n",
      "/sw/pkgs/arc/python3.9-anaconda/2021.11/lib/python3.9/site-packages/scipy/optimize/minpack.py:833: OptimizeWarning: Covariance of the parameters could not be estimated\n",
      "  warnings.warn('Covariance of the parameters could not be estimated',\n",
      "/sw/pkgs/arc/python3.9-anaconda/2021.11/lib/python3.9/site-packages/scipy/optimize/minpack.py:833: OptimizeWarning: Covariance of the parameters could not be estimated\n",
      "  warnings.warn('Covariance of the parameters could not be estimated',\n",
      "/sw/pkgs/arc/python3.9-anaconda/2021.11/lib/python3.9/site-packages/scipy/optimize/minpack.py:833: OptimizeWarning: Covariance of the parameters could not be estimated\n",
      "  warnings.warn('Covariance of the parameters could not be estimated',\n",
      "/sw/pkgs/arc/python3.9-anaconda/2021.11/lib/python3.9/site-packages/scipy/optimize/minpack.py:833: OptimizeWarning: Covariance of the parameters could not be estimated\n",
      "  warnings.warn('Covariance of the parameters could not be estimated',\n",
      "/sw/pkgs/arc/python3.9-anaconda/2021.11/lib/python3.9/site-packages/scipy/optimize/minpack.py:833: OptimizeWarning: Covariance of the parameters could not be estimated\n",
      "  warnings.warn('Covariance of the parameters could not be estimated',\n",
      "/sw/pkgs/arc/python3.9-anaconda/2021.11/lib/python3.9/site-packages/scipy/optimize/minpack.py:833: OptimizeWarning: Covariance of the parameters could not be estimated\n",
      "  warnings.warn('Covariance of the parameters could not be estimated',\n",
      "/sw/pkgs/arc/python3.9-anaconda/2021.11/lib/python3.9/site-packages/scipy/optimize/minpack.py:833: OptimizeWarning: Covariance of the parameters could not be estimated\n",
      "  warnings.warn('Covariance of the parameters could not be estimated',\n",
      "/sw/pkgs/arc/python3.9-anaconda/2021.11/lib/python3.9/site-packages/scipy/optimize/minpack.py:833: OptimizeWarning: Covariance of the parameters could not be estimated\n",
      "  warnings.warn('Covariance of the parameters could not be estimated',\n",
      "/sw/pkgs/arc/python3.9-anaconda/2021.11/lib/python3.9/site-packages/scipy/optimize/minpack.py:833: OptimizeWarning: Covariance of the parameters could not be estimated\n",
      "  warnings.warn('Covariance of the parameters could not be estimated',\n",
      "/sw/pkgs/arc/python3.9-anaconda/2021.11/lib/python3.9/site-packages/scipy/optimize/minpack.py:833: OptimizeWarning: Covariance of the parameters could not be estimated\n",
      "  warnings.warn('Covariance of the parameters could not be estimated',\n",
      "/sw/pkgs/arc/python3.9-anaconda/2021.11/lib/python3.9/site-packages/scipy/optimize/minpack.py:833: OptimizeWarning: Covariance of the parameters could not be estimated\n",
      "  warnings.warn('Covariance of the parameters could not be estimated',\n",
      "/sw/pkgs/arc/python3.9-anaconda/2021.11/lib/python3.9/site-packages/scipy/optimize/minpack.py:833: OptimizeWarning: Covariance of the parameters could not be estimated\n",
      "  warnings.warn('Covariance of the parameters could not be estimated',\n"
     ]
    }
   ],
   "source": [
    "# fit entire dataset\n",
    "ncpus = 16\n",
    "fit_params = multiprocessFit(fit_data,ncpus,concs,n_bins=4,verbose=False)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 11,
   "id": "3d8d8ce8-b114-4a79-b622-e92313634f0c",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "<AxesSubplot:xlabel='Affinity [M]', ylabel='Count'>"
      ]
     },
     "execution_count": 11,
     "metadata": {},
     "output_type": "execute_result"
    },
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<Figure size 432x288 with 1 Axes>"
      ]
     },
     "metadata": {
      "needs_background": "light"
     },
     "output_type": "display_data"
    }
   ],
   "source": [
    "plotDatasetHistogram(fit_params,concs)"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "22e3e03d-3928-4843-8bfd-00f7d01fc265",
   "metadata": {},
   "source": [
    "## prepare fit data for merging of barcodes with sequences for downstream analysis"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 12,
   "id": "a78e2937-6a70-4d34-a965-70bb36a32c25",
   "metadata": {},
   "outputs": [],
   "source": [
    "#match barcodes with mutations\n",
    "good_fit_params = fit_params.loc[fit_params['Kd'] > 0.1*np.ma.masked_equal(concs[1:], 0.0, copy=False).min()][['Kd']]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 13,
   "id": "65ec171f-f2e4-4d3a-bf53-59bd46041e37",
   "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>replicate</th>\n",
       "      <th>A</th>\n",
       "      <th>B</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAAAGGAGA_pool1</th>\n",
       "      <td>NaN</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAAATTTAA_pool1</th>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAACGCGTA_pool1</th>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAACTAAAA_pool2</th>\n",
       "      <td>0.0</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAACTCCAA_pool1</th>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTGATCCGTGTAAT_pool2</th>\n",
       "      <td>0.0</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTGATCGAGGCTCT_pool1</th>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTGATGAACAATTA_pool2</th>\n",
       "      <td>0.0</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTGATGCACCCCAA_pool2</th>\n",
       "      <td>0.0</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTGATTACGACCTT_pool1</th>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>295937 rows × 2 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "replicate                 A    B\n",
       "AAAAAAAAAAAGGAGA_pool1  NaN  0.0\n",
       "AAAAAAAAAAATTTAA_pool1  0.0  0.0\n",
       "AAAAAAAAAACGCGTA_pool1  0.0  0.0\n",
       "AAAAAAAAAACTAAAA_pool2  0.0  NaN\n",
       "AAAAAAAAAACTCCAA_pool1  0.0  0.0\n",
       "...                     ...  ...\n",
       "TTTTGATCCGTGTAAT_pool2  0.0  NaN\n",
       "TTTTGATCGAGGCTCT_pool1  0.0  0.0\n",
       "TTTTGATGAACAATTA_pool2  0.0  NaN\n",
       "TTTTGATGCACCCCAA_pool2  0.0  NaN\n",
       "TTTTGATTACGACCTT_pool1  0.0  0.0\n",
       "\n",
       "[295937 rows x 2 columns]"
      ]
     },
     "execution_count": 13,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df1 = good_fit_params.reset_index()\n",
    "chunk_size = 10000\n",
    "chunks = [x for x in range(0, df1.shape[0], chunk_size)]\n",
    "good_fit_params = pd.concat([df1.iloc[ chunks[i]:chunks[i + 1] - 1 ].pivot(index=['barcode','library'], columns='replicate', values='Kd') for i in range(0, len(chunks) - 1)])\n",
    "good_fit_params = good_fit_params.set_index(good_fit_params.index.get_level_values(0) + '_' + good_fit_params.index.get_level_values(1))\n",
    "good_fit_params"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 14,
   "id": "89efb192-7708-4a9f-9e04-c9b87402621e",
   "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>target</th>\n",
       "      <th>variant_call_support</th>\n",
       "      <th>codon_substitutions</th>\n",
       "      <th>aa_substitutions</th>\n",
       "      <th>n_codon_substitutions</th>\n",
       "      <th>n_aa_substitutions</th>\n",
       "      <th>A</th>\n",
       "      <th>B</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAATTAAGG_pool1</th>\n",
       "      <td>B1351</td>\n",
       "      <td>3.0</td>\n",
       "      <td>AGA73CAT GGA172TCT GCA192ACA</td>\n",
       "      <td>R73H G172S A192T</td>\n",
       "      <td>3.0</td>\n",
       "      <td>3.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAGTATTAA_pool1</th>\n",
       "      <td>B1351</td>\n",
       "      <td>1.0</td>\n",
       "      <td>GTG103AAA</td>\n",
       "      <td>V103K</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAATACAATA_pool1</th>\n",
       "      <td>B1351</td>\n",
       "      <td>4.0</td>\n",
       "      <td>CCT169GGT</td>\n",
       "      <td>P169G</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAATGTTAAT_pool1</th>\n",
       "      <td>B1351</td>\n",
       "      <td>2.0</td>\n",
       "      <td>GAT75CAA</td>\n",
       "      <td>D75Q</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAATTACTAA_pool1</th>\n",
       "      <td>B1351</td>\n",
       "      <td>2.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTGACGAGAAAACC_pool2</th>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0.0</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTGACGTAACGTCC_pool2</th>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0.0</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTGACTATTAATAT_pool2</th>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0.0</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTGATACGGGCAGA_pool2</th>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0.0</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTGATGCACCCCAA_pool2</th>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0.0</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>335304 rows × 8 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "                       target  variant_call_support  \\\n",
       "AAAAAAAAAATTAAGG_pool1  B1351                   3.0   \n",
       "AAAAAAAAAGTATTAA_pool1  B1351                   1.0   \n",
       "AAAAAAAAATACAATA_pool1  B1351                   4.0   \n",
       "AAAAAAAAATGTTAAT_pool1  B1351                   2.0   \n",
       "AAAAAAAAATTACTAA_pool1  B1351                   2.0   \n",
       "...                       ...                   ...   \n",
       "TTTTGACGAGAAAACC_pool2    NaN                   NaN   \n",
       "TTTTGACGTAACGTCC_pool2    NaN                   NaN   \n",
       "TTTTGACTATTAATAT_pool2    NaN                   NaN   \n",
       "TTTTGATACGGGCAGA_pool2    NaN                   NaN   \n",
       "TTTTGATGCACCCCAA_pool2    NaN                   NaN   \n",
       "\n",
       "                                 codon_substitutions  aa_substitutions  \\\n",
       "AAAAAAAAAATTAAGG_pool1  AGA73CAT GGA172TCT GCA192ACA  R73H G172S A192T   \n",
       "AAAAAAAAAGTATTAA_pool1                     GTG103AAA             V103K   \n",
       "AAAAAAAAATACAATA_pool1                     CCT169GGT             P169G   \n",
       "AAAAAAAAATGTTAAT_pool1                      GAT75CAA              D75Q   \n",
       "AAAAAAAAATTACTAA_pool1                           NaN               NaN   \n",
       "...                                              ...               ...   \n",
       "TTTTGACGAGAAAACC_pool2                           NaN               NaN   \n",
       "TTTTGACGTAACGTCC_pool2                           NaN               NaN   \n",
       "TTTTGACTATTAATAT_pool2                           NaN               NaN   \n",
       "TTTTGATACGGGCAGA_pool2                           NaN               NaN   \n",
       "TTTTGATGCACCCCAA_pool2                           NaN               NaN   \n",
       "\n",
       "                        n_codon_substitutions  n_aa_substitutions    A    B  \n",
       "AAAAAAAAAATTAAGG_pool1                    3.0                 3.0  NaN  NaN  \n",
       "AAAAAAAAAGTATTAA_pool1                    1.0                 1.0  NaN  NaN  \n",
       "AAAAAAAAATACAATA_pool1                    1.0                 1.0  0.0  0.0  \n",
       "AAAAAAAAATGTTAAT_pool1                    1.0                 1.0  0.0  0.0  \n",
       "AAAAAAAAATTACTAA_pool1                    0.0                 0.0  NaN  NaN  \n",
       "...                                       ...                 ...  ...  ...  \n",
       "TTTTGACGAGAAAACC_pool2                    NaN                 NaN  0.0  NaN  \n",
       "TTTTGACGTAACGTCC_pool2                    NaN                 NaN  0.0  NaN  \n",
       "TTTTGACTATTAATAT_pool2                    NaN                 NaN  0.0  NaN  \n",
       "TTTTGATACGGGCAGA_pool2                    NaN                 NaN  0.0  NaN  \n",
       "TTTTGATGCACCCCAA_pool2                    NaN                 NaN  0.0  NaN  \n",
       "\n",
       "[335304 rows x 8 columns]"
      ]
     },
     "execution_count": 14,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "merged = pd.concat([all_variants,good_fit_params],join='outer',axis=1)\n",
    "merged"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 15,
   "id": "201c01df-17d4-488d-960d-06418a8132fd",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
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       "\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>target</th>\n",
       "      <th>variant_call_support</th>\n",
       "      <th>codon_substitutions</th>\n",
       "      <th>aa_substitutions</th>\n",
       "      <th>n_codon_substitutions</th>\n",
       "      <th>n_aa_substitutions</th>\n",
       "      <th>A</th>\n",
       "      <th>B</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAATACAATA_pool1</th>\n",
       "      <td>B1351</td>\n",
       "      <td>4.0</td>\n",
       "      <td>CCT169GGT</td>\n",
       "      <td>P169G</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAATGTTAAT_pool1</th>\n",
       "      <td>B1351</td>\n",
       "      <td>2.0</td>\n",
       "      <td>GAT75CAA</td>\n",
       "      <td>D75Q</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAACAGGATTG_pool1</th>\n",
       "      <td>B1351</td>\n",
       "      <td>4.0</td>\n",
       "      <td>ATC80ATG</td>\n",
       "      <td>I80M</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAGTAACGAT_pool1</th>\n",
       "      <td>B1351</td>\n",
       "      <td>6.0</td>\n",
       "      <td>TCT36TAT</td>\n",
       "      <td>S36Y</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAATATGGACA_pool1</th>\n",
       "      <td>B1351</td>\n",
       "      <td>2.0</td>\n",
       "      <td>AAC4TCT</td>\n",
       "      <td>N4S</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTGACAGTTATAGA_pool2</th>\n",
       "      <td>Wuhan_Hu_1</td>\n",
       "      <td>6.0</td>\n",
       "      <td>GCC67GGT</td>\n",
       "      <td>A67G</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTGACCCAAACGAA_pool2</th>\n",
       "      <td>Wuhan_Hu_1</td>\n",
       "      <td>1.0</td>\n",
       "      <td>ATA104GTT GAA186GGA</td>\n",
       "      <td>I104V E186G</td>\n",
       "      <td>2.0</td>\n",
       "      <td>2.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTGACCCTACATTA_pool2</th>\n",
       "      <td>Wuhan_Hu_1</td>\n",
       "      <td>4.0</td>\n",
       "      <td>AAT13GAA</td>\n",
       "      <td>N13E</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTGACTAATTTTGT_pool2</th>\n",
       "      <td>Wuhan_Hu_1</td>\n",
       "      <td>1.0</td>\n",
       "      <td>AAT58GTT</td>\n",
       "      <td>N58V</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTGATAAATCAACT_pool2</th>\n",
       "      <td>Wuhan_Hu_1</td>\n",
       "      <td>1.0</td>\n",
       "      <td>TCT53CCA</td>\n",
       "      <td>S53P</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>285263 rows × 8 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "                            target  variant_call_support  codon_substitutions  \\\n",
       "AAAAAAAAATACAATA_pool1       B1351                   4.0            CCT169GGT   \n",
       "AAAAAAAAATGTTAAT_pool1       B1351                   2.0             GAT75CAA   \n",
       "AAAAAAAACAGGATTG_pool1       B1351                   4.0             ATC80ATG   \n",
       "AAAAAAAAGTAACGAT_pool1       B1351                   6.0             TCT36TAT   \n",
       "AAAAAAAATATGGACA_pool1       B1351                   2.0              AAC4TCT   \n",
       "...                            ...                   ...                  ...   \n",
       "TTTTGACAGTTATAGA_pool2  Wuhan_Hu_1                   6.0             GCC67GGT   \n",
       "TTTTGACCCAAACGAA_pool2  Wuhan_Hu_1                   1.0  ATA104GTT GAA186GGA   \n",
       "TTTTGACCCTACATTA_pool2  Wuhan_Hu_1                   4.0             AAT13GAA   \n",
       "TTTTGACTAATTTTGT_pool2  Wuhan_Hu_1                   1.0             AAT58GTT   \n",
       "TTTTGATAAATCAACT_pool2  Wuhan_Hu_1                   1.0             TCT53CCA   \n",
       "\n",
       "                       aa_substitutions  n_codon_substitutions  \\\n",
       "AAAAAAAAATACAATA_pool1            P169G                    1.0   \n",
       "AAAAAAAAATGTTAAT_pool1             D75Q                    1.0   \n",
       "AAAAAAAACAGGATTG_pool1             I80M                    1.0   \n",
       "AAAAAAAAGTAACGAT_pool1             S36Y                    1.0   \n",
       "AAAAAAAATATGGACA_pool1              N4S                    1.0   \n",
       "...                                 ...                    ...   \n",
       "TTTTGACAGTTATAGA_pool2             A67G                    1.0   \n",
       "TTTTGACCCAAACGAA_pool2      I104V E186G                    2.0   \n",
       "TTTTGACCCTACATTA_pool2             N13E                    1.0   \n",
       "TTTTGACTAATTTTGT_pool2             N58V                    1.0   \n",
       "TTTTGATAAATCAACT_pool2             S53P                    1.0   \n",
       "\n",
       "                        n_aa_substitutions    A    B  \n",
       "AAAAAAAAATACAATA_pool1                 1.0  0.0  0.0  \n",
       "AAAAAAAAATGTTAAT_pool1                 1.0  0.0  0.0  \n",
       "AAAAAAAACAGGATTG_pool1                 1.0  0.0  0.0  \n",
       "AAAAAAAAGTAACGAT_pool1                 1.0  0.0  0.0  \n",
       "AAAAAAAATATGGACA_pool1                 1.0  0.0  0.0  \n",
       "...                                    ...  ...  ...  \n",
       "TTTTGACAGTTATAGA_pool2                 1.0  0.0  NaN  \n",
       "TTTTGACCCAAACGAA_pool2                 2.0  0.0  NaN  \n",
       "TTTTGACCCTACATTA_pool2                 1.0  0.0  NaN  \n",
       "TTTTGACTAATTTTGT_pool2                 1.0  0.0  NaN  \n",
       "TTTTGATAAATCAACT_pool2                 1.0  0.0  NaN  \n",
       "\n",
       "[285263 rows x 8 columns]"
      ]
     },
     "execution_count": 15,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "merged.loc[(~(pd.isnull(merged['target']))) & (~(pd.isnull(merged['A'])) | (~pd.isnull(merged['B'])))]"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "b5dd25dc-faf0-4eb2-8df8-89bf0719c426",
   "metadata": {},
   "source": [
    "## look at correlations in dataset"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 16,
   "id": "7b68792e-463d-4c37-97ed-15e87606b810",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<Figure size 432x288 with 1 Axes>"
      ]
     },
     "metadata": {
      "needs_background": "light"
     },
     "output_type": "display_data"
    }
   ],
   "source": [
    "plt.scatter(merged['A'],merged['B'],alpha=0.005)\n",
    "plt.yscale('log')\n",
    "plt.xscale('log')"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "646a7a0e-53b9-4560-9829-eab0bcf1c1d2",
   "metadata": {},
   "source": [
    "### output data for downstream analysis"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 17,
   "id": "aff51f45-2a64-45b0-8304-9ee0a75a9277",
   "metadata": {},
   "outputs": [],
   "source": [
    "merged.to_csv('fit_params.csv')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 18,
   "id": "ac716a7a-50ea-4361-b627-98a314f7b282",
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "/sw/pkgs/arc/python3.9-anaconda/2021.11/lib/python3.9/site-packages/IPython/core/interactiveshell.py:3444: DtypeWarning: Columns (1,3,4) have mixed types.Specify dtype option on import or set low_memory=False.\n",
      "  exec(code_obj, self.user_global_ns, self.user_ns)\n"
     ]
    }
   ],
   "source": [
    "merged = pd.read_csv('fit_params.csv')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 19,
   "id": "9f8ad0c1-a6f2-4fa1-8c0d-f441b1b3113c",
   "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>target</th>\n",
       "      <th>library</th>\n",
       "      <th>sample</th>\n",
       "      <th>barcode</th>\n",
       "      <th>count</th>\n",
       "      <th>variant_call_support</th>\n",
       "      <th>codon_substitutions</th>\n",
       "      <th>aa_substitutions</th>\n",
       "      <th>n_codon_substitutions</th>\n",
       "      <th>n_aa_substitutions</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>Delta</td>\n",
       "      <td>lib1</td>\n",
       "      <td>TiteSeq_01_bin1</td>\n",
       "      <td>TTAAATCTACTAAAAG</td>\n",
       "      <td>2877</td>\n",
       "      <td>80</td>\n",
       "      <td>CAG176CCA</td>\n",
       "      <td>Q176P</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>Delta</td>\n",
       "      <td>lib1</td>\n",
       "      <td>TiteSeq_01_bin1</td>\n",
       "      <td>AAAAGCTCCCACCCGA</td>\n",
       "      <td>1883</td>\n",
       "      <td>31</td>\n",
       "      <td>GGT9GAT CAG176CCA</td>\n",
       "      <td>G9D Q176P</td>\n",
       "      <td>2</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>Delta</td>\n",
       "      <td>lib1</td>\n",
       "      <td>TiteSeq_01_bin1</td>\n",
       "      <td>AATGACATGGAGCTTA</td>\n",
       "      <td>1727</td>\n",
       "      <td>92</td>\n",
       "      <td>TTC70GAT AAC171AGA</td>\n",
       "      <td>F70D N171R</td>\n",
       "      <td>2</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>Delta</td>\n",
       "      <td>lib1</td>\n",
       "      <td>TiteSeq_01_bin1</td>\n",
       "      <td>TCACAATATCGCGTGT</td>\n",
       "      <td>1708</td>\n",
       "      <td>59</td>\n",
       "      <td>GGC86TTT CTG95CTT GCA192TTG</td>\n",
       "      <td>G86F A192L</td>\n",
       "      <td>3</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>Delta</td>\n",
       "      <td>lib1</td>\n",
       "      <td>TiteSeq_01_bin1</td>\n",
       "      <td>ATCCAAACAAATTGCA</td>\n",
       "      <td>1630</td>\n",
       "      <td>65</td>\n",
       "      <td>GGA172TCT</td>\n",
       "      <td>G172S</td>\n",
       "      <td>1</td>\n",
       "      <td>1</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>10903551</th>\n",
       "      <td>Delta</td>\n",
       "      <td>lib2</td>\n",
       "      <td>SortSeq_bin4</td>\n",
       "      <td>TTTTGTCAATCAACAC</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>AAA132ACT</td>\n",
       "      <td>K132T</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>10903552</th>\n",
       "      <td>Delta</td>\n",
       "      <td>lib2</td>\n",
       "      <td>SortSeq_bin4</td>\n",
       "      <td>TTTTTGATATGACAGG</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>TTC8GTT TTT62CAT</td>\n",
       "      <td>F8V F62H</td>\n",
       "      <td>2</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>10903553</th>\n",
       "      <td>Delta</td>\n",
       "      <td>lib2</td>\n",
       "      <td>SortSeq_bin4</td>\n",
       "      <td>TTTTTTAATAATTGCT</td>\n",
       "      <td>0</td>\n",
       "      <td>2</td>\n",
       "      <td>GCA89GGT</td>\n",
       "      <td>A89G</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>10903554</th>\n",
       "      <td>Delta</td>\n",
       "      <td>lib2</td>\n",
       "      <td>SortSeq_bin4</td>\n",
       "      <td>TTTTTTCCACAGACAT</td>\n",
       "      <td>0</td>\n",
       "      <td>2</td>\n",
       "      <td>ATT28CAT</td>\n",
       "      <td>I28H</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>10903555</th>\n",
       "      <td>Delta</td>\n",
       "      <td>lib2</td>\n",
       "      <td>SortSeq_bin4</td>\n",
       "      <td>TTTTTTGCGTACCAAG</td>\n",
       "      <td>0</td>\n",
       "      <td>2</td>\n",
       "      <td>ATT72ATG</td>\n",
       "      <td>I72M</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>8229360 rows × 10 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "         target library           sample           barcode  count  \\\n",
       "0         Delta    lib1  TiteSeq_01_bin1  TTAAATCTACTAAAAG   2877   \n",
       "1         Delta    lib1  TiteSeq_01_bin1  AAAAGCTCCCACCCGA   1883   \n",
       "2         Delta    lib1  TiteSeq_01_bin1  AATGACATGGAGCTTA   1727   \n",
       "3         Delta    lib1  TiteSeq_01_bin1  TCACAATATCGCGTGT   1708   \n",
       "4         Delta    lib1  TiteSeq_01_bin1  ATCCAAACAAATTGCA   1630   \n",
       "...         ...     ...              ...               ...    ...   \n",
       "10903551  Delta    lib2     SortSeq_bin4  TTTTGTCAATCAACAC      0   \n",
       "10903552  Delta    lib2     SortSeq_bin4  TTTTTGATATGACAGG      0   \n",
       "10903553  Delta    lib2     SortSeq_bin4  TTTTTTAATAATTGCT      0   \n",
       "10903554  Delta    lib2     SortSeq_bin4  TTTTTTCCACAGACAT      0   \n",
       "10903555  Delta    lib2     SortSeq_bin4  TTTTTTGCGTACCAAG      0   \n",
       "\n",
       "          variant_call_support          codon_substitutions aa_substitutions  \\\n",
       "0                           80                    CAG176CCA            Q176P   \n",
       "1                           31            GGT9GAT CAG176CCA        G9D Q176P   \n",
       "2                           92           TTC70GAT AAC171AGA       F70D N171R   \n",
       "3                           59  GGC86TTT CTG95CTT GCA192TTG       G86F A192L   \n",
       "4                           65                    GGA172TCT            G172S   \n",
       "...                        ...                          ...              ...   \n",
       "10903551                     1                    AAA132ACT            K132T   \n",
       "10903552                     1             TTC8GTT TTT62CAT         F8V F62H   \n",
       "10903553                     2                     GCA89GGT             A89G   \n",
       "10903554                     2                     ATT28CAT             I28H   \n",
       "10903555                     2                     ATT72ATG             I72M   \n",
       "\n",
       "          n_codon_substitutions  n_aa_substitutions  \n",
       "0                             1                   1  \n",
       "1                             2                   2  \n",
       "2                             2                   2  \n",
       "3                             3                   2  \n",
       "4                             1                   1  \n",
       "...                         ...                 ...  \n",
       "10903551                      1                   1  \n",
       "10903552                      2                   2  \n",
       "10903553                      1                   1  \n",
       "10903554                      1                   1  \n",
       "10903555                      1                   1  \n",
       "\n",
       "[8229360 rows x 10 columns]"
      ]
     },
     "execution_count": 19,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "delta_vc"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "18bdb185-9fa7-4e5d-8f21-be4756cb8433",
   "metadata": {},
   "source": [
    "# delta variants are stored separately. analyze them as above and merge into the dataset"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 20,
   "id": "d6cf2bf7-f320-449f-b3e2-fbc26ef52fc2",
   "metadata": {},
   "outputs": [],
   "source": [
    "#preprocess data for delta\n",
    "values='count'\n",
    "index=['barcode','library']\n",
    "columns=['sample']\n",
    "delta_data = preprocess(delta_vc,values,index,columns)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 21,
   "id": "ff67eb56-0dbb-4bca-8efd-aaa5d3e3cf87",
   "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>sample</th>\n",
       "      <th>SortSeq_bin1</th>\n",
       "      <th>SortSeq_bin2</th>\n",
       "      <th>SortSeq_bin3</th>\n",
       "      <th>SortSeq_bin4</th>\n",
       "      <th>TiteSeq_01_bin1</th>\n",
       "      <th>TiteSeq_01_bin2</th>\n",
       "      <th>TiteSeq_01_bin3</th>\n",
       "      <th>TiteSeq_01_bin4</th>\n",
       "      <th>TiteSeq_02_bin1</th>\n",
       "      <th>TiteSeq_02_bin2</th>\n",
       "      <th>...</th>\n",
       "      <th>TiteSeq_07_bin3</th>\n",
       "      <th>TiteSeq_07_bin4</th>\n",
       "      <th>TiteSeq_08_bin1</th>\n",
       "      <th>TiteSeq_08_bin2</th>\n",
       "      <th>TiteSeq_08_bin3</th>\n",
       "      <th>TiteSeq_08_bin4</th>\n",
       "      <th>TiteSeq_09_bin1</th>\n",
       "      <th>TiteSeq_09_bin2</th>\n",
       "      <th>TiteSeq_09_bin3</th>\n",
       "      <th>TiteSeq_09_bin4</th>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>barcode</th>\n",
       "      <th>library</th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAAAAACCT</th>\n",
       "      <th>lib2</th>\n",
       "      <td>0</td>\n",
       "      <td>10</td>\n",
       "      <td>18</td>\n",
       "      <td>17</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>5</td>\n",
       "      <td>4</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>36</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAAAAGGAT</th>\n",
       "      <th>lib1</th>\n",
       "      <td>0</td>\n",
       "      <td>4</td>\n",
       "      <td>3</td>\n",
       "      <td>3</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>11</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>6</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAAATGCAA</th>\n",
       "      <th>lib2</th>\n",
       "      <td>49</td>\n",
       "      <td>83</td>\n",
       "      <td>97</td>\n",
       "      <td>204</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>36</td>\n",
       "      <td>416</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>239</td>\n",
       "      <td>16</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>238</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAAATTCGC</th>\n",
       "      <th>lib1</th>\n",
       "      <td>23</td>\n",
       "      <td>64</td>\n",
       "      <td>186</td>\n",
       "      <td>122</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>32</td>\n",
       "      <td>368</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>162</td>\n",
       "      <td>3</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>276</td>\n",
       "      <td>3</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAACACCTA</th>\n",
       "      <th>lib2</th>\n",
       "      <td>5</td>\n",
       "      <td>27</td>\n",
       "      <td>33</td>\n",
       "      <td>84</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>139</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>22</td>\n",
       "      <td>7</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>54</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\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",
       "      <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",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTTGATACCAAG</th>\n",
       "      <th>lib1</th>\n",
       "      <td>4</td>\n",
       "      <td>2</td>\n",
       "      <td>18</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>3</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>35</td>\n",
       "      <td>0</td>\n",
       "      <td>3</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTTTCAAGATGA</th>\n",
       "      <th>lib2</th>\n",
       "      <td>174</td>\n",
       "      <td>72</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>75</td>\n",
       "      <td>6</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>48</td>\n",
       "      <td>34</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>59</td>\n",
       "      <td>5</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>63</td>\n",
       "      <td>24</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTTTCCAATCAT</th>\n",
       "      <th>lib1</th>\n",
       "      <td>31</td>\n",
       "      <td>26</td>\n",
       "      <td>22</td>\n",
       "      <td>35</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>47</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>100</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>106</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTTTCGATATGG</th>\n",
       "      <th>lib1</th>\n",
       "      <td>143</td>\n",
       "      <td>170</td>\n",
       "      <td>56</td>\n",
       "      <td>4</td>\n",
       "      <td>126</td>\n",
       "      <td>7</td>\n",
       "      <td>0</td>\n",
       "      <td>6</td>\n",
       "      <td>77</td>\n",
       "      <td>27</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>137</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>135</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTTTTAGTTAAT</th>\n",
       "      <th>lib1</th>\n",
       "      <td>7</td>\n",
       "      <td>4</td>\n",
       "      <td>39</td>\n",
       "      <td>62</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>63</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>68</td>\n",
       "      <td>5</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>75</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>205734 rows × 40 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "sample                    SortSeq_bin1  SortSeq_bin2  SortSeq_bin3  \\\n",
       "barcode          library                                             \n",
       "AAAAAAAAAAAAACCT lib2                0            10            18   \n",
       "AAAAAAAAAAAAGGAT lib1                0             4             3   \n",
       "AAAAAAAAAAATGCAA lib2               49            83            97   \n",
       "AAAAAAAAAAATTCGC lib1               23            64           186   \n",
       "AAAAAAAAAACACCTA lib2                5            27            33   \n",
       "...                                ...           ...           ...   \n",
       "TTTTTTTGATACCAAG lib1                4             2            18   \n",
       "TTTTTTTTCAAGATGA lib2              174            72             0   \n",
       "TTTTTTTTCCAATCAT lib1               31            26            22   \n",
       "TTTTTTTTCGATATGG lib1              143           170            56   \n",
       "TTTTTTTTTAGTTAAT lib1                7             4            39   \n",
       "\n",
       "sample                    SortSeq_bin4  TiteSeq_01_bin1  TiteSeq_01_bin2  \\\n",
       "barcode          library                                                   \n",
       "AAAAAAAAAAAAACCT lib2               17                0                0   \n",
       "AAAAAAAAAAAAGGAT lib1                3                0                0   \n",
       "AAAAAAAAAAATGCAA lib2              204                0                0   \n",
       "AAAAAAAAAAATTCGC lib1              122                0                0   \n",
       "AAAAAAAAAACACCTA lib2               84                0                0   \n",
       "...                                ...              ...              ...   \n",
       "TTTTTTTGATACCAAG lib1                0                0                0   \n",
       "TTTTTTTTCAAGATGA lib2                0               75                6   \n",
       "TTTTTTTTCCAATCAT lib1               35                0                0   \n",
       "TTTTTTTTCGATATGG lib1                4              126                7   \n",
       "TTTTTTTTTAGTTAAT lib1               62                0                0   \n",
       "\n",
       "sample                    TiteSeq_01_bin3  TiteSeq_01_bin4  TiteSeq_02_bin1  \\\n",
       "barcode          library                                                      \n",
       "AAAAAAAAAAAAACCT lib2                   5                4                0   \n",
       "AAAAAAAAAAAAGGAT lib1                   0               11                0   \n",
       "AAAAAAAAAAATGCAA lib2                  36              416                0   \n",
       "AAAAAAAAAAATTCGC lib1                  32              368                0   \n",
       "AAAAAAAAAACACCTA lib2                   0              139                0   \n",
       "...                                   ...              ...              ...   \n",
       "TTTTTTTGATACCAAG lib1                   0                3                0   \n",
       "TTTTTTTTCAAGATGA lib2                   0                1               48   \n",
       "TTTTTTTTCCAATCAT lib1                   1               47                0   \n",
       "TTTTTTTTCGATATGG lib1                   0                6               77   \n",
       "TTTTTTTTTAGTTAAT lib1                   0               63                0   \n",
       "\n",
       "sample                    TiteSeq_02_bin2  ...  TiteSeq_07_bin3  \\\n",
       "barcode          library                   ...                    \n",
       "AAAAAAAAAAAAACCT lib2                   0  ...                0   \n",
       "AAAAAAAAAAAAGGAT lib1                   0  ...                0   \n",
       "AAAAAAAAAAATGCAA lib2                   0  ...                0   \n",
       "AAAAAAAAAAATTCGC lib1                   0  ...                0   \n",
       "AAAAAAAAAACACCTA lib2                   0  ...                0   \n",
       "...                                   ...  ...              ...   \n",
       "TTTTTTTGATACCAAG lib1                   0  ...                0   \n",
       "TTTTTTTTCAAGATGA lib2                  34  ...                0   \n",
       "TTTTTTTTCCAATCAT lib1                   0  ...                0   \n",
       "TTTTTTTTCGATATGG lib1                  27  ...                0   \n",
       "TTTTTTTTTAGTTAAT lib1                   0  ...                0   \n",
       "\n",
       "sample                    TiteSeq_07_bin4  TiteSeq_08_bin1  TiteSeq_08_bin2  \\\n",
       "barcode          library                                                      \n",
       "AAAAAAAAAAAAACCT lib2                   0               36                0   \n",
       "AAAAAAAAAAAAGGAT lib1                   0                6                0   \n",
       "AAAAAAAAAAATGCAA lib2                   0              239               16   \n",
       "AAAAAAAAAAATTCGC lib1                   0              162                3   \n",
       "AAAAAAAAAACACCTA lib2                   0               22                7   \n",
       "...                                   ...              ...              ...   \n",
       "TTTTTTTGATACCAAG lib1                   0               35                0   \n",
       "TTTTTTTTCAAGATGA lib2                   0               59                5   \n",
       "TTTTTTTTCCAATCAT lib1                   0              100                0   \n",
       "TTTTTTTTCGATATGG lib1                   0              137                1   \n",
       "TTTTTTTTTAGTTAAT lib1                   0               68                5   \n",
       "\n",
       "sample                    TiteSeq_08_bin3  TiteSeq_08_bin4  TiteSeq_09_bin1  \\\n",
       "barcode          library                                                      \n",
       "AAAAAAAAAAAAACCT lib2                   0                0                1   \n",
       "AAAAAAAAAAAAGGAT lib1                   0                0                1   \n",
       "AAAAAAAAAAATGCAA lib2                   0                0              238   \n",
       "AAAAAAAAAAATTCGC lib1                   0                0              276   \n",
       "AAAAAAAAAACACCTA lib2                   0                0               54   \n",
       "...                                   ...              ...              ...   \n",
       "TTTTTTTGATACCAAG lib1                   3                0                0   \n",
       "TTTTTTTTCAAGATGA lib2                   0                0               63   \n",
       "TTTTTTTTCCAATCAT lib1                   0                0              106   \n",
       "TTTTTTTTCGATATGG lib1                   0                0              135   \n",
       "TTTTTTTTTAGTTAAT lib1                   0                0               75   \n",
       "\n",
       "sample                    TiteSeq_09_bin2  TiteSeq_09_bin3  TiteSeq_09_bin4  \n",
       "barcode          library                                                     \n",
       "AAAAAAAAAAAAACCT lib2                   1                0                0  \n",
       "AAAAAAAAAAAAGGAT lib1                   0                0                0  \n",
       "AAAAAAAAAAATGCAA lib2                   0                0                0  \n",
       "AAAAAAAAAAATTCGC lib1                   3                0                0  \n",
       "AAAAAAAAAACACCTA lib2                   0                0                0  \n",
       "...                                   ...              ...              ...  \n",
       "TTTTTTTGATACCAAG lib1                   0                0                0  \n",
       "TTTTTTTTCAAGATGA lib2                  24                0                0  \n",
       "TTTTTTTTCCAATCAT lib1                   0                0                0  \n",
       "TTTTTTTTCGATATGG lib1                   1                0                0  \n",
       "TTTTTTTTTAGTTAAT lib1                   0                0                0  \n",
       "\n",
       "[205734 rows x 40 columns]"
      ]
     },
     "execution_count": 21,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "delta_data"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "29c35b2b-d253-4e92-8c78-1677ea60afb1",
   "metadata": {},
   "source": [
    "### output binary data for delta variants"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 22,
   "id": "7dd509e2-663e-4c76-8f11-b58e4ddd82a8",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
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       "    }\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>sample</th>\n",
       "      <th>TiteSeq_04_bin4</th>\n",
       "      <th>TiteSeq_04_bin1</th>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>barcode</th>\n",
       "      <th>library</th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAAAAACCT</th>\n",
       "      <th>lib2</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAAAAGGAT</th>\n",
       "      <th>lib1</th>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAAATGCAA</th>\n",
       "      <th>lib2</th>\n",
       "      <td>0</td>\n",
       "      <td>125</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAAATTCGC</th>\n",
       "      <th>lib1</th>\n",
       "      <td>0</td>\n",
       "      <td>39</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAACACCTA</th>\n",
       "      <th>lib2</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTTGATACCAAG</th>\n",
       "      <th>lib1</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTTTCAAGATGA</th>\n",
       "      <th>lib2</th>\n",
       "      <td>0</td>\n",
       "      <td>170</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTTTCCAATCAT</th>\n",
       "      <th>lib1</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTTTCGATATGG</th>\n",
       "      <th>lib1</th>\n",
       "      <td>0</td>\n",
       "      <td>158</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTTTTAGTTAAT</th>\n",
       "      <th>lib1</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>205734 rows × 2 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "sample                    TiteSeq_04_bin4  TiteSeq_04_bin1\n",
       "barcode          library                                  \n",
       "AAAAAAAAAAAAACCT lib2                   0                0\n",
       "AAAAAAAAAAAAGGAT lib1                   0                1\n",
       "AAAAAAAAAAATGCAA lib2                   0              125\n",
       "AAAAAAAAAAATTCGC lib1                   0               39\n",
       "AAAAAAAAAACACCTA lib2                   0                0\n",
       "...                                   ...              ...\n",
       "TTTTTTTGATACCAAG lib1                   0                0\n",
       "TTTTTTTTCAAGATGA lib2                   0              170\n",
       "TTTTTTTTCCAATCAT lib1                   0                0\n",
       "TTTTTTTTCGATATGG lib1                   0              158\n",
       "TTTTTTTTTAGTTAAT lib1                   0                0\n",
       "\n",
       "[205734 rows x 2 columns]"
      ]
     },
     "execution_count": 22,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "#output delta data as if it was sorted without titeseq- one positive bin and one negative bin @ average Kd (1nM = 1e-9 M)\n",
    "bins_to_keep = ['TiteSeq_04_bin4','TiteSeq_04_bin1']\n",
    "binary_data= delta_data[bins_to_keep]\n",
    "binary_data"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 23,
   "id": "1dbd05f6-9e34-4ac3-b912-6b108217807a",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
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       "\n",
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       "    }\n",
       "\n",
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       "        text-align: left;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr>\n",
       "      <th></th>\n",
       "      <th>TiteSeq_04_bin4</th>\n",
       "      <th>TiteSeq_04_bin1</th>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>replicate</th>\n",
       "      <th>A</th>\n",
       "      <th>A</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAAAAACCT_lib2</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAAAAGGAT_lib1</th>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAAATGCAA_lib2</th>\n",
       "      <td>0</td>\n",
       "      <td>125</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAAATTCGC_lib1</th>\n",
       "      <td>0</td>\n",
       "      <td>39</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAACACCTA_lib2</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTCTGCCTCGGTATAC_lib1</th>\n",
       "      <td>0</td>\n",
       "      <td>80</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTCTGCCTGTCATTAA_lib1</th>\n",
       "      <td>0</td>\n",
       "      <td>293</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTCTGCGAAGATACCA_lib2</th>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTCTGCGACTACGGTG_lib1</th>\n",
       "      <td>0</td>\n",
       "      <td>3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTCTGCGAGACTCATT_lib1</th>\n",
       "      <td>0</td>\n",
       "      <td>233</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>199980 rows × 2 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "                      TiteSeq_04_bin4 TiteSeq_04_bin1\n",
       "replicate                           A               A\n",
       "AAAAAAAAAAAAACCT_lib2               0               0\n",
       "AAAAAAAAAAAAGGAT_lib1               0               1\n",
       "AAAAAAAAAAATGCAA_lib2               0             125\n",
       "AAAAAAAAAAATTCGC_lib1               0              39\n",
       "AAAAAAAAAACACCTA_lib2               0               0\n",
       "...                               ...             ...\n",
       "TTCTGCCTCGGTATAC_lib1               0              80\n",
       "TTCTGCCTGTCATTAA_lib1               0             293\n",
       "TTCTGCGAAGATACCA_lib2               0               0\n",
       "TTCTGCGACTACGGTG_lib1               0               3\n",
       "TTCTGCGAGACTCATT_lib1               0             233\n",
       "\n",
       "[199980 rows x 2 columns]"
      ]
     },
     "execution_count": 23,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "#prepare delta binary data for merging with barcode info\n",
    "df1 = binary_data.reset_index()\n",
    "df1['replicate'] = 'A'\n",
    "chunk_size = 10000\n",
    "chunks = [x for x in range(0, df1.shape[0], chunk_size)]\n",
    "df1 = pd.concat([df1.iloc[ chunks[i]:chunks[i + 1] - 1 ].pivot(index=['barcode','library'], columns='replicate', values=['TiteSeq_04_bin4','TiteSeq_04_bin1']\n",
    ") for i in range(0, len(chunks) - 1)])\n",
    "df1 = df1.set_index(df1.index.get_level_values(0) + '_' + df1.index.get_level_values(1))\n",
    "df1"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 24,
   "id": "840f4b74-61eb-4345-8b84-d1d2f10e5e55",
   "metadata": {},
   "outputs": [],
   "source": [
    "#calculate frequencies for delta\n",
    "delta_data = getFrequencies(delta_data)\n",
    "\n",
    "#filter data for delta\n",
    "bin_read_fraction=0.5 #quality control parameter\n",
    "bin_read_threshold=1 #quality control parameter\n",
    "bimodal_removal=True #quality control parameter\n",
    "bimodal_removal_threshold=0.8 #quality control parameter\n",
    "minimum_fraction_removal=0 #quality control parameter\n",
    "num_bins=4 #from experiment set-up\n",
    "num_concs=10 #from experiment set-up\n",
    "delta_filtered_bin_frequencies,delta_masked_concs = filterClones(delta_data,bin_read_fraction,bin_read_threshold,bimodal_removal,bimodal_removal_threshold,\n",
    "                 minimum_fraction_removal,num_bins,num_concs)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 25,
   "id": "a892c671-394e-486f-b123-cadf76e0794d",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
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       "\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>sample</th>\n",
       "      <th>SortSeq_bin1</th>\n",
       "      <th>SortSeq_bin2</th>\n",
       "      <th>SortSeq_bin3</th>\n",
       "      <th>SortSeq_bin4</th>\n",
       "      <th>TiteSeq_01_bin1</th>\n",
       "      <th>TiteSeq_01_bin2</th>\n",
       "      <th>TiteSeq_01_bin3</th>\n",
       "      <th>TiteSeq_01_bin4</th>\n",
       "      <th>TiteSeq_02_bin1</th>\n",
       "      <th>TiteSeq_02_bin2</th>\n",
       "      <th>...</th>\n",
       "      <th>TiteSeq_07_bin3</th>\n",
       "      <th>TiteSeq_07_bin4</th>\n",
       "      <th>TiteSeq_08_bin1</th>\n",
       "      <th>TiteSeq_08_bin2</th>\n",
       "      <th>TiteSeq_08_bin3</th>\n",
       "      <th>TiteSeq_08_bin4</th>\n",
       "      <th>TiteSeq_09_bin1</th>\n",
       "      <th>TiteSeq_09_bin2</th>\n",
       "      <th>TiteSeq_09_bin3</th>\n",
       "      <th>TiteSeq_09_bin4</th>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>barcode</th>\n",
       "      <th>library</th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAAATTCGC</th>\n",
       "      <th>lib1</th>\n",
       "      <td>1.635078e-06</td>\n",
       "      <td>2.891586e-06</td>\n",
       "      <td>9.547434e-06</td>\n",
       "      <td>5.315912e-06</td>\n",
       "      <td>0.000000e+00</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>6.068631e-06</td>\n",
       "      <td>1.133382e-05</td>\n",
       "      <td>0.000000e+00</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.000004</td>\n",
       "      <td>2.374364e-06</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>7.271320e-06</td>\n",
       "      <td>0.000004</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAACCTAAC</th>\n",
       "      <th>lib1</th>\n",
       "      <td>4.905235e-06</td>\n",
       "      <td>3.975930e-06</td>\n",
       "      <td>1.442381e-05</td>\n",
       "      <td>1.690634e-05</td>\n",
       "      <td>0.000000e+00</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>4.741118e-06</td>\n",
       "      <td>1.561480e-05</td>\n",
       "      <td>0.000000e+00</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.000014</td>\n",
       "      <td>9.497458e-06</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.643951e-05</td>\n",
       "      <td>0.000004</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAAGACGAG</th>\n",
       "      <th>lib2</th>\n",
       "      <td>1.123228e-05</td>\n",
       "      <td>1.052718e-05</td>\n",
       "      <td>6.672938e-07</td>\n",
       "      <td>5.228766e-07</td>\n",
       "      <td>2.439864e-05</td>\n",
       "      <td>0.000006</td>\n",
       "      <td>1.896447e-07</td>\n",
       "      <td>2.771858e-07</td>\n",
       "      <td>1.437954e-05</td>\n",
       "      <td>0.000004</td>\n",
       "      <td>...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.000002</td>\n",
       "      <td>6.331639e-06</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.238232e-06</td>\n",
       "      <td>0.000010</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAACGCCACT</th>\n",
       "      <th>lib2</th>\n",
       "      <td>2.466836e-05</td>\n",
       "      <td>3.736471e-05</td>\n",
       "      <td>7.494222e-06</td>\n",
       "      <td>1.176472e-06</td>\n",
       "      <td>7.606635e-05</td>\n",
       "      <td>0.000021</td>\n",
       "      <td>4.361828e-06</td>\n",
       "      <td>1.231937e-07</td>\n",
       "      <td>8.553986e-05</td>\n",
       "      <td>0.000034</td>\n",
       "      <td>...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.000017</td>\n",
       "      <td>2.374364e-05</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>5.321763e-06</td>\n",
       "      <td>0.000032</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAATCTTGAA</th>\n",
       "      <th>lib1</th>\n",
       "      <td>1.450243e-05</td>\n",
       "      <td>2.209352e-05</td>\n",
       "      <td>3.315937e-05</td>\n",
       "      <td>2.919395e-06</td>\n",
       "      <td>8.922248e-05</td>\n",
       "      <td>0.000059</td>\n",
       "      <td>5.689341e-07</td>\n",
       "      <td>1.509123e-06</td>\n",
       "      <td>8.683033e-05</td>\n",
       "      <td>0.000060</td>\n",
       "      <td>...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.000109</td>\n",
       "      <td>0.000027</td>\n",
       "      <td>7.914548e-07</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.578087e-05</td>\n",
       "      <td>0.000005</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\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",
       "      <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",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTAGATAATGCC</th>\n",
       "      <th>lib2</th>\n",
       "      <td>3.056886e-06</td>\n",
       "      <td>5.331361e-06</td>\n",
       "      <td>1.303789e-05</td>\n",
       "      <td>2.135080e-05</td>\n",
       "      <td>0.000000e+00</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>4.172184e-06</td>\n",
       "      <td>1.139542e-05</td>\n",
       "      <td>0.000000e+00</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.000009</td>\n",
       "      <td>3.244965e-05</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>7.113247e-06</td>\n",
       "      <td>0.000006</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTCAAAAACAGA</th>\n",
       "      <th>lib1</th>\n",
       "      <td>2.630343e-06</td>\n",
       "      <td>2.259051e-06</td>\n",
       "      <td>7.699543e-06</td>\n",
       "      <td>7.450992e-06</td>\n",
       "      <td>7.176070e-07</td>\n",
       "      <td>0.000007</td>\n",
       "      <td>3.546356e-05</td>\n",
       "      <td>3.788206e-06</td>\n",
       "      <td>5.530594e-07</td>\n",
       "      <td>0.000016</td>\n",
       "      <td>...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.000012</td>\n",
       "      <td>1.108037e-05</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.124947e-05</td>\n",
       "      <td>0.000001</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTCGTGCATCGG</th>\n",
       "      <th>lib2</th>\n",
       "      <td>7.109036e-06</td>\n",
       "      <td>1.012055e-05</td>\n",
       "      <td>1.391051e-05</td>\n",
       "      <td>1.337693e-05</td>\n",
       "      <td>0.000000e+00</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>7.585789e-07</td>\n",
       "      <td>2.312962e-05</td>\n",
       "      <td>0.000000e+00</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.000016</td>\n",
       "      <td>6.331639e-06</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.119678e-05</td>\n",
       "      <td>0.000022</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTGATCGCACGA</th>\n",
       "      <th>lib2</th>\n",
       "      <td>7.109036e-08</td>\n",
       "      <td>6.325344e-07</td>\n",
       "      <td>3.849772e-06</td>\n",
       "      <td>5.010901e-06</td>\n",
       "      <td>0.000000e+00</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>5.689341e-07</td>\n",
       "      <td>1.509123e-06</td>\n",
       "      <td>0.000000e+00</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.000003</td>\n",
       "      <td>4.432147e-05</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>4.215258e-07</td>\n",
       "      <td>0.000004</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTGGGATCATTT</th>\n",
       "      <th>lib2</th>\n",
       "      <td>2.914705e-06</td>\n",
       "      <td>1.472901e-05</td>\n",
       "      <td>9.188122e-06</td>\n",
       "      <td>2.745102e-06</td>\n",
       "      <td>0.000000e+00</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>5.310052e-06</td>\n",
       "      <td>6.837250e-06</td>\n",
       "      <td>0.000000e+00</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.000009</td>\n",
       "      <td>7.914548e-07</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>2.713572e-06</td>\n",
       "      <td>0.000026</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>38811 rows × 40 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "sample                    SortSeq_bin1  SortSeq_bin2  SortSeq_bin3  \\\n",
       "barcode          library                                             \n",
       "AAAAAAAAAAATTCGC lib1     1.635078e-06  2.891586e-06  9.547434e-06   \n",
       "AAAAAAAAAACCTAAC lib1     4.905235e-06  3.975930e-06  1.442381e-05   \n",
       "AAAAAAAAAAGACGAG lib2     1.123228e-05  1.052718e-05  6.672938e-07   \n",
       "AAAAAAAAACGCCACT lib2     2.466836e-05  3.736471e-05  7.494222e-06   \n",
       "AAAAAAAAATCTTGAA lib1     1.450243e-05  2.209352e-05  3.315937e-05   \n",
       "...                                ...           ...           ...   \n",
       "TTTTTTAGATAATGCC lib2     3.056886e-06  5.331361e-06  1.303789e-05   \n",
       "TTTTTTCAAAAACAGA lib1     2.630343e-06  2.259051e-06  7.699543e-06   \n",
       "TTTTTTCGTGCATCGG lib2     7.109036e-06  1.012055e-05  1.391051e-05   \n",
       "TTTTTTGATCGCACGA lib2     7.109036e-08  6.325344e-07  3.849772e-06   \n",
       "TTTTTTGGGATCATTT lib2     2.914705e-06  1.472901e-05  9.188122e-06   \n",
       "\n",
       "sample                    SortSeq_bin4  TiteSeq_01_bin1  TiteSeq_01_bin2  \\\n",
       "barcode          library                                                   \n",
       "AAAAAAAAAAATTCGC lib1     5.315912e-06     0.000000e+00         0.000000   \n",
       "AAAAAAAAAACCTAAC lib1     1.690634e-05     0.000000e+00         0.000000   \n",
       "AAAAAAAAAAGACGAG lib2     5.228766e-07     2.439864e-05         0.000006   \n",
       "AAAAAAAAACGCCACT lib2     1.176472e-06     7.606635e-05         0.000021   \n",
       "AAAAAAAAATCTTGAA lib1     2.919395e-06     8.922248e-05         0.000059   \n",
       "...                                ...              ...              ...   \n",
       "TTTTTTAGATAATGCC lib2     2.135080e-05     0.000000e+00         0.000000   \n",
       "TTTTTTCAAAAACAGA lib1     7.450992e-06     7.176070e-07         0.000007   \n",
       "TTTTTTCGTGCATCGG lib2     1.337693e-05     0.000000e+00         0.000000   \n",
       "TTTTTTGATCGCACGA lib2     5.010901e-06     0.000000e+00         0.000000   \n",
       "TTTTTTGGGATCATTT lib2     2.745102e-06     0.000000e+00         0.000000   \n",
       "\n",
       "sample                    TiteSeq_01_bin3  TiteSeq_01_bin4  TiteSeq_02_bin1  \\\n",
       "barcode          library                                                      \n",
       "AAAAAAAAAAATTCGC lib1        6.068631e-06     1.133382e-05     0.000000e+00   \n",
       "AAAAAAAAAACCTAAC lib1        4.741118e-06     1.561480e-05     0.000000e+00   \n",
       "AAAAAAAAAAGACGAG lib2        1.896447e-07     2.771858e-07     1.437954e-05   \n",
       "AAAAAAAAACGCCACT lib2        4.361828e-06     1.231937e-07     8.553986e-05   \n",
       "AAAAAAAAATCTTGAA lib1        5.689341e-07     1.509123e-06     8.683033e-05   \n",
       "...                                   ...              ...              ...   \n",
       "TTTTTTAGATAATGCC lib2        4.172184e-06     1.139542e-05     0.000000e+00   \n",
       "TTTTTTCAAAAACAGA lib1        3.546356e-05     3.788206e-06     5.530594e-07   \n",
       "TTTTTTCGTGCATCGG lib2        7.585789e-07     2.312962e-05     0.000000e+00   \n",
       "TTTTTTGATCGCACGA lib2        5.689341e-07     1.509123e-06     0.000000e+00   \n",
       "TTTTTTGGGATCATTT lib2        5.310052e-06     6.837250e-06     0.000000e+00   \n",
       "\n",
       "sample                    TiteSeq_02_bin2  ...  TiteSeq_07_bin3  \\\n",
       "barcode          library                   ...                    \n",
       "AAAAAAAAAAATTCGC lib1            0.000000  ...              0.0   \n",
       "AAAAAAAAAACCTAAC lib1            0.000000  ...              0.0   \n",
       "AAAAAAAAAAGACGAG lib2            0.000004  ...              0.0   \n",
       "AAAAAAAAACGCCACT lib2            0.000034  ...              0.0   \n",
       "AAAAAAAAATCTTGAA lib1            0.000060  ...              0.0   \n",
       "...                                   ...  ...              ...   \n",
       "TTTTTTAGATAATGCC lib2            0.000000  ...              0.0   \n",
       "TTTTTTCAAAAACAGA lib1            0.000016  ...              0.0   \n",
       "TTTTTTCGTGCATCGG lib2            0.000000  ...              0.0   \n",
       "TTTTTTGATCGCACGA lib2            0.000000  ...              0.0   \n",
       "TTTTTTGGGATCATTT lib2            0.000000  ...              0.0   \n",
       "\n",
       "sample                    TiteSeq_07_bin4  TiteSeq_08_bin1  TiteSeq_08_bin2  \\\n",
       "barcode          library                                                      \n",
       "AAAAAAAAAAATTCGC lib1            0.000000         0.000004     2.374364e-06   \n",
       "AAAAAAAAAACCTAAC lib1            0.000000         0.000014     9.497458e-06   \n",
       "AAAAAAAAAAGACGAG lib2            0.000000         0.000002     6.331639e-06   \n",
       "AAAAAAAAACGCCACT lib2            0.000000         0.000017     2.374364e-05   \n",
       "AAAAAAAAATCTTGAA lib1            0.000109         0.000027     7.914548e-07   \n",
       "...                                   ...              ...              ...   \n",
       "TTTTTTAGATAATGCC lib2            0.000000         0.000009     3.244965e-05   \n",
       "TTTTTTCAAAAACAGA lib1            0.000000         0.000012     1.108037e-05   \n",
       "TTTTTTCGTGCATCGG lib2            0.000000         0.000016     6.331639e-06   \n",
       "TTTTTTGATCGCACGA lib2            0.000000         0.000003     4.432147e-05   \n",
       "TTTTTTGGGATCATTT lib2            0.000000         0.000009     7.914548e-07   \n",
       "\n",
       "sample                    TiteSeq_08_bin3  TiteSeq_08_bin4  TiteSeq_09_bin1  \\\n",
       "barcode          library                                                      \n",
       "AAAAAAAAAAATTCGC lib1                 0.0              0.0     7.271320e-06   \n",
       "AAAAAAAAAACCTAAC lib1                 0.0              0.0     1.643951e-05   \n",
       "AAAAAAAAAAGACGAG lib2                 0.0              0.0     1.238232e-06   \n",
       "AAAAAAAAACGCCACT lib2                 0.0              0.0     5.321763e-06   \n",
       "AAAAAAAAATCTTGAA lib1                 0.0              0.0     1.578087e-05   \n",
       "...                                   ...              ...              ...   \n",
       "TTTTTTAGATAATGCC lib2                 0.0              0.0     7.113247e-06   \n",
       "TTTTTTCAAAAACAGA lib1                 0.0              0.0     1.124947e-05   \n",
       "TTTTTTCGTGCATCGG lib2                 0.0              0.0     1.119678e-05   \n",
       "TTTTTTGATCGCACGA lib2                 0.0              0.0     4.215258e-07   \n",
       "TTTTTTGGGATCATTT lib2                 0.0              0.0     2.713572e-06   \n",
       "\n",
       "sample                    TiteSeq_09_bin2  TiteSeq_09_bin3  TiteSeq_09_bin4  \n",
       "barcode          library                                                     \n",
       "AAAAAAAAAAATTCGC lib1            0.000004              0.0              0.0  \n",
       "AAAAAAAAAACCTAAC lib1            0.000004              0.0              0.0  \n",
       "AAAAAAAAAAGACGAG lib2            0.000010              0.0              0.0  \n",
       "AAAAAAAAACGCCACT lib2            0.000032              0.0              0.0  \n",
       "AAAAAAAAATCTTGAA lib1            0.000005              0.0              0.0  \n",
       "...                                   ...              ...              ...  \n",
       "TTTTTTAGATAATGCC lib2            0.000006              0.0              0.0  \n",
       "TTTTTTCAAAAACAGA lib1            0.000001              0.0              0.0  \n",
       "TTTTTTCGTGCATCGG lib2            0.000022              0.0              0.0  \n",
       "TTTTTTGATCGCACGA lib2            0.000004              0.0              0.0  \n",
       "TTTTTTGGGATCATTT lib2            0.000026              0.0              0.0  \n",
       "\n",
       "[38811 rows x 40 columns]"
      ]
     },
     "execution_count": 25,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "delta_filtered_bin_frequencies"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 26,
   "id": "5246f4a2-fa82-4cc8-8b1a-e7834eb5b529",
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "/sw/pkgs/arc/python3.9-anaconda/2021.11/lib/python3.9/site-packages/scipy/optimize/minpack.py:833: OptimizeWarning: Covariance of the parameters could not be estimated\n",
      "  warnings.warn('Covariance of the parameters could not be estimated',\n",
      "/sw/pkgs/arc/python3.9-anaconda/2021.11/lib/python3.9/site-packages/scipy/optimize/minpack.py:833: OptimizeWarning: Covariance of the parameters could not be estimated\n",
      "  warnings.warn('Covariance of the parameters could not be estimated',\n",
      "/sw/pkgs/arc/python3.9-anaconda/2021.11/lib/python3.9/site-packages/scipy/optimize/minpack.py:833: OptimizeWarning: Covariance of the parameters could not be estimated\n",
      "  warnings.warn('Covariance of the parameters could not be estimated',\n",
      "/sw/pkgs/arc/python3.9-anaconda/2021.11/lib/python3.9/site-packages/scipy/optimize/minpack.py:833: OptimizeWarning: Covariance of the parameters could not be estimated\n",
      "  warnings.warn('Covariance of the parameters could not be estimated',\n",
      "/sw/pkgs/arc/python3.9-anaconda/2021.11/lib/python3.9/site-packages/scipy/optimize/minpack.py:833: OptimizeWarning: Covariance of the parameters could not be estimated\n",
      "  warnings.warn('Covariance of the parameters could not be estimated',\n",
      "/sw/pkgs/arc/python3.9-anaconda/2021.11/lib/python3.9/site-packages/scipy/optimize/minpack.py:833: OptimizeWarning: Covariance of the parameters could not be estimated\n",
      "  warnings.warn('Covariance of the parameters could not be estimated',\n",
      "/sw/pkgs/arc/python3.9-anaconda/2021.11/lib/python3.9/site-packages/scipy/optimize/minpack.py:833: OptimizeWarning: Covariance of the parameters could not be estimated\n",
      "  warnings.warn('Covariance of the parameters could not be estimated',\n",
      "/sw/pkgs/arc/python3.9-anaconda/2021.11/lib/python3.9/site-packages/scipy/optimize/minpack.py:833: OptimizeWarning: Covariance of the parameters could not be estimated\n",
      "  warnings.warn('Covariance of the parameters could not be estimated',\n",
      "/sw/pkgs/arc/python3.9-anaconda/2021.11/lib/python3.9/site-packages/scipy/optimize/minpack.py:833: OptimizeWarning: Covariance of the parameters could not be estimated\n",
      "  warnings.warn('Covariance of the parameters could not be estimated',\n",
      "/sw/pkgs/arc/python3.9-anaconda/2021.11/lib/python3.9/site-packages/scipy/optimize/minpack.py:833: OptimizeWarning: Covariance of the parameters could not be estimated\n",
      "  warnings.warn('Covariance of the parameters could not be estimated',\n",
      "/sw/pkgs/arc/python3.9-anaconda/2021.11/lib/python3.9/site-packages/scipy/optimize/minpack.py:833: OptimizeWarning: Covariance of the parameters could not be estimated\n",
      "  warnings.warn('Covariance of the parameters could not be estimated',\n",
      "/sw/pkgs/arc/python3.9-anaconda/2021.11/lib/python3.9/site-packages/scipy/optimize/minpack.py:833: OptimizeWarning: Covariance of the parameters could not be estimated\n",
      "  warnings.warn('Covariance of the parameters could not be estimated',\n",
      "/sw/pkgs/arc/python3.9-anaconda/2021.11/lib/python3.9/site-packages/scipy/optimize/minpack.py:833: OptimizeWarning: Covariance of the parameters could not be estimated\n",
      "  warnings.warn('Covariance of the parameters could not be estimated',\n",
      "/sw/pkgs/arc/python3.9-anaconda/2021.11/lib/python3.9/site-packages/scipy/optimize/minpack.py:833: OptimizeWarning: Covariance of the parameters could not be estimated\n",
      "  warnings.warn('Covariance of the parameters could not be estimated',\n",
      "/sw/pkgs/arc/python3.9-anaconda/2021.11/lib/python3.9/site-packages/scipy/optimize/minpack.py:833: OptimizeWarning: Covariance of the parameters could not be estimated\n",
      "  warnings.warn('Covariance of the parameters could not be estimated',\n",
      "/sw/pkgs/arc/python3.9-anaconda/2021.11/lib/python3.9/site-packages/scipy/optimize/minpack.py:833: OptimizeWarning: Covariance of the parameters could not be estimated\n",
      "  warnings.warn('Covariance of the parameters could not be estimated',\n"
     ]
    }
   ],
   "source": [
    "#get delta data ready for fit\n",
    "delta_fit_data = getBinScores(delta_data,delta_masked_concs,num_concs=num_concs,num_bins=num_bins)\n",
    "\n",
    "#concentrations are same for delta as for others\n",
    "concs = [0,1e-13,1e-12,1e-11,1e-10,1e-9,1e-8,1e-7,1e-6,'sortseq'][::-1]\n",
    "\n",
    "# fit entire delta dataset\n",
    "ncpus = 16\n",
    "delta_fit_params = multiprocessFit(delta_fit_data,ncpus,concs,n_bins=4,verbose=False)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 27,
   "id": "6177f42a-30a0-47ff-84ea-9b8632501e00",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "<AxesSubplot:xlabel='Affinity [M]', ylabel='Count'>"
      ]
     },
     "execution_count": 27,
     "metadata": {},
     "output_type": "execute_result"
    },
    {
     "data": {
      "image/png": "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\n",
      "text/plain": [
       "<Figure size 432x288 with 1 Axes>"
      ]
     },
     "metadata": {
      "needs_background": "light"
     },
     "output_type": "display_data"
    }
   ],
   "source": [
    "#plot delta distributions of Kds\n",
    "plotDatasetHistogram(delta_fit_params,concs)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 28,
   "id": "ed7bfdc9-5979-46b2-92f2-5cb6569416fe",
   "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></th>\n",
       "      <th>Kd</th>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>barcode</th>\n",
       "      <th>library</th>\n",
       "      <th></th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAAAAACCT</th>\n",
       "      <th>lib2</th>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAAATGCAA</th>\n",
       "      <th>lib2</th>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAAATTCGC</th>\n",
       "      <th>lib1</th>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAACACCTA</th>\n",
       "      <th>lib2</th>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAACCTAAC</th>\n",
       "      <th>lib1</th>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTTATTAACAGA</th>\n",
       "      <th>lib1</th>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTTCTGGATCCT</th>\n",
       "      <th>lib2</th>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTTCTGTGAAGT</th>\n",
       "      <th>lib2</th>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTTTCCAATCAT</th>\n",
       "      <th>lib1</th>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTTTTAGTTAAT</th>\n",
       "      <th>lib1</th>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>159138 rows × 1 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "                           Kd\n",
       "barcode          library     \n",
       "AAAAAAAAAAAAACCT lib2     0.0\n",
       "AAAAAAAAAAATGCAA lib2     0.0\n",
       "AAAAAAAAAAATTCGC lib1     0.0\n",
       "AAAAAAAAAACACCTA lib2     0.0\n",
       "AAAAAAAAAACCTAAC lib1     0.0\n",
       "...                       ...\n",
       "TTTTTTTATTAACAGA lib1     0.0\n",
       "TTTTTTTCTGGATCCT lib2     0.0\n",
       "TTTTTTTCTGTGAAGT lib2     0.0\n",
       "TTTTTTTTCCAATCAT lib1     0.0\n",
       "TTTTTTTTTAGTTAAT lib1     0.0\n",
       "\n",
       "[159138 rows x 1 columns]"
      ]
     },
     "execution_count": 28,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "#match barcodes with mutations (delta)\n",
    "delta_good_fit_params = delta_fit_params.loc[delta_fit_params['Kd'] > 0.1*np.ma.masked_equal(concs[1:], 0.0, copy=False).min()][['Kd']]\n",
    "delta_good_fit_params"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 29,
   "id": "8109a762-d49b-4adb-9df5-38d3e23dc81a",
   "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>Kd</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAAAAACCT_lib2</th>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAAATGCAA_lib2</th>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAAATTCGC_lib1</th>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAACACCTA_lib2</th>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAACCTAAC_lib1</th>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTTATTAACAGA_lib1</th>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTTCTGGATCCT_lib2</th>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTTCTGTGAAGT_lib2</th>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTTTCCAATCAT_lib1</th>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTTTTAGTTAAT_lib1</th>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>159138 rows × 1 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "                        Kd\n",
       "AAAAAAAAAAAAACCT_lib2  0.0\n",
       "AAAAAAAAAAATGCAA_lib2  0.0\n",
       "AAAAAAAAAAATTCGC_lib1  0.0\n",
       "AAAAAAAAAACACCTA_lib2  0.0\n",
       "AAAAAAAAAACCTAAC_lib1  0.0\n",
       "...                    ...\n",
       "TTTTTTTATTAACAGA_lib1  0.0\n",
       "TTTTTTTCTGGATCCT_lib2  0.0\n",
       "TTTTTTTCTGTGAAGT_lib2  0.0\n",
       "TTTTTTTTCCAATCAT_lib1  0.0\n",
       "TTTTTTTTTAGTTAAT_lib1  0.0\n",
       "\n",
       "[159138 rows x 1 columns]"
      ]
     },
     "execution_count": 29,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "#rearrange delta dataframe for merging\n",
    "delta_good_fit_params = delta_good_fit_params.reset_index()\n",
    "delta_good_fit_params = delta_good_fit_params.set_index(delta_good_fit_params['barcode'] + '_' + delta_good_fit_params['library'])\n",
    "delta_good_fit_params = delta_good_fit_params.drop(columns=['barcode','library'])\n",
    "delta_good_fit_params"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 30,
   "id": "071977cd-8cd4-40e9-8068-6361d236fb5f",
   "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>target</th>\n",
       "      <th>variant_call_support</th>\n",
       "      <th>codon_substitutions</th>\n",
       "      <th>aa_substitutions</th>\n",
       "      <th>n_codon_substitutions</th>\n",
       "      <th>n_aa_substitutions</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>TTAAATCTACTAAAAG_lib1</th>\n",
       "      <td>Delta</td>\n",
       "      <td>80</td>\n",
       "      <td>CAG176CCA</td>\n",
       "      <td>Q176P</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAGCTCCCACCCGA_lib1</th>\n",
       "      <td>Delta</td>\n",
       "      <td>31</td>\n",
       "      <td>GGT9GAT CAG176CCA</td>\n",
       "      <td>G9D Q176P</td>\n",
       "      <td>2</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AATGACATGGAGCTTA_lib1</th>\n",
       "      <td>Delta</td>\n",
       "      <td>92</td>\n",
       "      <td>TTC70GAT AAC171AGA</td>\n",
       "      <td>F70D N171R</td>\n",
       "      <td>2</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TCACAATATCGCGTGT_lib1</th>\n",
       "      <td>Delta</td>\n",
       "      <td>59</td>\n",
       "      <td>GGC86TTT CTG95CTT GCA192TTG</td>\n",
       "      <td>G86F A192L</td>\n",
       "      <td>3</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ATCCAAACAAATTGCA_lib1</th>\n",
       "      <td>Delta</td>\n",
       "      <td>65</td>\n",
       "      <td>GGA172TCT</td>\n",
       "      <td>G172S</td>\n",
       "      <td>1</td>\n",
       "      <td>1</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTGGAGTTTCGG_lib2</th>\n",
       "      <td>Delta</td>\n",
       "      <td>8</td>\n",
       "      <td>GTA37ATG</td>\n",
       "      <td>V37M</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTGGGATCATTT_lib2</th>\n",
       "      <td>Delta</td>\n",
       "      <td>12</td>\n",
       "      <td>TTA162TGT</td>\n",
       "      <td>L162C</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTGTATATGCCA_lib2</th>\n",
       "      <td>Delta</td>\n",
       "      <td>12</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTTACCGCCTTT_lib2</th>\n",
       "      <td>Delta</td>\n",
       "      <td>5</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTTCTGTGAAGT_lib2</th>\n",
       "      <td>Delta</td>\n",
       "      <td>4</td>\n",
       "      <td>GTA153TTG</td>\n",
       "      <td>V153L</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>205734 rows × 6 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "                      target  variant_call_support  \\\n",
       "TTAAATCTACTAAAAG_lib1  Delta                    80   \n",
       "AAAAGCTCCCACCCGA_lib1  Delta                    31   \n",
       "AATGACATGGAGCTTA_lib1  Delta                    92   \n",
       "TCACAATATCGCGTGT_lib1  Delta                    59   \n",
       "ATCCAAACAAATTGCA_lib1  Delta                    65   \n",
       "...                      ...                   ...   \n",
       "TTTTTTGGAGTTTCGG_lib2  Delta                     8   \n",
       "TTTTTTGGGATCATTT_lib2  Delta                    12   \n",
       "TTTTTTGTATATGCCA_lib2  Delta                    12   \n",
       "TTTTTTTACCGCCTTT_lib2  Delta                     5   \n",
       "TTTTTTTCTGTGAAGT_lib2  Delta                     4   \n",
       "\n",
       "                               codon_substitutions aa_substitutions  \\\n",
       "TTAAATCTACTAAAAG_lib1                    CAG176CCA            Q176P   \n",
       "AAAAGCTCCCACCCGA_lib1            GGT9GAT CAG176CCA        G9D Q176P   \n",
       "AATGACATGGAGCTTA_lib1           TTC70GAT AAC171AGA       F70D N171R   \n",
       "TCACAATATCGCGTGT_lib1  GGC86TTT CTG95CTT GCA192TTG       G86F A192L   \n",
       "ATCCAAACAAATTGCA_lib1                    GGA172TCT            G172S   \n",
       "...                                            ...              ...   \n",
       "TTTTTTGGAGTTTCGG_lib2                     GTA37ATG             V37M   \n",
       "TTTTTTGGGATCATTT_lib2                    TTA162TGT            L162C   \n",
       "TTTTTTGTATATGCCA_lib2                          NaN              NaN   \n",
       "TTTTTTTACCGCCTTT_lib2                          NaN              NaN   \n",
       "TTTTTTTCTGTGAAGT_lib2                    GTA153TTG            V153L   \n",
       "\n",
       "                       n_codon_substitutions  n_aa_substitutions  \n",
       "TTAAATCTACTAAAAG_lib1                      1                   1  \n",
       "AAAAGCTCCCACCCGA_lib1                      2                   2  \n",
       "AATGACATGGAGCTTA_lib1                      2                   2  \n",
       "TCACAATATCGCGTGT_lib1                      3                   2  \n",
       "ATCCAAACAAATTGCA_lib1                      1                   1  \n",
       "...                                      ...                 ...  \n",
       "TTTTTTGGAGTTTCGG_lib2                      1                   1  \n",
       "TTTTTTGGGATCATTT_lib2                      1                   1  \n",
       "TTTTTTGTATATGCCA_lib2                      0                   0  \n",
       "TTTTTTTACCGCCTTT_lib2                      0                   0  \n",
       "TTTTTTTCTGTGAAGT_lib2                      1                   1  \n",
       "\n",
       "[205734 rows x 6 columns]"
      ]
     },
     "execution_count": 30,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "#rearrange delta barcode dataframe for merging\n",
    "delta_to_merge = delta_vc[['target','library','barcode','variant_call_support','codon_substitutions','aa_substitutions','n_codon_substitutions','n_aa_substitutions']]\n",
    "delta_to_merge = delta_to_merge.set_index(delta_to_merge['barcode'] + '_' + delta_to_merge['library'])\n",
    "delta_to_merge = delta_to_merge.drop_duplicates()\n",
    "delta_to_merge = delta_to_merge.drop(columns=['barcode','library'])\n",
    "delta_to_merge"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 31,
   "id": "df4cadae-8365-45e8-9dbe-382327a8a1bc",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
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       "\n",
       "    .dataframe tbody tr th {\n",
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       "    }\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>Kd</th>\n",
       "      <th>target</th>\n",
       "      <th>variant_call_support</th>\n",
       "      <th>codon_substitutions</th>\n",
       "      <th>aa_substitutions</th>\n",
       "      <th>n_codon_substitutions</th>\n",
       "      <th>n_aa_substitutions</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAAAAACCT_lib2</th>\n",
       "      <td>0.0</td>\n",
       "      <td>Delta</td>\n",
       "      <td>2</td>\n",
       "      <td>AAC4TAT ATT142TTG</td>\n",
       "      <td>N4Y I142L</td>\n",
       "      <td>2</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAAATGCAA_lib2</th>\n",
       "      <td>0.0</td>\n",
       "      <td>Delta</td>\n",
       "      <td>7</td>\n",
       "      <td>GAA154TTT</td>\n",
       "      <td>E154F</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAAATTCGC_lib1</th>\n",
       "      <td>0.0</td>\n",
       "      <td>Delta</td>\n",
       "      <td>8</td>\n",
       "      <td>AAG48TAT</td>\n",
       "      <td>K48Y</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAACACCTA_lib2</th>\n",
       "      <td>0.0</td>\n",
       "      <td>Delta</td>\n",
       "      <td>2</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAAAAAAACCTAAC_lib1</th>\n",
       "      <td>0.0</td>\n",
       "      <td>Delta</td>\n",
       "      <td>17</td>\n",
       "      <td>GGG146GAT</td>\n",
       "      <td>G146D</td>\n",
       "      <td>1</td>\n",
       "      <td>1</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>TTTTTCAAAACACACA_lib2</th>\n",
       "      <td>NaN</td>\n",
       "      <td>Delta</td>\n",
       "      <td>1</td>\n",
       "      <td>GTC173ATG</td>\n",
       "      <td>V173M</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTCGAAACTTATT_lib2</th>\n",
       "      <td>NaN</td>\n",
       "      <td>Delta</td>\n",
       "      <td>1</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTGATATGACAGG_lib2</th>\n",
       "      <td>NaN</td>\n",
       "      <td>Delta</td>\n",
       "      <td>1</td>\n",
       "      <td>TTC8GTT TTT62CAT</td>\n",
       "      <td>F8V F62H</td>\n",
       "      <td>2</td>\n",
       "      <td>2</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTAAACGGAATA_lib2</th>\n",
       "      <td>NaN</td>\n",
       "      <td>Delta</td>\n",
       "      <td>1</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTAATAATTGCT_lib2</th>\n",
       "      <td>NaN</td>\n",
       "      <td>Delta</td>\n",
       "      <td>2</td>\n",
       "      <td>GCA89GGT</td>\n",
       "      <td>A89G</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>205734 rows × 7 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "                        Kd target  variant_call_support codon_substitutions  \\\n",
       "AAAAAAAAAAAAACCT_lib2  0.0  Delta                     2   AAC4TAT ATT142TTG   \n",
       "AAAAAAAAAAATGCAA_lib2  0.0  Delta                     7           GAA154TTT   \n",
       "AAAAAAAAAAATTCGC_lib1  0.0  Delta                     8            AAG48TAT   \n",
       "AAAAAAAAAACACCTA_lib2  0.0  Delta                     2                 NaN   \n",
       "AAAAAAAAAACCTAAC_lib1  0.0  Delta                    17           GGG146GAT   \n",
       "...                    ...    ...                   ...                 ...   \n",
       "TTTTTCAAAACACACA_lib2  NaN  Delta                     1           GTC173ATG   \n",
       "TTTTTCGAAACTTATT_lib2  NaN  Delta                     1                 NaN   \n",
       "TTTTTGATATGACAGG_lib2  NaN  Delta                     1    TTC8GTT TTT62CAT   \n",
       "TTTTTTAAACGGAATA_lib2  NaN  Delta                     1                 NaN   \n",
       "TTTTTTAATAATTGCT_lib2  NaN  Delta                     2            GCA89GGT   \n",
       "\n",
       "                      aa_substitutions  n_codon_substitutions  \\\n",
       "AAAAAAAAAAAAACCT_lib2        N4Y I142L                      2   \n",
       "AAAAAAAAAAATGCAA_lib2            E154F                      1   \n",
       "AAAAAAAAAAATTCGC_lib1             K48Y                      1   \n",
       "AAAAAAAAAACACCTA_lib2              NaN                      0   \n",
       "AAAAAAAAAACCTAAC_lib1            G146D                      1   \n",
       "...                                ...                    ...   \n",
       "TTTTTCAAAACACACA_lib2            V173M                      1   \n",
       "TTTTTCGAAACTTATT_lib2              NaN                      0   \n",
       "TTTTTGATATGACAGG_lib2         F8V F62H                      2   \n",
       "TTTTTTAAACGGAATA_lib2              NaN                      0   \n",
       "TTTTTTAATAATTGCT_lib2             A89G                      1   \n",
       "\n",
       "                       n_aa_substitutions  \n",
       "AAAAAAAAAAAAACCT_lib2                   2  \n",
       "AAAAAAAAAAATGCAA_lib2                   1  \n",
       "AAAAAAAAAAATTCGC_lib1                   1  \n",
       "AAAAAAAAAACACCTA_lib2                   0  \n",
       "AAAAAAAAAACCTAAC_lib1                   1  \n",
       "...                                   ...  \n",
       "TTTTTCAAAACACACA_lib2                   1  \n",
       "TTTTTCGAAACTTATT_lib2                   0  \n",
       "TTTTTGATATGACAGG_lib2                   2  \n",
       "TTTTTTAAACGGAATA_lib2                   0  \n",
       "TTTTTTAATAATTGCT_lib2                   1  \n",
       "\n",
       "[205734 rows x 7 columns]"
      ]
     },
     "execution_count": 31,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "#merge fit Kds with barcodes and barcodes info\n",
    "delta_merge = pd.concat([delta_good_fit_params,delta_to_merge],join='outer',axis=1)\n",
    "delta_merge"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 32,
   "id": "6253e8fd-320f-4f49-9962-ba563cedb699",
   "metadata": {},
   "outputs": [
    {
     "data": {
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       "\n",
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       "\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>target</th>\n",
       "      <th>variant_call_support</th>\n",
       "      <th>codon_substitutions</th>\n",
       "      <th>aa_substitutions</th>\n",
       "      <th>n_codon_substitutions</th>\n",
       "      <th>n_aa_substitutions</th>\n",
       "      <th>(TiteSeq_04_bin4, A)</th>\n",
       "      <th>(TiteSeq_04_bin1, A)</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>TTAAATCTACTAAAAG_lib1</th>\n",
       "      <td>Delta</td>\n",
       "      <td>80</td>\n",
       "      <td>CAG176CCA</td>\n",
       "      <td>Q176P</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>0.0</td>\n",
       "      <td>4927.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AAAAGCTCCCACCCGA_lib1</th>\n",
       "      <td>Delta</td>\n",
       "      <td>31</td>\n",
       "      <td>GGT9GAT CAG176CCA</td>\n",
       "      <td>G9D Q176P</td>\n",
       "      <td>2</td>\n",
       "      <td>2</td>\n",
       "      <td>0.0</td>\n",
       "      <td>2834.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>AATGACATGGAGCTTA_lib1</th>\n",
       "      <td>Delta</td>\n",
       "      <td>92</td>\n",
       "      <td>TTC70GAT AAC171AGA</td>\n",
       "      <td>F70D N171R</td>\n",
       "      <td>2</td>\n",
       "      <td>2</td>\n",
       "      <td>0.0</td>\n",
       "      <td>3116.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TCACAATATCGCGTGT_lib1</th>\n",
       "      <td>Delta</td>\n",
       "      <td>59</td>\n",
       "      <td>GGC86TTT CTG95CTT GCA192TTG</td>\n",
       "      <td>G86F A192L</td>\n",
       "      <td>3</td>\n",
       "      <td>2</td>\n",
       "      <td>5.0</td>\n",
       "      <td>2320.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ATCCAAACAAATTGCA_lib1</th>\n",
       "      <td>Delta</td>\n",
       "      <td>65</td>\n",
       "      <td>GGA172TCT</td>\n",
       "      <td>G172S</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>0.0</td>\n",
       "      <td>3196.0</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",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTGGAGTTTCGG_lib2</th>\n",
       "      <td>Delta</td>\n",
       "      <td>8</td>\n",
       "      <td>GTA37ATG</td>\n",
       "      <td>V37M</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTGGGATCATTT_lib2</th>\n",
       "      <td>Delta</td>\n",
       "      <td>12</td>\n",
       "      <td>TTA162TGT</td>\n",
       "      <td>L162C</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTGTATATGCCA_lib2</th>\n",
       "      <td>Delta</td>\n",
       "      <td>12</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTTACCGCCTTT_lib2</th>\n",
       "      <td>Delta</td>\n",
       "      <td>5</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTTCTGTGAAGT_lib2</th>\n",
       "      <td>Delta</td>\n",
       "      <td>4</td>\n",
       "      <td>GTA153TTG</td>\n",
       "      <td>V153L</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>205734 rows × 8 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "                      target  variant_call_support  \\\n",
       "TTAAATCTACTAAAAG_lib1  Delta                    80   \n",
       "AAAAGCTCCCACCCGA_lib1  Delta                    31   \n",
       "AATGACATGGAGCTTA_lib1  Delta                    92   \n",
       "TCACAATATCGCGTGT_lib1  Delta                    59   \n",
       "ATCCAAACAAATTGCA_lib1  Delta                    65   \n",
       "...                      ...                   ...   \n",
       "TTTTTTGGAGTTTCGG_lib2  Delta                     8   \n",
       "TTTTTTGGGATCATTT_lib2  Delta                    12   \n",
       "TTTTTTGTATATGCCA_lib2  Delta                    12   \n",
       "TTTTTTTACCGCCTTT_lib2  Delta                     5   \n",
       "TTTTTTTCTGTGAAGT_lib2  Delta                     4   \n",
       "\n",
       "                               codon_substitutions aa_substitutions  \\\n",
       "TTAAATCTACTAAAAG_lib1                    CAG176CCA            Q176P   \n",
       "AAAAGCTCCCACCCGA_lib1            GGT9GAT CAG176CCA        G9D Q176P   \n",
       "AATGACATGGAGCTTA_lib1           TTC70GAT AAC171AGA       F70D N171R   \n",
       "TCACAATATCGCGTGT_lib1  GGC86TTT CTG95CTT GCA192TTG       G86F A192L   \n",
       "ATCCAAACAAATTGCA_lib1                    GGA172TCT            G172S   \n",
       "...                                            ...              ...   \n",
       "TTTTTTGGAGTTTCGG_lib2                     GTA37ATG             V37M   \n",
       "TTTTTTGGGATCATTT_lib2                    TTA162TGT            L162C   \n",
       "TTTTTTGTATATGCCA_lib2                          NaN              NaN   \n",
       "TTTTTTTACCGCCTTT_lib2                          NaN              NaN   \n",
       "TTTTTTTCTGTGAAGT_lib2                    GTA153TTG            V153L   \n",
       "\n",
       "                       n_codon_substitutions  n_aa_substitutions  \\\n",
       "TTAAATCTACTAAAAG_lib1                      1                   1   \n",
       "AAAAGCTCCCACCCGA_lib1                      2                   2   \n",
       "AATGACATGGAGCTTA_lib1                      2                   2   \n",
       "TCACAATATCGCGTGT_lib1                      3                   2   \n",
       "ATCCAAACAAATTGCA_lib1                      1                   1   \n",
       "...                                      ...                 ...   \n",
       "TTTTTTGGAGTTTCGG_lib2                      1                   1   \n",
       "TTTTTTGGGATCATTT_lib2                      1                   1   \n",
       "TTTTTTGTATATGCCA_lib2                      0                   0   \n",
       "TTTTTTTACCGCCTTT_lib2                      0                   0   \n",
       "TTTTTTTCTGTGAAGT_lib2                      1                   1   \n",
       "\n",
       "                       (TiteSeq_04_bin4, A)  (TiteSeq_04_bin1, A)  \n",
       "TTAAATCTACTAAAAG_lib1                   0.0                4927.0  \n",
       "AAAAGCTCCCACCCGA_lib1                   0.0                2834.0  \n",
       "AATGACATGGAGCTTA_lib1                   0.0                3116.0  \n",
       "TCACAATATCGCGTGT_lib1                   5.0                2320.0  \n",
       "ATCCAAACAAATTGCA_lib1                   0.0                3196.0  \n",
       "...                                     ...                   ...  \n",
       "TTTTTTGGAGTTTCGG_lib2                   NaN                   NaN  \n",
       "TTTTTTGGGATCATTT_lib2                   NaN                   NaN  \n",
       "TTTTTTGTATATGCCA_lib2                   NaN                   NaN  \n",
       "TTTTTTTACCGCCTTT_lib2                   NaN                   NaN  \n",
       "TTTTTTTCTGTGAAGT_lib2                   NaN                   NaN  \n",
       "\n",
       "[205734 rows x 8 columns]"
      ]
     },
     "execution_count": 32,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "#merge delta binary data with barcode info\n",
    "delta_binary_merge = pd.concat([delta_to_merge,df1],join='outer',axis=1)\n",
    "delta_binary_merge"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "29694919-f628-4663-9d13-22dc7d3c5b62",
   "metadata": {},
   "source": [
    "# merge delta variants with all other variants and export for downstream analysis\""
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 33,
   "id": "ac92a341-f980-468f-bb78-f2ce9c89c9df",
   "metadata": {},
   "outputs": [],
   "source": [
    "all_binary_data = pd.concat([delta_binary_merge,merged_binary])\n",
    "all_binary_data.to_csv('merged_binary_bloom2022.csv')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 34,
   "id": "859c3e53-2ad0-47b5-91cb-368b8f25250b",
   "metadata": {},
   "outputs": [],
   "source": [
    "#add delta data to other data\n",
    "all_data = pd.concat([merged,delta_merge])"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 35,
   "id": "423ba0bc-60de-441d-8a37-43d28a9f5fc6",
   "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>Unnamed: 0</th>\n",
       "      <th>target</th>\n",
       "      <th>variant_call_support</th>\n",
       "      <th>codon_substitutions</th>\n",
       "      <th>aa_substitutions</th>\n",
       "      <th>n_codon_substitutions</th>\n",
       "      <th>n_aa_substitutions</th>\n",
       "      <th>A</th>\n",
       "      <th>B</th>\n",
       "      <th>Kd</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>AAAAAAAAAATTAAGG_pool1</td>\n",
       "      <td>B1351</td>\n",
       "      <td>3.0</td>\n",
       "      <td>AGA73CAT GGA172TCT GCA192ACA</td>\n",
       "      <td>R73H G172S A192T</td>\n",
       "      <td>3.0</td>\n",
       "      <td>3.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>AAAAAAAAAGTATTAA_pool1</td>\n",
       "      <td>B1351</td>\n",
       "      <td>1.0</td>\n",
       "      <td>GTG103AAA</td>\n",
       "      <td>V103K</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>AAAAAAAAATACAATA_pool1</td>\n",
       "      <td>B1351</td>\n",
       "      <td>4.0</td>\n",
       "      <td>CCT169GGT</td>\n",
       "      <td>P169G</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.072727e-08</td>\n",
       "      <td>1.055348e-08</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>AAAAAAAAATGTTAAT_pool1</td>\n",
       "      <td>B1351</td>\n",
       "      <td>2.0</td>\n",
       "      <td>GAT75CAA</td>\n",
       "      <td>D75Q</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>2.812531e-09</td>\n",
       "      <td>1.183789e-09</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>AAAAAAAAATTACTAA_pool1</td>\n",
       "      <td>B1351</td>\n",
       "      <td>2.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>NaN</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",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTCAAAACACACA_lib2</th>\n",
       "      <td>NaN</td>\n",
       "      <td>Delta</td>\n",
       "      <td>1.0</td>\n",
       "      <td>GTC173ATG</td>\n",
       "      <td>V173M</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTCGAAACTTATT_lib2</th>\n",
       "      <td>NaN</td>\n",
       "      <td>Delta</td>\n",
       "      <td>1.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTGATATGACAGG_lib2</th>\n",
       "      <td>NaN</td>\n",
       "      <td>Delta</td>\n",
       "      <td>1.0</td>\n",
       "      <td>TTC8GTT TTT62CAT</td>\n",
       "      <td>F8V F62H</td>\n",
       "      <td>2.0</td>\n",
       "      <td>2.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTAAACGGAATA_lib2</th>\n",
       "      <td>NaN</td>\n",
       "      <td>Delta</td>\n",
       "      <td>1.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TTTTTTAATAATTGCT_lib2</th>\n",
       "      <td>NaN</td>\n",
       "      <td>Delta</td>\n",
       "      <td>2.0</td>\n",
       "      <td>GCA89GGT</td>\n",
       "      <td>A89G</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>541038 rows × 10 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "                                   Unnamed: 0 target  variant_call_support  \\\n",
       "0                      AAAAAAAAAATTAAGG_pool1  B1351                   3.0   \n",
       "1                      AAAAAAAAAGTATTAA_pool1  B1351                   1.0   \n",
       "2                      AAAAAAAAATACAATA_pool1  B1351                   4.0   \n",
       "3                      AAAAAAAAATGTTAAT_pool1  B1351                   2.0   \n",
       "4                      AAAAAAAAATTACTAA_pool1  B1351                   2.0   \n",
       "...                                       ...    ...                   ...   \n",
       "TTTTTCAAAACACACA_lib2                     NaN  Delta                   1.0   \n",
       "TTTTTCGAAACTTATT_lib2                     NaN  Delta                   1.0   \n",
       "TTTTTGATATGACAGG_lib2                     NaN  Delta                   1.0   \n",
       "TTTTTTAAACGGAATA_lib2                     NaN  Delta                   1.0   \n",
       "TTTTTTAATAATTGCT_lib2                     NaN  Delta                   2.0   \n",
       "\n",
       "                                codon_substitutions  aa_substitutions  \\\n",
       "0                      AGA73CAT GGA172TCT GCA192ACA  R73H G172S A192T   \n",
       "1                                         GTG103AAA             V103K   \n",
       "2                                         CCT169GGT             P169G   \n",
       "3                                          GAT75CAA              D75Q   \n",
       "4                                               NaN               NaN   \n",
       "...                                             ...               ...   \n",
       "TTTTTCAAAACACACA_lib2                     GTC173ATG             V173M   \n",
       "TTTTTCGAAACTTATT_lib2                           NaN               NaN   \n",
       "TTTTTGATATGACAGG_lib2              TTC8GTT TTT62CAT          F8V F62H   \n",
       "TTTTTTAAACGGAATA_lib2                           NaN               NaN   \n",
       "TTTTTTAATAATTGCT_lib2                      GCA89GGT              A89G   \n",
       "\n",
       "                       n_codon_substitutions  n_aa_substitutions  \\\n",
       "0                                        3.0                 3.0   \n",
       "1                                        1.0                 1.0   \n",
       "2                                        1.0                 1.0   \n",
       "3                                        1.0                 1.0   \n",
       "4                                        0.0                 0.0   \n",
       "...                                      ...                 ...   \n",
       "TTTTTCAAAACACACA_lib2                    1.0                 1.0   \n",
       "TTTTTCGAAACTTATT_lib2                    0.0                 0.0   \n",
       "TTTTTGATATGACAGG_lib2                    2.0                 2.0   \n",
       "TTTTTTAAACGGAATA_lib2                    0.0                 0.0   \n",
       "TTTTTTAATAATTGCT_lib2                    1.0                 1.0   \n",
       "\n",
       "                                  A             B   Kd  \n",
       "0                               NaN           NaN  NaN  \n",
       "1                               NaN           NaN  NaN  \n",
       "2                      1.072727e-08  1.055348e-08  NaN  \n",
       "3                      2.812531e-09  1.183789e-09  NaN  \n",
       "4                               NaN           NaN  NaN  \n",
       "...                             ...           ...  ...  \n",
       "TTTTTCAAAACACACA_lib2           NaN           NaN  NaN  \n",
       "TTTTTCGAAACTTATT_lib2           NaN           NaN  NaN  \n",
       "TTTTTGATATGACAGG_lib2           NaN           NaN  NaN  \n",
       "TTTTTTAAACGGAATA_lib2           NaN           NaN  NaN  \n",
       "TTTTTTAATAATTGCT_lib2           NaN           NaN  NaN  \n",
       "\n",
       "[541038 rows x 10 columns]"
      ]
     },
     "execution_count": 35,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "all_data"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 36,
   "id": "43eca059-bca0-44db-8698-4969d0e55d3a",
   "metadata": {},
   "outputs": [],
   "source": [
    "#output data for downstream analysis\n",
    "all_data.to_csv('fit_params_bloom2022.csv')"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "19eded57-d59a-4f7b-9b89-4f12c980bf3e",
   "metadata": {},
   "source": [
    "# output a file that has raw sequences and fit Kd's"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 38,
   "id": "a49367e6-878f-4013-9906-59aa9b9e72a0",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "[' NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIHGDEVRQIAPGQTGNIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVKGFNCYFPLQSYGFQPTYSVGYQPYRVVVLSFELLHAPTTVCGPKKST',\n",
       " ' NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGNIADYNYKLPDDFTGCKIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVKGFNCYFPLQSYGFQPTYGVGYQPYRVVVLSFELLHAPATVCGPKKST',\n",
       " ' NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGNIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVKGFNCYFPLQSYGFQGTYGVGYQPYRVVVLSFELLHAPATVCGPKKST',\n",
       " ' NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGQEVRQIAPGQTGNIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVKGFNCYFPLQSYGFQPTYGVGYQPYRVVVLSFELLHAPATVCGPKKST',\n",
       " '']"
      ]
     },
     "execution_count": 38,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "#get sequences for all mutants\n",
    "new_sequences = []\n",
    "for target,aa_substitutions in zip(all_data['target'],all_data['aa_substitutions']):\n",
    "    new_sequences.append(mutate_sequence(target,aa_substitutions))\n",
    "new_sequences[:5]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "815da066-eec3-4f27-874e-47bd95a1a55d",
   "metadata": {},
   "outputs": [],
   "source": [
    "#drop rows where there's no sequence (probably because a barcode wasn't found from the previous data processing step)\n",
    "all_data['sequence']=new_sequences\n",
    "all_data= all_data.loc[all_data['sequence'].str.len() > 0]\n",
    "all_data = all_data.drop(columns=['Unnamed: 0','target','variant_call_support','codon_substitutions','aa_substitutions','n_codon_substitutions','n_aa_substitutions'])\n",
    "all_data"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 44,
   "id": "6a693e67-ca30-43e3-8d2d-07bae97009af",
   "metadata": {},
   "outputs": [],
   "source": [
    "all_data = all_data.set_index('sequence')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 45,
   "id": "4558a8ee-67f3-4e9b-b925-9275eecc5b58",
   "metadata": {},
   "outputs": [
    {
     "data": {
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       "\n",
       "    .dataframe tbody tr th {\n",
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       "\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>A</th>\n",
       "      <th>B</th>\n",
       "      <th>Kd</th>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>sequence</th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIHGDEVRQIAPGQTGNIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVKGFNCYFPLQSYGFQPTYSVGYQPYRVVVLSFELLHAPTTVCGPKKST</th>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGNIADYNYKLPDDFTGCKIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVKGFNCYFPLQSYGFQPTYGVGYQPYRVVVLSFELLHAPATVCGPKKST</th>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGNIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVKGFNCYFPLQSYGFQGTYGVGYQPYRVVVLSFELLHAPATVCGPKKST</th>\n",
       "      <td>1.072727e-08</td>\n",
       "      <td>1.055348e-08</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGQEVRQIAPGQTGNIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVKGFNCYFPLQSYGFQPTYGVGYQPYRVVVLSFELLHAPATVCGPKKST</th>\n",
       "      <td>2.812531e-09</td>\n",
       "      <td>1.183789e-09</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQMAPGQTGNIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVKGFNCYFPLQSYGFQPTYGVGYQPYRVVVLSFELLHAPATVCGPKKST</th>\n",
       "      <td>8.101692e-09</td>\n",
       "      <td>2.121484e-09</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYRYRLFRKSNLTPFERDISTEIYQAGSKPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKST</th>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYRYRLFRKSNLKPFERDISTEIYQAGSKPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGGKKST</th>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYRYRLFRKSNLKPFERDISTEIYQAGSKPCNGVEGFNCYFPLQSYGFQPTNGMGYQPYRVVVLSFELLHAPATVCGPKKST</th>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NITNLCPVGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCHTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYRYRLFRKSNLKPFERDISTEIYQAGSKPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKST</th>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIGDYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYRYRLFRKSNLKPFERDISTEIYQAGSKPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKST</th>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>405681 rows × 3 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "                                                               A  \\\n",
       "sequence                                                           \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...           NaN   \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...           NaN   \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...  1.072727e-08   \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...  2.812531e-09   \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...  8.101692e-09   \n",
       "...                                                          ...   \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...           NaN   \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...           NaN   \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...           NaN   \n",
       " NITNLCPVGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...           NaN   \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...           NaN   \n",
       "\n",
       "                                                               B   Kd  \n",
       "sequence                                                               \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...           NaN  NaN  \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...           NaN  NaN  \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...  1.055348e-08  NaN  \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...  1.183789e-09  NaN  \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...  2.121484e-09  NaN  \n",
       "...                                                          ...  ...  \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...           NaN  NaN  \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...           NaN  NaN  \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...           NaN  NaN  \n",
       " NITNLCPVGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...           NaN  NaN  \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...           NaN  NaN  \n",
       "\n",
       "[405681 rows x 3 columns]"
      ]
     },
     "execution_count": 45,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "all_data"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 47,
   "id": "9b3890bf-7f42-4805-8a73-0e7e4ccdf283",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\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>Kds</th>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>sequence</th>\n",
       "      <th></th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIHGDEVRQIAPGQTGNIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVKGFNCYFPLQSYGFQPTYSVGYQPYRVVVLSFELLHAPTTVCGPKKST</th>\n",
       "      <td>[nan, nan, nan]</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGNIADYNYKLPDDFTGCKIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVKGFNCYFPLQSYGFQPTYGVGYQPYRVVVLSFELLHAPATVCGPKKST</th>\n",
       "      <td>[nan, nan, nan, nan, nan, nan, nan, 3.29270813...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGNIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVKGFNCYFPLQSYGFQGTYGVGYQPYRVVVLSFELLHAPATVCGPKKST</th>\n",
       "      <td>[1.072726884839601e-08, 1.0553483846502093e-08...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGQEVRQIAPGQTGNIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVKGFNCYFPLQSYGFQPTYGVGYQPYRVVVLSFELLHAPATVCGPKKST</th>\n",
       "      <td>[2.8125311010685614e-09, 1.18378918408883e-09,...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQMAPGQTGNIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVKGFNCYFPLQSYGFQPTYGVGYQPYRVVVLSFELLHAPATVCGPKKST</th>\n",
       "      <td>[8.101692111850255e-09, 2.1214838792587013e-09...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYAD*FVIRADEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYRYRLFRKSNLKPFERDISTEIYQAGSKPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKST</th>\n",
       "      <td>[nan, nan, nan]</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NITNPCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNGRYRLFRKSNLKPFERDISTEIYQAGSKPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKST</th>\n",
       "      <td>[nan, nan, nan]</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NYTNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYRYRLFRKSNLKPFERDISTEITQAGSKPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKST</th>\n",
       "      <td>[nan, nan, nan]</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVLADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYRYRYRLFRKSNLKPFERDISTEIYQAGSKPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKST</th>\n",
       "      <td>[nan, nan, nan]</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NITNLCPVGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCHTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYRYRLFRKSNLKPFERDISTEIYQAGSKPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKST</th>\n",
       "      <td>[nan, nan, nan]</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>87558 rows × 1 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "                                                                                                  Kds\n",
       "sequence                                                                                             \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...                                    [nan, nan, nan]\n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...  [nan, nan, nan, nan, nan, nan, nan, 3.29270813...\n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...  [1.072726884839601e-08, 1.0553483846502093e-08...\n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...  [2.8125311010685614e-09, 1.18378918408883e-09,...\n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...  [8.101692111850255e-09, 2.1214838792587013e-09...\n",
       "...                                                                                               ...\n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...                                    [nan, nan, nan]\n",
       " NITNPCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...                                    [nan, nan, nan]\n",
       " NYTNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...                                    [nan, nan, nan]\n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...                                    [nan, nan, nan]\n",
       " NITNLCPVGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...                                    [nan, nan, nan]\n",
       "\n",
       "[87558 rows x 1 columns]"
      ]
     },
     "execution_count": 47,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "#group barcodes together for stat calculations more generally\n",
    "df1 = pd.DataFrame(index=all_data.index.unique(),columns=all_data.columns)\n",
    "all_data['Kds'] = all_data[['A','B','Kd']].values.tolist()\n",
    "df1['Kds'] = all_data.groupby('sequence')['Kds'].apply(lambda x: list([item for sublist in x for item in sublist]))\n",
    "df1 = df1.drop(columns=df1.columns[:-1])\n",
    "df1"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 51,
   "id": "e3be9b50-60da-4a2b-a8ed-a37aa22ab7ff",
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "/tmp/ipykernel_2578642/3665757402.py:3: RuntimeWarning: Mean of empty slice\n",
      "  df1['mean'] = df1['Kds'].apply(lambda x: np.nanmean(x))\n",
      "/home/marcase/.local/lib/python3.9/site-packages/numpy/core/_methods.py:265: RuntimeWarning: Degrees of freedom <= 0 for slice\n",
      "  ret = _var(a, axis=axis, dtype=dtype, out=out, ddof=ddof,\n"
     ]
    }
   ],
   "source": [
    "#calculate stats\n",
    "df1['Kds'] = df1['Kds'].apply(lambda x: [i for i in x if not np.isnan(i)])\n",
    "df1['mean'] = df1['Kds'].apply(lambda x: np.nanmean(x))\n",
    "df1['count'] = df1['Kds'].apply(lambda x: len(x))\n",
    "df1['std'] = df1['Kds'].apply(np.std)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 55,
   "id": "eb5bd5af-d2eb-4ad4-ba11-1fc1a7e6b6ba",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
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       "\n",
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       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Kds</th>\n",
       "      <th>mean</th>\n",
       "      <th>count</th>\n",
       "      <th>std</th>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>sequence</th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGNIADYNYKLPDDFTGCKIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVKGFNCYFPLQSYGFQPTYGVGYQPYRVVVLSFELLHAPATVCGPKKST</th>\n",
       "      <td>[3.2927081345449904e-08, 7.862162152770024e-07...</td>\n",
       "      <td>1.601152e-07</td>\n",
       "      <td>15</td>\n",
       "      <td>3.784540e-07</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGNIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVKGFNCYFPLQSYGFQGTYGVGYQPYRVVVLSFELLHAPATVCGPKKST</th>\n",
       "      <td>[1.072726884839601e-08, 1.0553483846502093e-08...</td>\n",
       "      <td>2.670977e-08</td>\n",
       "      <td>33</td>\n",
       "      <td>4.654992e-08</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGQEVRQIAPGQTGNIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVKGFNCYFPLQSYGFQPTYGVGYQPYRVVVLSFELLHAPATVCGPKKST</th>\n",
       "      <td>[2.8125311010685614e-09, 1.18378918408883e-09,...</td>\n",
       "      <td>2.638456e-09</td>\n",
       "      <td>25</td>\n",
       "      <td>2.190593e-09</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQMAPGQTGNIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVKGFNCYFPLQSYGFQPTYGVGYQPYRVVVLSFELLHAPATVCGPKKST</th>\n",
       "      <td>[8.101692111850255e-09, 2.1214838792587013e-09...</td>\n",
       "      <td>1.361575e-08</td>\n",
       "      <td>41</td>\n",
       "      <td>2.676073e-08</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NITNLCPFGEVFNATRFASVYAENRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGNIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVKGFNCYFPLQSYGFQPTYGVGYQPYRVVVLSFELLHAPATVCGPKKST</th>\n",
       "      <td>[8.285952069807347e-06, 5.510779964128036e-06,...</td>\n",
       "      <td>1.976634e-06</td>\n",
       "      <td>11</td>\n",
       "      <td>3.233718e-06</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NITNLCPFGEVFNATRFASVYAWNRKRNSNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYTDSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYRYRLFRKSNLKPFERDISTEIYQAGSKPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKST</th>\n",
       "      <td>[5.396585178005522e-08]</td>\n",
       "      <td>5.396585e-08</td>\n",
       "      <td>1</td>\n",
       "      <td>0.000000e+00</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NITNLCPFGEVFNATRFASVYAWNRIRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQPGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYRYRLFRKSNLKPFERDISTEIYQAGSKPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKST</th>\n",
       "      <td>[8.593898456303798e-09]</td>\n",
       "      <td>8.593898e-09</td>\n",
       "      <td>1</td>\n",
       "      <td>0.000000e+00</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NITLLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYRYRLFRKSQLKPFERDISTEIYQAGSKPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKST</th>\n",
       "      <td>[6.039575630247964e-10]</td>\n",
       "      <td>6.039576e-10</td>\n",
       "      <td>1</td>\n",
       "      <td>0.000000e+00</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVEPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGCNYNYRYRLFRKSNLKPFERDISTEIYQAGSKPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKST</th>\n",
       "      <td>[3.049046420818843e-08]</td>\n",
       "      <td>3.049046e-08</td>\n",
       "      <td>1</td>\n",
       "      <td>0.000000e+00</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSWTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYRYRLFRKSNLKPFERDISTEIYQAGSKPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHKPATVCGPKKST</th>\n",
       "      <td>[1.349975727164546e-09]</td>\n",
       "      <td>1.349976e-09</td>\n",
       "      <td>1</td>\n",
       "      <td>0.000000e+00</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>68682 rows × 4 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "                                                                                                  Kds  \\\n",
       "sequence                                                                                                \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...  [3.2927081345449904e-08, 7.862162152770024e-07...   \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...  [1.072726884839601e-08, 1.0553483846502093e-08...   \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...  [2.8125311010685614e-09, 1.18378918408883e-09,...   \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...  [8.101692111850255e-09, 2.1214838792587013e-09...   \n",
       " NITNLCPFGEVFNATRFASVYAENRKRISNCVADYSVLYNSASFST...  [8.285952069807347e-06, 5.510779964128036e-06,...   \n",
       "...                                                                                               ...   \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRNSNCVADYSVLYNSASFST...                            [5.396585178005522e-08]   \n",
       " NITNLCPFGEVFNATRFASVYAWNRIRISNCVADYSVLYNSASFST...                            [8.593898456303798e-09]   \n",
       " NITLLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...                            [6.039575630247964e-10]   \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...                            [3.049046420818843e-08]   \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...                            [1.349975727164546e-09]   \n",
       "\n",
       "                                                            mean  count  \\\n",
       "sequence                                                                  \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...  1.601152e-07     15   \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...  2.670977e-08     33   \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...  2.638456e-09     25   \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...  1.361575e-08     41   \n",
       " NITNLCPFGEVFNATRFASVYAENRKRISNCVADYSVLYNSASFST...  1.976634e-06     11   \n",
       "...                                                          ...    ...   \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRNSNCVADYSVLYNSASFST...  5.396585e-08      1   \n",
       " NITNLCPFGEVFNATRFASVYAWNRIRISNCVADYSVLYNSASFST...  8.593898e-09      1   \n",
       " NITLLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...  6.039576e-10      1   \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...  3.049046e-08      1   \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...  1.349976e-09      1   \n",
       "\n",
       "                                                             std  \n",
       "sequence                                                          \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...  3.784540e-07  \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...  4.654992e-08  \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...  2.190593e-09  \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...  2.676073e-08  \n",
       " NITNLCPFGEVFNATRFASVYAENRKRISNCVADYSVLYNSASFST...  3.233718e-06  \n",
       "...                                                          ...  \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRNSNCVADYSVLYNSASFST...  0.000000e+00  \n",
       " NITNLCPFGEVFNATRFASVYAWNRIRISNCVADYSVLYNSASFST...  0.000000e+00  \n",
       " NITLLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...  0.000000e+00  \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...  0.000000e+00  \n",
       " NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFST...  0.000000e+00  \n",
       "\n",
       "[68682 rows x 4 columns]"
      ]
     },
     "execution_count": 55,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df1 = df1.dropna(subset=['mean'])\n",
    "df1"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 56,
   "id": "10e00335-1de4-4d08-bc1c-b723e14b7672",
   "metadata": {},
   "outputs": [],
   "source": [
    "df1.to_csv('continuous_bloom2022.csv')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "de7e26d7-a7ce-47cf-b9cc-cf34d349e97c",
   "metadata": {},
   "outputs": [],
   "source": []
  }
 ],
 "metadata": {
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   "language": "python",
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   "codemirror_mode": {
    "name": "ipython",
    "version": 3
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   "file_extension": ".py",
   "mimetype": "text/x-python",
   "name": "python",
   "nbconvert_exporter": "python",
   "pygments_lexer": "ipython3",
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