diff --git a/Additional_analyses/Analyse_cutoff_thresholds/README.md b/Additional_analyses/Analyse_cutoff_thresholds/README.md new file mode 100644 index 0000000..b137450 --- /dev/null +++ b/Additional_analyses/Analyse_cutoff_thresholds/README.md @@ -0,0 +1,28 @@ +# Analyze cutoff thresholds + +## Purpose +This script evaluates the effect of choosing different cutoff thresholds in the TP predictions. +The evaluated parameters are `generation` and `max TPs`. + +## Input +The script uses 5 input files, one for each tested TP prediction model. +1. Output from `find_best_TPs.py` +2. Output from EAWAG-PPS batch prediction: `resuts_EAWAG-PPS.tsv` +3. List of experimentally confirmed TPs (SMILES): `confirmed_TPs.txt` + +## Output +The script outputs the number of true positive predictions for a range of thresholds, for each parameter searately: +* `Cutoff_thresholds_Generation threshold.txt` +* `Cutoff_thresholds_Maximum TP threshold.txt` + +The results are plotted as PDF: +* `Plot_cutoff_analysis.pdf`. + + +## Run script in Spyder +1. open the script: `compare_methods_pps.py` +2. change the pathway of the input files according to the filepath on your harddrive +3. click somewhere in the left window and press F5 or click "Run File", if Run settings windows appears, click run +4. wait for the script to finish running (you can see the progress in the bottom right window, "Script finished successfully" marks end of script) + +Author: Jasmin Hafner, 2022 diff --git a/Additional_analyses/Analyse_cutoff_thresholds/analyse_cutoff_thresholds.py b/Additional_analyses/Analyse_cutoff_thresholds/analyse_cutoff_thresholds.py index a9c0842..ed9418f 100644 --- a/Additional_analyses/Analyse_cutoff_thresholds/analyse_cutoff_thresholds.py +++ b/Additional_analyses/Analyse_cutoff_thresholds/analyse_cutoff_thresholds.py @@ -1,263 +1,196 @@ # Script by Jasmin Hafner, Eawag, October 2022 -# Analyze TP prediction output to find maxTP / combined probability threshold that gives best precision +# Analyze TP prediction output to find maxTP / generation threshold that gives best precision # Input: 1) Output from find_best_TPs.py # 2) List of experimentally confirmed TPs (SMILES) from rdkit import Chem from rdkit.Chem.MolStandardize import rdMolStandardize import pandas as pd import seaborn as sns import matplotlib.pyplot as plt import numpy as np # input -input_folder = 'input/Sludge_TPs/' -output_folder = 'output/Sludge_TPs/' +input_folder = 'input/' +output_folder = 'output/' filename_list = ['TP_prediction_BBD_top_50.tsv', 'TP_prediction_BBD+SOIL_top_50.tsv', 'TP_prediction_BBD+SLUDGE_top_50.tsv', 'TP_prediction_BBD+SOIL+SLUDGE_top_50.tsv'] filename_PPS = 'results_EAWAG-PPS.tsv' experimentally_confirmed = 'confirmed_TPs.txt' color_palette = ['#B9252E', '#056586', '#8EC1B8', '#423E2D', '#C7AF5E'] # pps: #db4344, bbd: '#0054b6', 'bbd+soil': 'bbd+sludge':, 'bbd+soil+sludge: # https://davidmathlogic.com/colorblind/#%23B9252E-%23056586-%238EC1B8-%23423E2D-%23C7AF5E def __main__(): confirmed_TPs = file_to_list(input_folder+experimentally_confirmed) TP_df = collect_data(confirmed_TPs) plot_data(TP_df) def file_to_list(input_dir): open_file = open(input_dir) TP_list = [] for line in open_file: TP_list.append(line.rstrip()) return TP_list def canonicalize_smiles(smiles): mol = Chem.MolFromSmiles(smiles) # creates mol object from SMILES uncharger = rdMolStandardize.Uncharger() # easier to access mol = uncharger.uncharge(mol) # protonates or deprotonates the mol object new_smiles = Chem.rdmolfiles.MolToSmiles(mol) # converts mol object to canonical SMILES can_smiles = Chem.CanonSmiles(new_smiles) return can_smiles def get_dictionary(TP_data, filename, confirmed_TPs): TP_file = open(input_folder + filename) for line in TP_file: if '/// Pathway name: ' in line: rank = 0 continue elif 'SMILES' in line: continue # get data split = line.rstrip().split('\t') smiles = split[0] name = split[1] combined_probability = float(split[2]) generation = int(split[4]) probability = float(split[5]) data_origin = filename.split('_')[2] rank+=1 if not 'TP' in name: continue # check if TP has been experimentally confirmed can_smiles = canonicalize_smiles(smiles) confirmed = False if can_smiles in confirmed_TPs: confirmed = True - # generate dict + # generate dictionary compound_data = {'smiles': can_smiles, 'name': name, 'combined_p': combined_probability, 'p': probability, 'generation': generation, 'confirmed': confirmed, 'data_origin': data_origin, 'rank': rank} - # if TP_dict.get(can_smiles) and confirmed: - # print('TP already present, check it out:', compound_data) - # else: + TP_data.append(compound_data) return TP_data def get_stats(df, x, column_name, origin): this_df = df.loc[df['data_origin'] == origin] precision = [] count = [] origin_list = [] total_count_list = [] for x_val in x: if column_name == 'generation': cutoff_data = this_df.loc[this_df[column_name]<=x_val] elif column_name in ['combined_p', 'p']: cutoff_data = this_df.loc[this_df[column_name] >= x_val] elif column_name == 'rank': cutoff_data = this_df.loc[this_df[column_name] <= x_val] if True not in cutoff_data['confirmed'].value_counts(): true_count = 0 else: true_count = cutoff_data['confirmed'].value_counts()[True] total_count = len(cutoff_data) if total_count == 0: prec = 0 else: prec = true_count/total_count*100 - - # if origin == 'EAWAG-PPS' and x_val > 3: - # prec = np.NaN - # true_count = np.NaN if origin == 'EAWAG-PPS': new_origin = origin else: new_origin = 'eP-'+origin precision.append(prec) count.append(true_count) origin_list.append(new_origin) total_count_list.append(total_count) return precision, count, origin_list, total_count_list def plot_data_generation(df): max_val = df['generation'].max() x = list(range(0, max_val)) gen_data = pd.DataFrame() data_origin_list = ['EAWAG-PPS', 'BBD', 'BBD+SOIL', 'BBD+SLUDGE', 'BBD+SOIL+SLUDGE'] for origin in data_origin_list: y_prec, y_count, origin_list, total_count = get_stats(df, x, 'generation', origin) new_gen_data = pd.DataFrame({'Generation threshold': x, 'Precision (in %)': y_prec, 'Correctly predicted TPs': y_count, 'Prediction method': origin_list, 'Predicted compounds': total_count}) all_true = df.loc[df['data_origin'] == origin]['confirmed'].value_counts()[True] all = len(df.loc[df['data_origin'] == origin]) overall_precision = all_true/all gen_data = gen_data.append(new_gen_data) print('origin: {}, precision: {}, TPs_found: {}, total_tps: {}'.format(origin,overall_precision, all_true, all)) # plot data column_name = 'Generation threshold' gen_data.to_csv('{}Cutoff_thresholds_{}.txt'.format(output_folder, column_name), sep='\t') fig, axs = plt.subplots(2, 2, figsize=(6, 6), sharey='row') sns.set_context('paper') - # pps_data = gen_data.loc[gen_data['Prediction method'] == 'EAWAG-PPS'] - # pps_data = pps_data.loc[pps_data['Generation threshold'] < 4] - # sns.lineplot(data=pps_data, x=column_name, y='Precision (in %)', - # ax=axs[0][0], color=color_palette[0], legend=False) - # sns.lineplot(data=gen_data.loc[gen_data['Prediction method'] != 'EAWAG-PPS'], x=column_name, y='Precision (in %)', - # hue='Prediction method', ax=axs[0][0], palette=color_palette[1:], legend=False) gen_data = gen_data.loc[gen_data['Generation threshold']<=3] this = sns.lineplot(data=gen_data, x=column_name, y='Precision (in %)', hue='Prediction method', ax=axs[0][0], palette=color_palette) sns.lineplot(data=gen_data, x=column_name, y='Correctly predicted TPs', hue='Prediction method', ax=axs[1][0], palette=color_palette, legend=False) sns.move_legend(this, "center left", bbox_to_anchor=(1.7, 0), ncol=1, borderaxespad=0) - # plt.tight_layout() - # plt.savefig('{}Plot_{}.pdf'.format(output_folder, column_name)) - return plt, axs - -def plot_data_combined_probability(df, plt, axs): - x = list(np.arange(0, 1, 0.001)) - gen_data = pd.DataFrame() - data_origin_list = ['BBD', 'BBD+SOIL', 'BBD+SLUDGE', 'BBD+SOIL+SLUDGE'] - for origin in data_origin_list: - y_prec, y_count, origin_list, total_count = get_stats(df, x, 'combined_p', origin) - new_gen_data = pd.DataFrame({'Combined probability threshold': x, 'Precision (in %)': y_prec, - 'Correctly predicted TPs': y_count, 'Prediction method': origin_list, - 'Predicted compounds': total_count}) - gen_data = gen_data.append(new_gen_data) - # plot data - column_name = 'Combined probability threshold' - gen_data.to_csv('{}Cutoff_thresholds_{}.txt'.format(output_folder, column_name), sep='\t') - sns.lineplot(data=gen_data, x=column_name, y='Precision (in %)', hue='Prediction method', ax=axs[0][1], - palette=color_palette[1:], legend=False) - axs[0][1].set(xscale='log') - sns.lineplot(data=gen_data, x=column_name, y='Correctly predicted TPs', hue='Prediction method', ax=axs[1][1], - palette=color_palette[1:], legend=False) - axs[1][1].set(xscale='log') - axs[0][1].invert_xaxis() - axs[1][1].invert_xaxis() - # plt.legend([], [], frameon=False) - # plt.tight_layout() - # plt.savefig('{}Plot_{}.pdf'.format(output_folder, column_name)) - # plt.close() return plt, axs -def plot_data_probability(df): - x = list(np.arange(0, 1, 0.01)) - gen_data = pd.DataFrame() - data_origin_list = ['BBD', 'BBD+SOIL', 'BBD+SLUDGE', 'BBD+SOIL+SLUDGE'] - for origin in data_origin_list: - y_prec, y_count, origin_list, total_count = get_stats(df, x, 'p', origin) - new_gen_data = pd.DataFrame({'Probability threshold': x, 'Precision (in %)': y_prec, - 'Correctly predicted TPs': y_count, 'Prediction method': origin_list, - 'Predicted compounds': total_count}) - gen_data = gen_data.append(new_gen_data) - - column_name = 'Probability threshold' - gen_data.to_csv('{}Cutoff_thresholds_{}.txt'.format(output_folder, column_name), sep='\t') - fig, axs = plt.subplots(1, 2, figsize=(10, 5)) - sns.lineplot(data=gen_data, x=column_name, y='Precision (in %)', hue='Prediction method', ax=axs[0], - palette=color_palette[1:]) - sns.lineplot(data=gen_data, x=column_name, y='Correctly predicted TPs', hue='Prediction method', ax=axs[1], - palette=color_palette[1:]) - axs[0].invert_xaxis() - axs[1].invert_xaxis() - plt.tight_layout() - plt.savefig('{}Plot_{}.pdf'.format(output_folder, column_name)) - plt.close() def plot_data_max_TPs(df, plt, axs): x = list(np.arange(0, 51, 1)) gen_data = pd.DataFrame() data_origin_list = ['BBD', 'BBD+SOIL', 'BBD+SLUDGE', 'BBD+SOIL+SLUDGE'] for origin in data_origin_list: y_prec, y_count, origin_list, total_count = get_stats(df, x, 'rank', origin) new_gen_data = pd.DataFrame({'Maximum TP threshold': x, 'Precision (in %)': y_prec, 'Correctly predicted TPs': y_count, 'Prediction method': origin_list, 'Predicted compounds': total_count}) gen_data = gen_data.append(new_gen_data) column_name = 'Maximum TP threshold' sns.lineplot(data=gen_data, x=column_name, y='Precision (in %)', hue='Prediction method', ax=axs[0][1], palette=color_palette[1:], legend=False) sns.lineplot(data=gen_data, x=column_name, y='Correctly predicted TPs', hue='Prediction method', ax=axs[1][1], palette=color_palette[1:], legend=False) gen_data.to_csv('{}Cutoff_thresholds_{}.txt'.format(output_folder, column_name), sep='\t') # plt.tight_layout() - plt.savefig('{}Plot_{}_legend_right.pdf'.format(output_folder, column_name)) + plt.savefig('{}Plot_cutoff_analysis.pdf'.format(output_folder, column_name)) plt.close() def add_PPS_data(data, confirmed_TPs): pps_file = open(input_folder + filename_PPS) pps_file.readline() # header for line in pps_file: split = line.rstrip().split('\t') can_smiles = canonicalize_smiles(split[0]) generation = int(split[1]) confirmed = False if can_smiles in confirmed_TPs: confirmed = True compound = {'smiles': can_smiles, 'name': '', 'combined_p': np.NaN, 'p': np.NaN, 'generation': generation, 'confirmed': confirmed, 'data_origin': 'EAWAG-PPS'} data.append(compound) return data - def collect_data(confirmed_TPs): TP_data = [] # {'smiles': {'name': '', 'p': '', 'combined_p': '' }} for filename in filename_list: TP_data = get_dictionary(TP_data, filename, confirmed_TPs) TP_data = add_PPS_data(TP_data, confirmed_TPs) TP_df = pd.DataFrame(TP_data) TP_df.to_csv(output_folder + 'TP_list_cutoff_analysis.txt', sep='\t') return TP_df def plot_data(TP_df): plt, axs = plot_data_generation(TP_df) - # plt, axs =plot_data_combined_probability(TP_df, plt, axs) plot_data_max_TPs(TP_df, plt, axs) - # plot_data_probability(TP_df) __main__() diff --git a/Additional_analyses/Analyse_cutoff_thresholds/output/Cutoff_thresholds_Combined probability threshold.txt b/Additional_analyses/Analyse_cutoff_thresholds/output/Cutoff_thresholds_Combined probability threshold.txt deleted file mode 100644 index bb4e294..0000000 --- a/Additional_analyses/Analyse_cutoff_thresholds/output/Cutoff_thresholds_Combined probability threshold.txt +++ /dev/null @@ -1,4001 +0,0 @@ - Combined probability threshold Precision (in %) Correctly predicted TPs Prediction method -0 0.0 2.174877940523746 49 eP-BBD -1 0.001 3.1799163179916317 38 eP-BBD -2 0.002 3.2843560933448575 38 eP-BBD -3 0.003 3.4482758620689653 38 eP-BBD -4 0.004 3.5547240411599623 38 eP-BBD -5 0.005 3.6398467432950192 38 eP-BBD -6 0.006 3.67504835589942 38 eP-BBD -7 0.007 3.7254901960784315 38 eP-BBD -8 0.008 3.7549407114624502 38 eP-BBD -9 0.009000000000000001 3.826787512588117 38 eP-BBD -10 0.01 3.861788617886179 38 eP-BBD -11 0.011 3.9361702127659575 37 eP-BBD -12 0.012 3.965702036441586 37 eP-BBD -13 0.013000000000000001 4.048140043763676 37 eP-BBD -14 0.014 4.061470911086718 37 eP-BBD -15 0.015 4.074889867841409 37 eP-BBD -16 0.016 4.147982062780269 37 eP-BBD -17 0.017 4.195011337868481 37 eP-BBD -18 0.018000000000000002 4.247990815154994 37 eP-BBD -19 0.019 4.282407407407407 37 eP-BBD -20 0.02 4.287369640787949 37 eP-BBD -21 0.021 4.51693851944793 36 eP-BBD -22 0.022 4.534005037783375 36 eP-BBD -23 0.023 4.580152671755725 36 eP-BBD -24 0.024 4.585987261146497 36 eP-BBD -25 0.025 4.675324675324675 36 eP-BBD -26 0.026000000000000002 4.712041884816754 36 eP-BBD -27 0.027 4.730617608409987 36 eP-BBD -28 0.028 4.8582995951417 36 eP-BBD -29 0.029 4.884667571234735 36 eP-BBD -30 0.03 4.884667571234735 36 eP-BBD -31 0.031 4.964539007092199 35 eP-BBD -32 0.032 4.964539007092199 35 eP-BBD -33 0.033 5.014326647564469 35 eP-BBD -34 0.034 5.0215208034433285 35 eP-BBD -35 0.035 5.043227665706052 35 eP-BBD -36 0.036000000000000004 5.147058823529411 35 eP-BBD -37 0.037 5.162241887905605 35 eP-BBD -38 0.038 5.177514792899409 35 eP-BBD -39 0.039 5.185185185185185 35 eP-BBD -40 0.04 5.185185185185185 35 eP-BBD -41 0.041 5.3627760252365935 34 eP-BBD -42 0.042 5.229793977812995 33 eP-BBD -43 0.043000000000000003 5.254777070063694 33 eP-BBD -44 0.044 5.263157894736842 33 eP-BBD -45 0.045 5.28 33 eP-BBD -46 0.046 5.383360522022838 33 eP-BBD -47 0.047 5.383360522022838 33 eP-BBD -48 0.048 5.383360522022838 33 eP-BBD -49 0.049 5.509181969949917 33 eP-BBD -50 0.05 5.546218487394958 33 eP-BBD -51 0.051000000000000004 5.88235294117647 33 eP-BBD -52 0.052000000000000005 5.88235294117647 33 eP-BBD -53 0.053 5.88235294117647 33 eP-BBD -54 0.054 5.88235294117647 33 eP-BBD -55 0.055 5.956678700361011 33 eP-BBD -56 0.056 6.0109289617486334 33 eP-BBD -57 0.057 6.0109289617486334 33 eP-BBD -58 0.058 6.021897810218978 33 eP-BBD -59 0.059000000000000004 6.021897810218978 33 eP-BBD -60 0.06 6.021897810218978 33 eP-BBD -61 0.061 5.9171597633136095 30 eP-BBD -62 0.062 5.928853754940711 30 eP-BBD -63 0.063 5.9405940594059405 30 eP-BBD -64 0.064 5.952380952380952 30 eP-BBD -65 0.065 5.9880239520958085 30 eP-BBD -66 0.066 5.9880239520958085 30 eP-BBD -67 0.067 6.0 30 eP-BBD -68 0.068 6.0 30 eP-BBD -69 0.069 6.0 30 eP-BBD -70 0.07 5.870445344129554 29 eP-BBD -71 0.07100000000000001 5.870445344129554 29 eP-BBD -72 0.07200000000000001 5.7026476578411405 28 eP-BBD -73 0.073 5.737704918032787 28 eP-BBD -74 0.074 5.749486652977413 28 eP-BBD -75 0.075 5.749486652977413 28 eP-BBD -76 0.076 5.932203389830509 28 eP-BBD -77 0.077 5.932203389830509 28 eP-BBD -78 0.078 5.932203389830509 28 eP-BBD -79 0.079 5.932203389830509 28 eP-BBD -80 0.08 5.932203389830509 28 eP-BBD -81 0.081 6.1946902654867255 28 eP-BBD -82 0.082 6.1946902654867255 28 eP-BBD -83 0.083 6.1946902654867255 28 eP-BBD -84 0.084 6.208425720620843 28 eP-BBD -85 0.085 6.222222222222222 28 eP-BBD -86 0.08600000000000001 6.222222222222222 28 eP-BBD -87 0.08700000000000001 6.222222222222222 28 eP-BBD -88 0.088 6.222222222222222 28 eP-BBD -89 0.089 6.25 28 eP-BBD -90 0.09 6.25 28 eP-BBD -91 0.091 6.682577565632458 28 eP-BBD -92 0.092 6.682577565632458 28 eP-BBD -93 0.093 6.682577565632458 28 eP-BBD -94 0.094 6.682577565632458 28 eP-BBD -95 0.095 6.682577565632458 28 eP-BBD -96 0.096 6.682577565632458 28 eP-BBD -97 0.097 6.796116504854369 28 eP-BBD -98 0.098 6.796116504854369 28 eP-BBD -99 0.099 6.796116504854369 28 eP-BBD -100 0.1 6.796116504854369 28 eP-BBD -101 0.101 6.158357771260997 21 eP-BBD -102 0.10200000000000001 6.158357771260997 21 eP-BBD -103 0.10300000000000001 6.158357771260997 21 eP-BBD -104 0.10400000000000001 6.158357771260997 21 eP-BBD -105 0.105 6.158357771260997 21 eP-BBD -106 0.106 6.158357771260997 21 eP-BBD -107 0.107 6.158357771260997 21 eP-BBD -108 0.108 6.158357771260997 21 eP-BBD -109 0.109 6.325301204819277 21 eP-BBD -110 0.11 6.325301204819277 21 eP-BBD -111 0.111 6.461538461538462 21 eP-BBD -112 0.112 6.461538461538462 21 eP-BBD -113 0.113 6.461538461538462 21 eP-BBD -114 0.114 6.461538461538462 21 eP-BBD -115 0.115 6.461538461538462 21 eP-BBD -116 0.116 6.461538461538462 21 eP-BBD -117 0.117 6.461538461538462 21 eP-BBD -118 0.11800000000000001 6.461538461538462 21 eP-BBD -119 0.11900000000000001 6.461538461538462 21 eP-BBD -120 0.12 6.461538461538462 21 eP-BBD -121 0.121 6.976744186046512 21 eP-BBD -122 0.122 7.000000000000001 21 eP-BBD -123 0.123 7.023411371237458 21 eP-BBD -124 0.124 7.023411371237458 21 eP-BBD -125 0.125 7.023411371237458 21 eP-BBD -126 0.126 7.118644067796611 21 eP-BBD -127 0.127 7.191780821917808 21 eP-BBD -128 0.128 7.191780821917808 21 eP-BBD -129 0.129 7.191780821917808 21 eP-BBD -130 0.13 7.191780821917808 21 eP-BBD -131 0.131 7.191780821917808 21 eP-BBD -132 0.132 7.191780821917808 21 eP-BBD -133 0.133 7.216494845360824 21 eP-BBD -134 0.134 7.216494845360824 21 eP-BBD -135 0.135 7.216494845360824 21 eP-BBD -136 0.136 7.26643598615917 21 eP-BBD -137 0.137 7.291666666666667 21 eP-BBD -138 0.138 7.291666666666667 21 eP-BBD -139 0.139 7.291666666666667 21 eP-BBD -140 0.14 7.142857142857142 20 eP-BBD -141 0.14100000000000001 7.142857142857142 20 eP-BBD -142 0.14200000000000002 7.142857142857142 20 eP-BBD -143 0.14300000000000002 7.142857142857142 20 eP-BBD -144 0.14400000000000002 7.168458781362006 20 eP-BBD -145 0.145 7.168458781362006 20 eP-BBD -146 0.146 7.168458781362006 20 eP-BBD -147 0.147 7.168458781362006 20 eP-BBD -148 0.148 7.168458781362006 20 eP-BBD -149 0.149 7.168458781362006 20 eP-BBD -150 0.15 7.168458781362006 20 eP-BBD -151 0.151 7.874015748031496 20 eP-BBD -152 0.152 7.905138339920949 20 eP-BBD -153 0.153 7.905138339920949 20 eP-BBD -154 0.154 7.905138339920949 20 eP-BBD -155 0.155 7.905138339920949 20 eP-BBD -156 0.156 7.905138339920949 20 eP-BBD -157 0.157 7.905138339920949 20 eP-BBD -158 0.158 7.905138339920949 20 eP-BBD -159 0.159 7.905138339920949 20 eP-BBD -160 0.16 7.905138339920949 20 eP-BBD -161 0.161 8.0 20 eP-BBD -162 0.162 8.0 20 eP-BBD -163 0.163 8.0 20 eP-BBD -164 0.164 8.0 20 eP-BBD -165 0.165 8.0 20 eP-BBD -166 0.166 8.0 20 eP-BBD -167 0.167 8.0 20 eP-BBD -168 0.168 8.032128514056225 20 eP-BBD -169 0.169 8.032128514056225 20 eP-BBD -170 0.17 8.032128514056225 20 eP-BBD -171 0.171 8.032128514056225 20 eP-BBD -172 0.17200000000000001 8.064516129032258 20 eP-BBD -173 0.17300000000000001 8.064516129032258 20 eP-BBD -174 0.17400000000000002 8.064516129032258 20 eP-BBD -175 0.17500000000000002 8.064516129032258 20 eP-BBD -176 0.176 8.064516129032258 20 eP-BBD -177 0.177 8.064516129032258 20 eP-BBD -178 0.178 8.064516129032258 20 eP-BBD -179 0.179 8.064516129032258 20 eP-BBD -180 0.18 8.064516129032258 20 eP-BBD -181 0.181 8.050847457627118 19 eP-BBD -182 0.182 8.050847457627118 19 eP-BBD -183 0.183 8.050847457627118 19 eP-BBD -184 0.184 8.050847457627118 19 eP-BBD -185 0.185 8.050847457627118 19 eP-BBD -186 0.186 8.050847457627118 19 eP-BBD -187 0.187 8.050847457627118 19 eP-BBD -188 0.188 8.050847457627118 19 eP-BBD -189 0.189 8.050847457627118 19 eP-BBD -190 0.19 8.050847457627118 19 eP-BBD -191 0.191 8.050847457627118 19 eP-BBD -192 0.192 8.050847457627118 19 eP-BBD -193 0.193 8.050847457627118 19 eP-BBD -194 0.194 8.050847457627118 19 eP-BBD -195 0.195 8.050847457627118 19 eP-BBD -196 0.196 8.050847457627118 19 eP-BBD -197 0.197 8.050847457627118 19 eP-BBD -198 0.198 8.050847457627118 19 eP-BBD -199 0.199 8.050847457627118 19 eP-BBD -200 0.2 8.050847457627118 19 eP-BBD -201 0.201 7.853403141361256 15 eP-BBD -202 0.202 7.853403141361256 15 eP-BBD -203 0.203 7.853403141361256 15 eP-BBD -204 0.20400000000000001 7.853403141361256 15 eP-BBD -205 0.20500000000000002 7.853403141361256 15 eP-BBD -206 0.20600000000000002 7.853403141361256 15 eP-BBD -207 0.20700000000000002 7.853403141361256 15 eP-BBD -208 0.20800000000000002 7.853403141361256 15 eP-BBD -209 0.209 7.853403141361256 15 eP-BBD -210 0.21 7.853403141361256 15 eP-BBD -211 0.211 7.936507936507936 15 eP-BBD -212 0.212 7.936507936507936 15 eP-BBD -213 0.213 7.936507936507936 15 eP-BBD -214 0.214 7.936507936507936 15 eP-BBD -215 0.215 7.936507936507936 15 eP-BBD 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14 eP-BBD -266 0.266 9.032258064516128 14 eP-BBD -267 0.267 9.032258064516128 14 eP-BBD -268 0.268 9.032258064516128 14 eP-BBD -269 0.269 9.032258064516128 14 eP-BBD -270 0.27 9.032258064516128 14 eP-BBD -271 0.271 9.090909090909092 14 eP-BBD -272 0.272 9.090909090909092 14 eP-BBD -273 0.273 9.090909090909092 14 eP-BBD -274 0.274 9.090909090909092 14 eP-BBD -275 0.275 9.090909090909092 14 eP-BBD -276 0.276 9.210526315789473 14 eP-BBD -277 0.277 9.210526315789473 14 eP-BBD -278 0.278 9.210526315789473 14 eP-BBD -279 0.279 9.210526315789473 14 eP-BBD -280 0.28 9.333333333333334 14 eP-BBD -281 0.281 9.333333333333334 14 eP-BBD -282 0.28200000000000003 9.333333333333334 14 eP-BBD -283 0.28300000000000003 9.333333333333334 14 eP-BBD -284 0.28400000000000003 9.333333333333334 14 eP-BBD -285 0.28500000000000003 9.333333333333334 14 eP-BBD -286 0.28600000000000003 9.333333333333334 14 eP-BBD -287 0.28700000000000003 9.333333333333334 14 eP-BBD -288 0.28800000000000003 9.45945945945946 14 eP-BBD -289 0.289 9.45945945945946 14 eP-BBD -290 0.29 9.45945945945946 14 eP-BBD -291 0.291 9.45945945945946 14 eP-BBD -292 0.292 9.45945945945946 14 eP-BBD -293 0.293 9.45945945945946 14 eP-BBD -294 0.294 9.45945945945946 14 eP-BBD -295 0.295 9.45945945945946 14 eP-BBD -296 0.296 9.45945945945946 14 eP-BBD -297 0.297 9.45945945945946 14 eP-BBD -298 0.298 9.45945945945946 14 eP-BBD -299 0.299 9.45945945945946 14 eP-BBD -300 0.3 9.45945945945946 14 eP-BBD -301 0.301 12.745098039215685 13 eP-BBD -302 0.302 12.745098039215685 13 eP-BBD -303 0.303 12.871287128712872 13 eP-BBD -304 0.304 12.871287128712872 13 eP-BBD -305 0.305 12.871287128712872 13 eP-BBD -306 0.306 12.871287128712872 13 eP-BBD -307 0.307 12.871287128712872 13 eP-BBD -308 0.308 12.871287128712872 13 eP-BBD -309 0.309 12.871287128712872 13 eP-BBD -310 0.31 12.871287128712872 13 eP-BBD -311 0.311 12.871287128712872 13 eP-BBD -312 0.312 12.871287128712872 13 eP-BBD -313 0.313 12.871287128712872 13 eP-BBD -314 0.314 12.871287128712872 13 eP-BBD -315 0.315 12.871287128712872 13 eP-BBD -316 0.316 13.131313131313133 13 eP-BBD -317 0.317 13.131313131313133 13 eP-BBD -318 0.318 13.131313131313133 13 eP-BBD -319 0.319 13.131313131313133 13 eP-BBD -320 0.32 13.131313131313133 13 eP-BBD -321 0.321 13.131313131313133 13 eP-BBD -322 0.322 13.131313131313133 13 eP-BBD -323 0.323 13.131313131313133 13 eP-BBD -324 0.324 13.131313131313133 13 eP-BBD -325 0.325 13.131313131313133 13 eP-BBD -326 0.326 13.131313131313133 13 eP-BBD -327 0.327 13.131313131313133 13 eP-BBD -328 0.328 13.131313131313133 13 eP-BBD -329 0.329 13.131313131313133 13 eP-BBD -330 0.33 13.131313131313133 13 eP-BBD -331 0.331 13.131313131313133 13 eP-BBD -332 0.332 13.131313131313133 13 eP-BBD -333 0.333 13.131313131313133 13 eP-BBD -334 0.334 13.131313131313133 13 eP-BBD -335 0.335 13.131313131313133 13 eP-BBD -336 0.336 13.131313131313133 13 eP-BBD -337 0.337 13.131313131313133 13 eP-BBD -338 0.338 13.131313131313133 13 eP-BBD -339 0.339 13.131313131313133 13 eP-BBD -340 0.34 13.131313131313133 13 eP-BBD -341 0.341 13.131313131313133 13 eP-BBD -342 0.342 13.131313131313133 13 eP-BBD -343 0.343 13.131313131313133 13 eP-BBD -344 0.34400000000000003 13.131313131313133 13 eP-BBD -345 0.34500000000000003 13.131313131313133 13 eP-BBD -346 0.34600000000000003 13.131313131313133 13 eP-BBD -347 0.34700000000000003 13.131313131313133 13 eP-BBD -348 0.34800000000000003 13.131313131313133 13 eP-BBD -349 0.34900000000000003 13.131313131313133 13 eP-BBD -350 0.35000000000000003 13.131313131313133 13 eP-BBD -351 0.35100000000000003 13.131313131313133 13 eP-BBD -352 0.352 13.131313131313133 13 eP-BBD -353 0.353 13.131313131313133 13 eP-BBD -354 0.354 13.131313131313133 13 eP-BBD -355 0.355 13.131313131313133 13 eP-BBD -356 0.356 13.131313131313133 13 eP-BBD -357 0.357 13.131313131313133 13 eP-BBD -358 0.358 13.131313131313133 13 eP-BBD -359 0.359 13.131313131313133 13 eP-BBD -360 0.36 13.131313131313133 13 eP-BBD -361 0.361 13.684210526315791 13 eP-BBD -362 0.362 13.684210526315791 13 eP-BBD -363 0.363 13.684210526315791 13 eP-BBD -364 0.364 13.684210526315791 13 eP-BBD -365 0.365 13.684210526315791 13 eP-BBD -366 0.366 13.684210526315791 13 eP-BBD -367 0.367 13.684210526315791 13 eP-BBD -368 0.368 13.684210526315791 13 eP-BBD -369 0.369 13.684210526315791 13 eP-BBD -370 0.37 13.684210526315791 13 eP-BBD -371 0.371 13.684210526315791 13 eP-BBD -372 0.372 13.684210526315791 13 eP-BBD -373 0.373 13.684210526315791 13 eP-BBD -374 0.374 13.684210526315791 13 eP-BBD -375 0.375 13.684210526315791 13 eP-BBD -376 0.376 13.684210526315791 13 eP-BBD -377 0.377 13.684210526315791 13 eP-BBD -378 0.378 13.684210526315791 13 eP-BBD -379 0.379 13.684210526315791 13 eP-BBD -380 0.38 13.684210526315791 13 eP-BBD -381 0.381 13.684210526315791 13 eP-BBD -382 0.382 13.684210526315791 13 eP-BBD -383 0.383 13.684210526315791 13 eP-BBD -384 0.384 13.684210526315791 13 eP-BBD -385 0.385 13.684210526315791 13 eP-BBD -386 0.386 13.684210526315791 13 eP-BBD -387 0.387 13.684210526315791 13 eP-BBD -388 0.388 13.684210526315791 13 eP-BBD -389 0.389 13.684210526315791 13 eP-BBD -390 0.39 13.684210526315791 13 eP-BBD -391 0.391 13.684210526315791 13 eP-BBD -392 0.392 13.684210526315791 13 eP-BBD -393 0.393 13.684210526315791 13 eP-BBD -394 0.394 13.684210526315791 13 eP-BBD -395 0.395 13.684210526315791 13 eP-BBD -396 0.396 13.684210526315791 13 eP-BBD -397 0.397 13.684210526315791 13 eP-BBD -398 0.398 13.684210526315791 13 eP-BBD -399 0.399 13.684210526315791 13 eP-BBD -400 0.4 13.684210526315791 13 eP-BBD -401 0.401 12.676056338028168 9 eP-BBD -402 0.402 12.676056338028168 9 eP-BBD -403 0.403 12.676056338028168 9 eP-BBD -404 0.404 12.676056338028168 9 eP-BBD -405 0.405 12.676056338028168 9 eP-BBD -406 0.406 12.676056338028168 9 eP-BBD -407 0.40700000000000003 12.676056338028168 9 eP-BBD -408 0.40800000000000003 12.676056338028168 9 eP-BBD -409 0.40900000000000003 12.676056338028168 9 eP-BBD -410 0.41000000000000003 12.676056338028168 9 eP-BBD -411 0.41100000000000003 12.676056338028168 9 eP-BBD -412 0.41200000000000003 12.676056338028168 9 eP-BBD -413 0.41300000000000003 12.676056338028168 9 eP-BBD -414 0.41400000000000003 12.676056338028168 9 eP-BBD -415 0.41500000000000004 12.676056338028168 9 eP-BBD -416 0.41600000000000004 12.676056338028168 9 eP-BBD -417 0.417 12.676056338028168 9 eP-BBD -418 0.418 12.676056338028168 9 eP-BBD -419 0.419 12.676056338028168 9 eP-BBD -420 0.42 12.676056338028168 9 eP-BBD -421 0.421 11.76470588235294 8 eP-BBD -422 0.422 11.76470588235294 8 eP-BBD -423 0.423 11.76470588235294 8 eP-BBD -424 0.424 11.76470588235294 8 eP-BBD -425 0.425 11.76470588235294 8 eP-BBD -426 0.426 11.76470588235294 8 eP-BBD -427 0.427 11.76470588235294 8 eP-BBD -428 0.428 11.76470588235294 8 eP-BBD -429 0.429 11.76470588235294 8 eP-BBD -430 0.43 11.76470588235294 8 eP-BBD -431 0.431 11.76470588235294 8 eP-BBD -432 0.432 11.76470588235294 8 eP-BBD -433 0.433 11.76470588235294 8 eP-BBD -434 0.434 11.76470588235294 8 eP-BBD -435 0.435 11.76470588235294 8 eP-BBD -436 0.436 11.76470588235294 8 eP-BBD -437 0.437 11.76470588235294 8 eP-BBD -438 0.438 11.76470588235294 8 eP-BBD -439 0.439 11.76470588235294 8 eP-BBD -440 0.44 11.76470588235294 8 eP-BBD -441 0.441 11.76470588235294 8 eP-BBD -442 0.442 11.76470588235294 8 eP-BBD -443 0.443 11.76470588235294 8 eP-BBD -444 0.444 11.76470588235294 8 eP-BBD -445 0.445 11.76470588235294 8 eP-BBD -446 0.446 11.76470588235294 8 eP-BBD -447 0.447 11.76470588235294 8 eP-BBD -448 0.448 11.76470588235294 8 eP-BBD -449 0.449 11.76470588235294 8 eP-BBD -450 0.45 11.940298507462686 8 eP-BBD -451 0.451 12.5 8 eP-BBD -452 0.452 12.5 8 eP-BBD -453 0.453 12.5 8 eP-BBD -454 0.454 12.5 8 eP-BBD -455 0.455 12.5 8 eP-BBD -456 0.456 12.5 8 eP-BBD -457 0.457 12.5 8 eP-BBD -458 0.458 12.5 8 eP-BBD -459 0.459 12.5 8 eP-BBD -460 0.46 12.5 8 eP-BBD -461 0.461 12.5 8 eP-BBD -462 0.462 12.5 8 eP-BBD -463 0.463 12.5 8 eP-BBD -464 0.464 12.5 8 eP-BBD -465 0.465 12.5 8 eP-BBD -466 0.466 12.5 8 eP-BBD -467 0.467 12.5 8 eP-BBD -468 0.468 12.5 8 eP-BBD -469 0.46900000000000003 12.5 8 eP-BBD -470 0.47000000000000003 12.5 8 eP-BBD -471 0.47100000000000003 12.5 8 eP-BBD -472 0.47200000000000003 12.5 8 eP-BBD -473 0.47300000000000003 12.5 8 eP-BBD -474 0.47400000000000003 12.5 8 eP-BBD -475 0.47500000000000003 12.5 8 eP-BBD -476 0.47600000000000003 12.5 8 eP-BBD -477 0.47700000000000004 12.5 8 eP-BBD -478 0.47800000000000004 12.5 8 eP-BBD -479 0.47900000000000004 12.5 8 eP-BBD -480 0.48 12.5 8 eP-BBD -481 0.481 12.698412698412698 8 eP-BBD -482 0.482 12.698412698412698 8 eP-BBD -483 0.483 12.698412698412698 8 eP-BBD -484 0.484 12.698412698412698 8 eP-BBD -485 0.485 12.698412698412698 8 eP-BBD -486 0.486 12.698412698412698 8 eP-BBD -487 0.487 12.698412698412698 8 eP-BBD -488 0.488 12.698412698412698 8 eP-BBD -489 0.489 12.698412698412698 8 eP-BBD -490 0.49 12.903225806451612 8 eP-BBD -491 0.491 12.903225806451612 8 eP-BBD 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33.33333333333333 1 eP-BBD -893 0.893 33.33333333333333 1 eP-BBD -894 0.894 33.33333333333333 1 eP-BBD -895 0.895 33.33333333333333 1 eP-BBD -896 0.896 33.33333333333333 1 eP-BBD -897 0.897 33.33333333333333 1 eP-BBD -898 0.898 33.33333333333333 1 eP-BBD -899 0.899 33.33333333333333 1 eP-BBD -900 0.9 33.33333333333333 1 eP-BBD -901 0.901 0.0 0 eP-BBD -902 0.902 0.0 0 eP-BBD -903 0.903 0.0 0 eP-BBD -904 0.904 0.0 0 eP-BBD -905 0.905 0.0 0 eP-BBD -906 0.906 0.0 0 eP-BBD -907 0.907 0.0 0 eP-BBD -908 0.908 0.0 0 eP-BBD -909 0.909 0.0 0 eP-BBD -910 0.91 0.0 0 eP-BBD -911 0.911 0.0 0 eP-BBD -912 0.912 0.0 0 eP-BBD -913 0.913 0.0 0 eP-BBD -914 0.914 0.0 0 eP-BBD -915 0.915 0.0 0 eP-BBD -916 0.916 0.0 0 eP-BBD -917 0.917 0.0 0 eP-BBD -918 0.918 0.0 0 eP-BBD -919 0.919 0.0 0 eP-BBD -920 0.92 0.0 0 eP-BBD -921 0.921 0.0 0 eP-BBD -922 0.922 0.0 0 eP-BBD -923 0.923 0.0 0 eP-BBD -924 0.924 0.0 0 eP-BBD -925 0.925 0.0 0 eP-BBD -926 0.926 0.0 0 eP-BBD -927 0.927 0.0 0 eP-BBD -928 0.928 0.0 0 eP-BBD -929 0.929 0.0 0 eP-BBD -930 0.93 0.0 0 eP-BBD -931 0.931 0.0 0 eP-BBD -932 0.932 0.0 0 eP-BBD -933 0.933 0.0 0 eP-BBD -934 0.934 0.0 0 eP-BBD -935 0.935 0.0 0 eP-BBD -936 0.936 0.0 0 eP-BBD -937 0.937 0.0 0 eP-BBD -938 0.9380000000000001 0.0 0 eP-BBD -939 0.9390000000000001 0.0 0 eP-BBD -940 0.9400000000000001 0.0 0 eP-BBD -941 0.9410000000000001 0.0 0 eP-BBD -942 0.9420000000000001 0.0 0 eP-BBD -943 0.9430000000000001 0.0 0 eP-BBD -944 0.9440000000000001 0.0 0 eP-BBD -945 0.9450000000000001 0.0 0 eP-BBD -946 0.9460000000000001 0.0 0 eP-BBD -947 0.9470000000000001 0.0 0 eP-BBD -948 0.9480000000000001 0.0 0 eP-BBD -949 0.9490000000000001 0.0 0 eP-BBD -950 0.9500000000000001 0.0 0 eP-BBD -951 0.9510000000000001 0.0 0 eP-BBD -952 0.9520000000000001 0.0 0 eP-BBD -953 0.9530000000000001 0.0 0 eP-BBD -954 0.9540000000000001 0.0 0 eP-BBD -955 0.9550000000000001 0.0 0 eP-BBD -956 0.9560000000000001 0.0 0 eP-BBD -957 0.9570000000000001 0.0 0 eP-BBD -958 0.9580000000000001 0.0 0 eP-BBD -959 0.9590000000000001 0.0 0 eP-BBD -960 0.96 0.0 0 eP-BBD -961 0.961 0.0 0 eP-BBD -962 0.962 0.0 0 eP-BBD -963 0.963 0.0 0 eP-BBD -964 0.964 0.0 0 eP-BBD -965 0.965 0.0 0 eP-BBD -966 0.966 0.0 0 eP-BBD -967 0.967 0.0 0 eP-BBD -968 0.968 0.0 0 eP-BBD -969 0.969 0.0 0 eP-BBD -970 0.97 0.0 0 eP-BBD -971 0.971 0.0 0 eP-BBD -972 0.972 0.0 0 eP-BBD -973 0.973 0.0 0 eP-BBD -974 0.974 0.0 0 eP-BBD -975 0.975 0.0 0 eP-BBD -976 0.976 0.0 0 eP-BBD -977 0.977 0.0 0 eP-BBD -978 0.978 0.0 0 eP-BBD -979 0.979 0.0 0 eP-BBD -980 0.98 0.0 0 eP-BBD -981 0.981 0.0 0 eP-BBD -982 0.982 0.0 0 eP-BBD -983 0.983 0.0 0 eP-BBD -984 0.984 0.0 0 eP-BBD -985 0.985 0.0 0 eP-BBD -986 0.986 0.0 0 eP-BBD -987 0.987 0.0 0 eP-BBD -988 0.988 0.0 0 eP-BBD -989 0.989 0.0 0 eP-BBD -990 0.99 0.0 0 eP-BBD -991 0.991 0.0 0 eP-BBD -992 0.992 0.0 0 eP-BBD -993 0.993 0.0 0 eP-BBD -994 0.994 0.0 0 eP-BBD -995 0.995 0.0 0 eP-BBD -996 0.996 0.0 0 eP-BBD -997 0.997 0.0 0 eP-BBD -998 0.998 0.0 0 eP-BBD -999 0.999 0.0 0 eP-BBD -0 0.0 2.396804260985353 54 eP-BBD+SOIL -1 0.001 3.6585365853658534 36 eP-BBD+SOIL -2 0.002 3.7815126050420167 36 eP-BBD+SOIL -3 0.003 3.8793103448275863 36 eP-BBD+SOIL -4 0.004 3.7777777777777777 34 eP-BBD+SOIL -5 0.005 3.9170506912442393 34 eP-BBD+SOIL -6 0.006 3.9812646370023423 34 eP-BBD+SOIL -7 0.007 4.1062801932367154 34 eP-BBD+SOIL -8 0.008 4.156479217603912 34 eP-BBD+SOIL -9 0.009000000000000001 4.0 31 eP-BBD+SOIL -10 0.01 4.062909567496723 31 eP-BBD+SOIL -11 0.011 4.329608938547486 31 eP-BBD+SOIL -12 0.012 4.341736694677871 31 eP-BBD+SOIL -13 0.013000000000000001 4.3604651162790695 30 eP-BBD+SOIL -14 0.014 4.373177842565598 30 eP-BBD+SOIL -15 0.015 4.385964912280701 30 eP-BBD+SOIL -16 0.016 4.470938897168406 30 eP-BBD+SOIL -17 0.017 4.5592705167173255 30 eP-BBD+SOIL -18 0.018000000000000002 4.601226993865031 30 eP-BBD+SOIL -19 0.019 4.622496147919876 30 eP-BBD+SOIL -20 0.02 4.622496147919876 30 eP-BBD+SOIL -21 0.021 4.862236628849271 30 eP-BBD+SOIL -22 0.022 4.761904761904762 29 eP-BBD+SOIL -23 0.023 4.769736842105264 29 eP-BBD+SOIL -24 0.024 4.769736842105264 29 eP-BBD+SOIL -25 0.025 4.825291181364393 29 eP-BBD+SOIL -26 0.026000000000000002 4.882154882154882 29 eP-BBD+SOIL -27 0.027 4.882154882154882 29 eP-BBD+SOIL -28 0.028 4.8903878583473865 29 eP-BBD+SOIL -29 0.029 4.915254237288136 29 eP-BBD+SOIL -30 0.03 4.915254237288136 29 eP-BBD+SOIL -31 0.031 5.008944543828265 28 eP-BBD+SOIL -32 0.032 5.008944543828265 28 eP-BBD+SOIL -33 0.033 5.128205128205128 28 eP-BBD+SOIL -34 0.034 5.128205128205128 28 eP-BBD+SOIL -35 0.035 5.147058823529411 28 eP-BBD+SOIL -36 0.036000000000000004 5.253283302063791 28 eP-BBD+SOIL -37 0.037 5.103969754253308 27 eP-BBD+SOIL -38 0.038 5.113636363636364 27 eP-BBD+SOIL -39 0.039 5.1233396584440225 27 eP-BBD+SOIL -40 0.04 5.1233396584440225 27 eP-BBD+SOIL -41 0.041 5.450733752620545 26 eP-BBD+SOIL -42 0.042 5.473684210526316 26 eP-BBD+SOIL -43 0.043000000000000003 5.473684210526316 26 eP-BBD+SOIL -44 0.044 5.473684210526316 26 eP-BBD+SOIL -45 0.045 5.508474576271186 26 eP-BBD+SOIL -46 0.046 5.543710021321962 26 eP-BBD+SOIL -47 0.047 5.543710021321962 26 eP-BBD+SOIL -48 0.048 5.543710021321962 26 eP-BBD+SOIL -49 0.049 5.591397849462366 26 eP-BBD+SOIL -50 0.05 5.591397849462366 26 eP-BBD+SOIL -51 0.051000000000000004 5.79064587973274 26 eP-BBD+SOIL -52 0.052000000000000005 5.79064587973274 26 eP-BBD+SOIL -53 0.053 5.79064587973274 26 eP-BBD+SOIL -54 0.054 5.79064587973274 26 eP-BBD+SOIL -55 0.055 5.8558558558558556 26 eP-BBD+SOIL -56 0.056 5.8690744920993225 26 eP-BBD+SOIL -57 0.057 5.800464037122969 25 eP-BBD+SOIL -58 0.058 5.800464037122969 25 eP-BBD+SOIL -59 0.059000000000000004 5.800464037122969 25 eP-BBD+SOIL -60 0.06 5.800464037122969 25 eP-BBD+SOIL -61 0.061 6.3938618925831205 25 eP-BBD+SOIL -62 0.062 6.3938618925831205 25 eP-BBD+SOIL -63 0.063 6.3938618925831205 25 eP-BBD+SOIL -64 0.064 6.426735218508997 25 eP-BBD+SOIL -65 0.065 6.527415143603134 25 eP-BBD+SOIL -66 0.066 6.527415143603134 25 eP-BBD+SOIL -67 0.067 6.527415143603134 25 eP-BBD+SOIL -68 0.068 6.527415143603134 25 eP-BBD+SOIL -69 0.069 6.527415143603134 25 eP-BBD+SOIL -70 0.07 6.868131868131869 25 eP-BBD+SOIL -71 0.07100000000000001 6.868131868131869 25 eP-BBD+SOIL -72 0.07200000000000001 6.887052341597796 25 eP-BBD+SOIL -73 0.073 6.9252077562326875 25 eP-BBD+SOIL -74 0.074 6.9252077562326875 25 eP-BBD+SOIL -75 0.075 6.9252077562326875 25 eP-BBD+SOIL -76 0.076 6.9252077562326875 25 eP-BBD+SOIL -77 0.077 6.9252077562326875 25 eP-BBD+SOIL -78 0.078 6.9252077562326875 25 eP-BBD+SOIL -79 0.079 6.9252077562326875 25 eP-BBD+SOIL -80 0.08 6.9252077562326875 25 eP-BBD+SOIL -81 0.081 6.764705882352941 23 eP-BBD+SOIL -82 0.082 6.764705882352941 23 eP-BBD+SOIL -83 0.083 6.764705882352941 23 eP-BBD+SOIL -84 0.084 6.784660766961652 23 eP-BBD+SOIL -85 0.085 6.784660766961652 23 eP-BBD+SOIL -86 0.08600000000000001 6.784660766961652 23 eP-BBD+SOIL -87 0.08700000000000001 6.784660766961652 23 eP-BBD+SOIL -88 0.088 6.784660766961652 23 eP-BBD+SOIL -89 0.089 6.784660766961652 23 eP-BBD+SOIL -90 0.09 6.784660766961652 23 eP-BBD+SOIL -91 0.091 6.990881458966565 23 eP-BBD+SOIL -92 0.092 6.990881458966565 23 eP-BBD+SOIL -93 0.093 6.990881458966565 23 eP-BBD+SOIL -94 0.094 6.990881458966565 23 eP-BBD+SOIL -95 0.095 6.990881458966565 23 eP-BBD+SOIL -96 0.096 6.990881458966565 23 eP-BBD+SOIL -97 0.097 7.01219512195122 23 eP-BBD+SOIL -98 0.098 7.01219512195122 23 eP-BBD+SOIL -99 0.099 7.01219512195122 23 eP-BBD+SOIL -100 0.1 7.01219512195122 23 eP-BBD+SOIL -101 0.101 6.83453237410072 19 eP-BBD+SOIL -102 0.10200000000000001 6.83453237410072 19 eP-BBD+SOIL -103 0.10300000000000001 6.83453237410072 19 eP-BBD+SOIL -104 0.10400000000000001 6.83453237410072 19 eP-BBD+SOIL -105 0.105 6.83453237410072 19 eP-BBD+SOIL -106 0.106 6.909090909090909 19 eP-BBD+SOIL -107 0.107 6.909090909090909 19 eP-BBD+SOIL -108 0.108 6.909090909090909 19 eP-BBD+SOIL -109 0.109 6.95970695970696 19 eP-BBD+SOIL -110 0.11 6.95970695970696 19 eP-BBD+SOIL -111 0.111 6.95970695970696 19 eP-BBD+SOIL -112 0.112 7.037037037037037 19 eP-BBD+SOIL -113 0.113 6.741573033707865 18 eP-BBD+SOIL -114 0.114 6.741573033707865 18 eP-BBD+SOIL -115 0.115 6.741573033707865 18 eP-BBD+SOIL -116 0.116 6.741573033707865 18 eP-BBD+SOIL -117 0.117 6.741573033707865 18 eP-BBD+SOIL -118 0.11800000000000001 6.741573033707865 18 eP-BBD+SOIL -119 0.11900000000000001 6.741573033707865 18 eP-BBD+SOIL -120 0.12 6.741573033707865 18 eP-BBD+SOIL -121 0.121 6.425702811244979 16 eP-BBD+SOIL -122 0.122 6.425702811244979 16 eP-BBD+SOIL -123 0.123 6.425702811244979 16 eP-BBD+SOIL -124 0.124 6.425702811244979 16 eP-BBD+SOIL -125 0.125 6.425702811244979 16 eP-BBD+SOIL -126 0.126 6.451612903225806 16 eP-BBD+SOIL -127 0.127 6.451612903225806 16 eP-BBD+SOIL -128 0.128 6.451612903225806 16 eP-BBD+SOIL -129 0.129 6.451612903225806 16 eP-BBD+SOIL -130 0.13 6.451612903225806 16 eP-BBD+SOIL -131 0.131 6.451612903225806 16 eP-BBD+SOIL -132 0.132 6.451612903225806 16 eP-BBD+SOIL -133 0.133 6.451612903225806 16 eP-BBD+SOIL -134 0.134 6.451612903225806 16 eP-BBD+SOIL -135 0.135 6.451612903225806 16 eP-BBD+SOIL -136 0.136 6.451612903225806 16 eP-BBD+SOIL -137 0.137 6.451612903225806 16 eP-BBD+SOIL -138 0.138 6.451612903225806 16 eP-BBD+SOIL -139 0.139 6.451612903225806 16 eP-BBD+SOIL -140 0.14 5.957446808510639 14 eP-BBD+SOIL -141 0.14100000000000001 5.957446808510639 14 eP-BBD+SOIL -142 0.14200000000000002 5.957446808510639 14 eP-BBD+SOIL -143 0.14300000000000002 5.957446808510639 14 eP-BBD+SOIL -144 0.14400000000000002 5.957446808510639 14 eP-BBD+SOIL -145 0.145 5.957446808510639 14 eP-BBD+SOIL -146 0.146 5.957446808510639 14 eP-BBD+SOIL -147 0.147 5.957446808510639 14 eP-BBD+SOIL -148 0.148 5.957446808510639 14 eP-BBD+SOIL -149 0.149 5.957446808510639 14 eP-BBD+SOIL -150 0.15 5.957446808510639 14 eP-BBD+SOIL -151 0.151 6.11353711790393 14 eP-BBD+SOIL -152 0.152 6.11353711790393 14 eP-BBD+SOIL -153 0.153 6.11353711790393 14 eP-BBD+SOIL -154 0.154 6.11353711790393 14 eP-BBD+SOIL -155 0.155 6.11353711790393 14 eP-BBD+SOIL -156 0.156 6.11353711790393 14 eP-BBD+SOIL -157 0.157 6.11353711790393 14 eP-BBD+SOIL -158 0.158 6.11353711790393 14 eP-BBD+SOIL -159 0.159 6.11353711790393 14 eP-BBD+SOIL -160 0.16 6.11353711790393 14 eP-BBD+SOIL -161 0.161 6.046511627906977 13 eP-BBD+SOIL -162 0.162 6.046511627906977 13 eP-BBD+SOIL -163 0.163 6.074766355140187 13 eP-BBD+SOIL -164 0.164 6.074766355140187 13 eP-BBD+SOIL -165 0.165 6.074766355140187 13 eP-BBD+SOIL -166 0.166 6.074766355140187 13 eP-BBD+SOIL -167 0.167 6.074766355140187 13 eP-BBD+SOIL -168 0.168 6.074766355140187 13 eP-BBD+SOIL -169 0.169 6.074766355140187 13 eP-BBD+SOIL -170 0.17 6.074766355140187 13 eP-BBD+SOIL -171 0.171 6.074766355140187 13 eP-BBD+SOIL -172 0.17200000000000001 6.074766355140187 13 eP-BBD+SOIL -173 0.17300000000000001 6.074766355140187 13 eP-BBD+SOIL -174 0.17400000000000002 6.074766355140187 13 eP-BBD+SOIL -175 0.17500000000000002 6.103286384976526 13 eP-BBD+SOIL -176 0.176 6.103286384976526 13 eP-BBD+SOIL -177 0.177 6.103286384976526 13 eP-BBD+SOIL -178 0.178 6.103286384976526 13 eP-BBD+SOIL -179 0.179 6.103286384976526 13 eP-BBD+SOIL -180 0.18 6.103286384976526 13 eP-BBD+SOIL -181 0.181 6.467661691542288 13 eP-BBD+SOIL -182 0.182 6.467661691542288 13 eP-BBD+SOIL -183 0.183 6.467661691542288 13 eP-BBD+SOIL -184 0.184 6.467661691542288 13 eP-BBD+SOIL -185 0.185 6.467661691542288 13 eP-BBD+SOIL -186 0.186 6.467661691542288 13 eP-BBD+SOIL -187 0.187 6.467661691542288 13 eP-BBD+SOIL -188 0.188 6.467661691542288 13 eP-BBD+SOIL -189 0.189 6.467661691542288 13 eP-BBD+SOIL -190 0.19 6.467661691542288 13 eP-BBD+SOIL -191 0.191 6.467661691542288 13 eP-BBD+SOIL -192 0.192 6.467661691542288 13 eP-BBD+SOIL -193 0.193 6.467661691542288 13 eP-BBD+SOIL -194 0.194 6.467661691542288 13 eP-BBD+SOIL -195 0.195 6.467661691542288 13 eP-BBD+SOIL -196 0.196 6.467661691542288 13 eP-BBD+SOIL -197 0.197 6.467661691542288 13 eP-BBD+SOIL -198 0.198 6.467661691542288 13 eP-BBD+SOIL -199 0.199 6.467661691542288 13 eP-BBD+SOIL -200 0.2 6.467661691542288 13 eP-BBD+SOIL -201 0.201 5.755395683453238 8 eP-BBD+SOIL -202 0.202 5.755395683453238 8 eP-BBD+SOIL -203 0.203 5.755395683453238 8 eP-BBD+SOIL -204 0.20400000000000001 5.755395683453238 8 eP-BBD+SOIL -205 0.20500000000000002 5.755395683453238 8 eP-BBD+SOIL -206 0.20600000000000002 5.755395683453238 8 eP-BBD+SOIL -207 0.20700000000000002 5.755395683453238 8 eP-BBD+SOIL -208 0.20800000000000002 5.755395683453238 8 eP-BBD+SOIL -209 0.209 5.755395683453238 8 eP-BBD+SOIL -210 0.21 5.755395683453238 8 eP-BBD+SOIL -211 0.211 5.839416058394161 8 eP-BBD+SOIL -212 0.212 5.839416058394161 8 eP-BBD+SOIL -213 0.213 5.839416058394161 8 eP-BBD+SOIL -214 0.214 5.839416058394161 8 eP-BBD+SOIL -215 0.215 5.839416058394161 8 eP-BBD+SOIL -216 0.216 5.839416058394161 8 eP-BBD+SOIL -217 0.217 5.839416058394161 8 eP-BBD+SOIL -218 0.218 5.839416058394161 8 eP-BBD+SOIL -219 0.219 5.839416058394161 8 eP-BBD+SOIL -220 0.22 5.839416058394161 8 eP-BBD+SOIL -221 0.221 5.839416058394161 8 eP-BBD+SOIL -222 0.222 5.839416058394161 8 eP-BBD+SOIL -223 0.223 5.839416058394161 8 eP-BBD+SOIL -224 0.224 5.839416058394161 8 eP-BBD+SOIL -225 0.225 5.839416058394161 8 eP-BBD+SOIL -226 0.226 5.839416058394161 8 eP-BBD+SOIL -227 0.227 5.839416058394161 8 eP-BBD+SOIL -228 0.228 5.839416058394161 8 eP-BBD+SOIL -229 0.229 5.839416058394161 8 eP-BBD+SOIL -230 0.23 5.839416058394161 8 eP-BBD+SOIL -231 0.231 5.839416058394161 8 eP-BBD+SOIL -232 0.232 5.839416058394161 8 eP-BBD+SOIL -233 0.233 5.839416058394161 8 eP-BBD+SOIL -234 0.234 5.839416058394161 8 eP-BBD+SOIL -235 0.23500000000000001 5.839416058394161 8 eP-BBD+SOIL -236 0.23600000000000002 5.839416058394161 8 eP-BBD+SOIL -237 0.23700000000000002 5.839416058394161 8 eP-BBD+SOIL -238 0.23800000000000002 5.839416058394161 8 eP-BBD+SOIL -239 0.23900000000000002 5.839416058394161 8 eP-BBD+SOIL -240 0.24 5.839416058394161 8 eP-BBD+SOIL -241 0.241 5.88235294117647 8 eP-BBD+SOIL -242 0.242 5.88235294117647 8 eP-BBD+SOIL -243 0.243 5.88235294117647 8 eP-BBD+SOIL -244 0.244 5.88235294117647 8 eP-BBD+SOIL -245 0.245 5.88235294117647 8 eP-BBD+SOIL -246 0.246 5.88235294117647 8 eP-BBD+SOIL -247 0.247 5.88235294117647 8 eP-BBD+SOIL -248 0.248 5.88235294117647 8 eP-BBD+SOIL -249 0.249 5.88235294117647 8 eP-BBD+SOIL -250 0.25 5.88235294117647 8 eP-BBD+SOIL -251 0.251 5.970149253731343 8 eP-BBD+SOIL -252 0.252 5.970149253731343 8 eP-BBD+SOIL -253 0.253 5.970149253731343 8 eP-BBD+SOIL -254 0.254 5.970149253731343 8 eP-BBD+SOIL -255 0.255 5.970149253731343 8 eP-BBD+SOIL -256 0.256 5.970149253731343 8 eP-BBD+SOIL -257 0.257 5.970149253731343 8 eP-BBD+SOIL -258 0.258 5.970149253731343 8 eP-BBD+SOIL -259 0.259 5.970149253731343 8 eP-BBD+SOIL -260 0.26 5.970149253731343 8 eP-BBD+SOIL -261 0.261 5.970149253731343 8 eP-BBD+SOIL -262 0.262 5.970149253731343 8 eP-BBD+SOIL -263 0.263 5.970149253731343 8 eP-BBD+SOIL -264 0.264 5.970149253731343 8 eP-BBD+SOIL -265 0.265 5.970149253731343 8 eP-BBD+SOIL -266 0.266 5.970149253731343 8 eP-BBD+SOIL -267 0.267 5.970149253731343 8 eP-BBD+SOIL -268 0.268 5.970149253731343 8 eP-BBD+SOIL -269 0.269 5.970149253731343 8 eP-BBD+SOIL -270 0.27 5.970149253731343 8 eP-BBD+SOIL -271 0.271 5.970149253731343 8 eP-BBD+SOIL -272 0.272 5.970149253731343 8 eP-BBD+SOIL -273 0.273 5.970149253731343 8 eP-BBD+SOIL -274 0.274 5.970149253731343 8 eP-BBD+SOIL -275 0.275 5.970149253731343 8 eP-BBD+SOIL -276 0.276 5.970149253731343 8 eP-BBD+SOIL -277 0.277 5.970149253731343 8 eP-BBD+SOIL -278 0.278 5.970149253731343 8 eP-BBD+SOIL -279 0.279 5.970149253731343 8 eP-BBD+SOIL -280 0.28 5.46875 7 eP-BBD+SOIL -281 0.281 5.46875 7 eP-BBD+SOIL -282 0.28200000000000003 5.46875 7 eP-BBD+SOIL -283 0.28300000000000003 5.46875 7 eP-BBD+SOIL -284 0.28400000000000003 5.46875 7 eP-BBD+SOIL -285 0.28500000000000003 5.46875 7 eP-BBD+SOIL -286 0.28600000000000003 5.46875 7 eP-BBD+SOIL -287 0.28700000000000003 5.46875 7 eP-BBD+SOIL -288 0.28800000000000003 5.46875 7 eP-BBD+SOIL -289 0.289 5.46875 7 eP-BBD+SOIL -290 0.29 5.46875 7 eP-BBD+SOIL -291 0.291 5.46875 7 eP-BBD+SOIL -292 0.292 5.46875 7 eP-BBD+SOIL -293 0.293 5.46875 7 eP-BBD+SOIL -294 0.294 5.46875 7 eP-BBD+SOIL -295 0.295 5.46875 7 eP-BBD+SOIL -296 0.296 5.46875 7 eP-BBD+SOIL -297 0.297 5.46875 7 eP-BBD+SOIL -298 0.298 5.46875 7 eP-BBD+SOIL -299 0.299 5.46875 7 eP-BBD+SOIL -300 0.3 5.46875 7 eP-BBD+SOIL -301 0.301 4.62962962962963 5 eP-BBD+SOIL -302 0.302 4.62962962962963 5 eP-BBD+SOIL -303 0.303 4.62962962962963 5 eP-BBD+SOIL -304 0.304 4.62962962962963 5 eP-BBD+SOIL -305 0.305 4.62962962962963 5 eP-BBD+SOIL -306 0.306 4.62962962962963 5 eP-BBD+SOIL -307 0.307 4.62962962962963 5 eP-BBD+SOIL -308 0.308 4.62962962962963 5 eP-BBD+SOIL -309 0.309 4.62962962962963 5 eP-BBD+SOIL -310 0.31 4.62962962962963 5 eP-BBD+SOIL -311 0.311 4.62962962962963 5 eP-BBD+SOIL -312 0.312 4.62962962962963 5 eP-BBD+SOIL -313 0.313 4.62962962962963 5 eP-BBD+SOIL -314 0.314 4.62962962962963 5 eP-BBD+SOIL -315 0.315 4.62962962962963 5 eP-BBD+SOIL -316 0.316 4.62962962962963 5 eP-BBD+SOIL -317 0.317 4.62962962962963 5 eP-BBD+SOIL -318 0.318 4.62962962962963 5 eP-BBD+SOIL -319 0.319 4.62962962962963 5 eP-BBD+SOIL -320 0.32 4.62962962962963 5 eP-BBD+SOIL -321 0.321 4.716981132075472 5 eP-BBD+SOIL -322 0.322 4.716981132075472 5 eP-BBD+SOIL -323 0.323 4.716981132075472 5 eP-BBD+SOIL -324 0.324 4.716981132075472 5 eP-BBD+SOIL -325 0.325 4.716981132075472 5 eP-BBD+SOIL -326 0.326 4.716981132075472 5 eP-BBD+SOIL -327 0.327 4.716981132075472 5 eP-BBD+SOIL -328 0.328 4.716981132075472 5 eP-BBD+SOIL -329 0.329 4.716981132075472 5 eP-BBD+SOIL -330 0.33 4.716981132075472 5 eP-BBD+SOIL -331 0.331 4.716981132075472 5 eP-BBD+SOIL -332 0.332 4.716981132075472 5 eP-BBD+SOIL -333 0.333 4.716981132075472 5 eP-BBD+SOIL -334 0.334 4.716981132075472 5 eP-BBD+SOIL -335 0.335 4.716981132075472 5 eP-BBD+SOIL -336 0.336 4.716981132075472 5 eP-BBD+SOIL -337 0.337 4.716981132075472 5 eP-BBD+SOIL -338 0.338 4.716981132075472 5 eP-BBD+SOIL -339 0.339 4.716981132075472 5 eP-BBD+SOIL -340 0.34 4.716981132075472 5 eP-BBD+SOIL -341 0.341 4.716981132075472 5 eP-BBD+SOIL -342 0.342 4.716981132075472 5 eP-BBD+SOIL -343 0.343 4.716981132075472 5 eP-BBD+SOIL -344 0.34400000000000003 4.716981132075472 5 eP-BBD+SOIL -345 0.34500000000000003 4.716981132075472 5 eP-BBD+SOIL -346 0.34600000000000003 4.716981132075472 5 eP-BBD+SOIL -347 0.34700000000000003 4.716981132075472 5 eP-BBD+SOIL -348 0.34800000000000003 4.716981132075472 5 eP-BBD+SOIL -349 0.34900000000000003 4.716981132075472 5 eP-BBD+SOIL -350 0.35000000000000003 4.807692307692308 5 eP-BBD+SOIL -351 0.35100000000000003 4.807692307692308 5 eP-BBD+SOIL -352 0.352 4.807692307692308 5 eP-BBD+SOIL -353 0.353 4.807692307692308 5 eP-BBD+SOIL -354 0.354 4.807692307692308 5 eP-BBD+SOIL -355 0.355 4.807692307692308 5 eP-BBD+SOIL -356 0.356 4.807692307692308 5 eP-BBD+SOIL -357 0.357 4.807692307692308 5 eP-BBD+SOIL -358 0.358 4.807692307692308 5 eP-BBD+SOIL -359 0.359 4.807692307692308 5 eP-BBD+SOIL -360 0.36 4.807692307692308 5 eP-BBD+SOIL -361 0.361 4.854368932038835 5 eP-BBD+SOIL -362 0.362 4.854368932038835 5 eP-BBD+SOIL -363 0.363 4.854368932038835 5 eP-BBD+SOIL -364 0.364 4.854368932038835 5 eP-BBD+SOIL -365 0.365 4.854368932038835 5 eP-BBD+SOIL -366 0.366 4.854368932038835 5 eP-BBD+SOIL -367 0.367 4.854368932038835 5 eP-BBD+SOIL -368 0.368 4.854368932038835 5 eP-BBD+SOIL -369 0.369 4.854368932038835 5 eP-BBD+SOIL -370 0.37 4.854368932038835 5 eP-BBD+SOIL -371 0.371 4.854368932038835 5 eP-BBD+SOIL -372 0.372 4.854368932038835 5 eP-BBD+SOIL -373 0.373 4.854368932038835 5 eP-BBD+SOIL -374 0.374 4.854368932038835 5 eP-BBD+SOIL -375 0.375 4.854368932038835 5 eP-BBD+SOIL -376 0.376 4.854368932038835 5 eP-BBD+SOIL -377 0.377 4.854368932038835 5 eP-BBD+SOIL -378 0.378 4.854368932038835 5 eP-BBD+SOIL -379 0.379 4.854368932038835 5 eP-BBD+SOIL -380 0.38 4.854368932038835 5 eP-BBD+SOIL -381 0.381 4.854368932038835 5 eP-BBD+SOIL -382 0.382 4.854368932038835 5 eP-BBD+SOIL -383 0.383 4.854368932038835 5 eP-BBD+SOIL -384 0.384 4.854368932038835 5 eP-BBD+SOIL -385 0.385 4.854368932038835 5 eP-BBD+SOIL -386 0.386 4.854368932038835 5 eP-BBD+SOIL -387 0.387 4.854368932038835 5 eP-BBD+SOIL -388 0.388 4.854368932038835 5 eP-BBD+SOIL -389 0.389 4.854368932038835 5 eP-BBD+SOIL -390 0.39 4.854368932038835 5 eP-BBD+SOIL -391 0.391 4.854368932038835 5 eP-BBD+SOIL -392 0.392 4.854368932038835 5 eP-BBD+SOIL -393 0.393 4.854368932038835 5 eP-BBD+SOIL -394 0.394 4.854368932038835 5 eP-BBD+SOIL -395 0.395 4.854368932038835 5 eP-BBD+SOIL -396 0.396 4.854368932038835 5 eP-BBD+SOIL -397 0.397 4.854368932038835 5 eP-BBD+SOIL -398 0.398 4.854368932038835 5 eP-BBD+SOIL -399 0.399 4.854368932038835 5 eP-BBD+SOIL -400 0.4 4.854368932038835 5 eP-BBD+SOIL -401 0.401 4.938271604938271 4 eP-BBD+SOIL -402 0.402 4.938271604938271 4 eP-BBD+SOIL -403 0.403 4.938271604938271 4 eP-BBD+SOIL -404 0.404 4.938271604938271 4 eP-BBD+SOIL -405 0.405 4.938271604938271 4 eP-BBD+SOIL -406 0.406 4.938271604938271 4 eP-BBD+SOIL -407 0.40700000000000003 4.938271604938271 4 eP-BBD+SOIL -408 0.40800000000000003 4.938271604938271 4 eP-BBD+SOIL -409 0.40900000000000003 4.938271604938271 4 eP-BBD+SOIL -410 0.41000000000000003 4.938271604938271 4 eP-BBD+SOIL -411 0.41100000000000003 4.938271604938271 4 eP-BBD+SOIL -412 0.41200000000000003 4.938271604938271 4 eP-BBD+SOIL -413 0.41300000000000003 4.938271604938271 4 eP-BBD+SOIL -414 0.41400000000000003 4.938271604938271 4 eP-BBD+SOIL -415 0.41500000000000004 4.938271604938271 4 eP-BBD+SOIL -416 0.41600000000000004 4.938271604938271 4 eP-BBD+SOIL -417 0.417 4.938271604938271 4 eP-BBD+SOIL -418 0.418 4.938271604938271 4 eP-BBD+SOIL -419 0.419 4.938271604938271 4 eP-BBD+SOIL -420 0.42 4.938271604938271 4 eP-BBD+SOIL -421 0.421 5.063291139240507 4 eP-BBD+SOIL -422 0.422 5.063291139240507 4 eP-BBD+SOIL -423 0.423 5.063291139240507 4 eP-BBD+SOIL -424 0.424 5.063291139240507 4 eP-BBD+SOIL -425 0.425 5.063291139240507 4 eP-BBD+SOIL -426 0.426 5.063291139240507 4 eP-BBD+SOIL -427 0.427 5.063291139240507 4 eP-BBD+SOIL -428 0.428 5.063291139240507 4 eP-BBD+SOIL -429 0.429 5.063291139240507 4 eP-BBD+SOIL -430 0.43 5.063291139240507 4 eP-BBD+SOIL -431 0.431 5.063291139240507 4 eP-BBD+SOIL -432 0.432 5.063291139240507 4 eP-BBD+SOIL -433 0.433 5.063291139240507 4 eP-BBD+SOIL -434 0.434 5.063291139240507 4 eP-BBD+SOIL -435 0.435 5.063291139240507 4 eP-BBD+SOIL -436 0.436 5.063291139240507 4 eP-BBD+SOIL -437 0.437 5.063291139240507 4 eP-BBD+SOIL -438 0.438 5.063291139240507 4 eP-BBD+SOIL -439 0.439 5.063291139240507 4 eP-BBD+SOIL -440 0.44 5.063291139240507 4 eP-BBD+SOIL -441 0.441 5.063291139240507 4 eP-BBD+SOIL -442 0.442 5.063291139240507 4 eP-BBD+SOIL -443 0.443 5.063291139240507 4 eP-BBD+SOIL -444 0.444 5.063291139240507 4 eP-BBD+SOIL -445 0.445 5.063291139240507 4 eP-BBD+SOIL -446 0.446 5.063291139240507 4 eP-BBD+SOIL -447 0.447 5.063291139240507 4 eP-BBD+SOIL -448 0.448 5.063291139240507 4 eP-BBD+SOIL -449 0.449 5.063291139240507 4 eP-BBD+SOIL -450 0.45 5.128205128205128 4 eP-BBD+SOIL -451 0.451 5.128205128205128 4 eP-BBD+SOIL -452 0.452 5.128205128205128 4 eP-BBD+SOIL -453 0.453 5.128205128205128 4 eP-BBD+SOIL -454 0.454 5.128205128205128 4 eP-BBD+SOIL -455 0.455 5.128205128205128 4 eP-BBD+SOIL -456 0.456 5.128205128205128 4 eP-BBD+SOIL -457 0.457 5.128205128205128 4 eP-BBD+SOIL -458 0.458 5.128205128205128 4 eP-BBD+SOIL -459 0.459 5.128205128205128 4 eP-BBD+SOIL -460 0.46 5.128205128205128 4 eP-BBD+SOIL -461 0.461 5.128205128205128 4 eP-BBD+SOIL -462 0.462 5.128205128205128 4 eP-BBD+SOIL -463 0.463 5.128205128205128 4 eP-BBD+SOIL -464 0.464 5.128205128205128 4 eP-BBD+SOIL -465 0.465 5.128205128205128 4 eP-BBD+SOIL -466 0.466 5.128205128205128 4 eP-BBD+SOIL -467 0.467 5.128205128205128 4 eP-BBD+SOIL -468 0.468 5.128205128205128 4 eP-BBD+SOIL -469 0.46900000000000003 5.128205128205128 4 eP-BBD+SOIL -470 0.47000000000000003 5.128205128205128 4 eP-BBD+SOIL -471 0.47100000000000003 5.128205128205128 4 eP-BBD+SOIL -472 0.47200000000000003 5.128205128205128 4 eP-BBD+SOIL -473 0.47300000000000003 5.128205128205128 4 eP-BBD+SOIL -474 0.47400000000000003 5.128205128205128 4 eP-BBD+SOIL -475 0.47500000000000003 5.128205128205128 4 eP-BBD+SOIL -476 0.47600000000000003 5.128205128205128 4 eP-BBD+SOIL -477 0.47700000000000004 5.128205128205128 4 eP-BBD+SOIL -478 0.47800000000000004 5.128205128205128 4 eP-BBD+SOIL -479 0.47900000000000004 5.128205128205128 4 eP-BBD+SOIL -480 0.48 5.128205128205128 4 eP-BBD+SOIL -481 0.481 5.128205128205128 4 eP-BBD+SOIL -482 0.482 5.128205128205128 4 eP-BBD+SOIL -483 0.483 5.128205128205128 4 eP-BBD+SOIL -484 0.484 5.128205128205128 4 eP-BBD+SOIL -485 0.485 5.128205128205128 4 eP-BBD+SOIL -486 0.486 5.128205128205128 4 eP-BBD+SOIL -487 0.487 5.128205128205128 4 eP-BBD+SOIL -488 0.488 5.128205128205128 4 eP-BBD+SOIL -489 0.489 5.128205128205128 4 eP-BBD+SOIL -490 0.49 5.128205128205128 4 eP-BBD+SOIL -491 0.491 5.128205128205128 4 eP-BBD+SOIL -492 0.492 5.128205128205128 4 eP-BBD+SOIL -493 0.493 5.128205128205128 4 eP-BBD+SOIL -494 0.494 5.128205128205128 4 eP-BBD+SOIL -495 0.495 5.128205128205128 4 eP-BBD+SOIL -496 0.496 5.128205128205128 4 eP-BBD+SOIL -497 0.497 5.128205128205128 4 eP-BBD+SOIL -498 0.498 5.128205128205128 4 eP-BBD+SOIL -499 0.499 5.128205128205128 4 eP-BBD+SOIL -500 0.5 5.128205128205128 4 eP-BBD+SOIL -501 0.501 4.166666666666666 3 eP-BBD+SOIL -502 0.502 4.166666666666666 3 eP-BBD+SOIL -503 0.503 4.166666666666666 3 eP-BBD+SOIL -504 0.504 4.166666666666666 3 eP-BBD+SOIL -505 0.505 4.166666666666666 3 eP-BBD+SOIL -506 0.506 4.166666666666666 3 eP-BBD+SOIL -507 0.507 4.166666666666666 3 eP-BBD+SOIL -508 0.508 4.166666666666666 3 eP-BBD+SOIL -509 0.509 4.166666666666666 3 eP-BBD+SOIL -510 0.51 4.166666666666666 3 eP-BBD+SOIL -511 0.511 4.166666666666666 3 eP-BBD+SOIL -512 0.512 4.166666666666666 3 eP-BBD+SOIL -513 0.513 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4.166666666666666 3 eP-BBD+SOIL -537 0.537 4.166666666666666 3 eP-BBD+SOIL -538 0.538 4.166666666666666 3 eP-BBD+SOIL -539 0.539 4.166666666666666 3 eP-BBD+SOIL -540 0.54 4.166666666666666 3 eP-BBD+SOIL -541 0.541 4.166666666666666 3 eP-BBD+SOIL -542 0.542 4.166666666666666 3 eP-BBD+SOIL -543 0.543 4.166666666666666 3 eP-BBD+SOIL -544 0.544 4.166666666666666 3 eP-BBD+SOIL -545 0.545 4.166666666666666 3 eP-BBD+SOIL -546 0.546 4.166666666666666 3 eP-BBD+SOIL -547 0.547 4.166666666666666 3 eP-BBD+SOIL -548 0.548 4.166666666666666 3 eP-BBD+SOIL -549 0.549 4.166666666666666 3 eP-BBD+SOIL -550 0.55 4.166666666666666 3 eP-BBD+SOIL -551 0.551 4.166666666666666 3 eP-BBD+SOIL -552 0.552 4.166666666666666 3 eP-BBD+SOIL -553 0.553 4.166666666666666 3 eP-BBD+SOIL -554 0.554 4.166666666666666 3 eP-BBD+SOIL -555 0.555 4.166666666666666 3 eP-BBD+SOIL -556 0.556 4.166666666666666 3 eP-BBD+SOIL -557 0.557 4.166666666666666 3 eP-BBD+SOIL -558 0.558 4.166666666666666 3 eP-BBD+SOIL -559 0.559 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-897 0.897 50.0 1 eP-BBD+SOIL -898 0.898 50.0 1 eP-BBD+SOIL -899 0.899 50.0 1 eP-BBD+SOIL -900 0.9 50.0 1 eP-BBD+SOIL -901 0.901 0.0 0 eP-BBD+SOIL -902 0.902 0.0 0 eP-BBD+SOIL -903 0.903 0.0 0 eP-BBD+SOIL -904 0.904 0.0 0 eP-BBD+SOIL -905 0.905 0.0 0 eP-BBD+SOIL -906 0.906 0.0 0 eP-BBD+SOIL -907 0.907 0.0 0 eP-BBD+SOIL -908 0.908 0.0 0 eP-BBD+SOIL -909 0.909 0.0 0 eP-BBD+SOIL -910 0.91 0.0 0 eP-BBD+SOIL -911 0.911 0.0 0 eP-BBD+SOIL -912 0.912 0.0 0 eP-BBD+SOIL -913 0.913 0.0 0 eP-BBD+SOIL -914 0.914 0.0 0 eP-BBD+SOIL -915 0.915 0.0 0 eP-BBD+SOIL -916 0.916 0.0 0 eP-BBD+SOIL -917 0.917 0.0 0 eP-BBD+SOIL -918 0.918 0.0 0 eP-BBD+SOIL -919 0.919 0.0 0 eP-BBD+SOIL -920 0.92 0.0 0 eP-BBD+SOIL -921 0.921 0.0 0 eP-BBD+SOIL -922 0.922 0.0 0 eP-BBD+SOIL -923 0.923 0.0 0 eP-BBD+SOIL -924 0.924 0.0 0 eP-BBD+SOIL -925 0.925 0.0 0 eP-BBD+SOIL -926 0.926 0.0 0 eP-BBD+SOIL -927 0.927 0.0 0 eP-BBD+SOIL -928 0.928 0.0 0 eP-BBD+SOIL -929 0.929 0.0 0 eP-BBD+SOIL -930 0.93 0.0 0 eP-BBD+SOIL -931 0.931 0.0 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0.9570000000000001 0.0 0 eP-BBD+SOIL -958 0.9580000000000001 0.0 0 eP-BBD+SOIL -959 0.9590000000000001 0.0 0 eP-BBD+SOIL -960 0.96 0.0 0 eP-BBD+SOIL -961 0.961 0.0 0 eP-BBD+SOIL -962 0.962 0.0 0 eP-BBD+SOIL -963 0.963 0.0 0 eP-BBD+SOIL -964 0.964 0.0 0 eP-BBD+SOIL -965 0.965 0.0 0 eP-BBD+SOIL -966 0.966 0.0 0 eP-BBD+SOIL -967 0.967 0.0 0 eP-BBD+SOIL -968 0.968 0.0 0 eP-BBD+SOIL -969 0.969 0.0 0 eP-BBD+SOIL -970 0.97 0.0 0 eP-BBD+SOIL -971 0.971 0.0 0 eP-BBD+SOIL -972 0.972 0.0 0 eP-BBD+SOIL -973 0.973 0.0 0 eP-BBD+SOIL -974 0.974 0.0 0 eP-BBD+SOIL -975 0.975 0.0 0 eP-BBD+SOIL -976 0.976 0.0 0 eP-BBD+SOIL -977 0.977 0.0 0 eP-BBD+SOIL -978 0.978 0.0 0 eP-BBD+SOIL -979 0.979 0.0 0 eP-BBD+SOIL -980 0.98 0.0 0 eP-BBD+SOIL -981 0.981 0.0 0 eP-BBD+SOIL -982 0.982 0.0 0 eP-BBD+SOIL -983 0.983 0.0 0 eP-BBD+SOIL -984 0.984 0.0 0 eP-BBD+SOIL -985 0.985 0.0 0 eP-BBD+SOIL -986 0.986 0.0 0 eP-BBD+SOIL -987 0.987 0.0 0 eP-BBD+SOIL -988 0.988 0.0 0 eP-BBD+SOIL -989 0.989 0.0 0 eP-BBD+SOIL -990 0.99 0.0 0 eP-BBD+SOIL -991 0.991 0.0 0 eP-BBD+SOIL -992 0.992 0.0 0 eP-BBD+SOIL -993 0.993 0.0 0 eP-BBD+SOIL -994 0.994 0.0 0 eP-BBD+SOIL -995 0.995 0.0 0 eP-BBD+SOIL -996 0.996 0.0 0 eP-BBD+SOIL -997 0.997 0.0 0 eP-BBD+SOIL -998 0.998 0.0 0 eP-BBD+SOIL -999 0.999 0.0 0 eP-BBD+SOIL -0 0.0 2.263648468708389 51 eP-BBD+SLUDGE -1 0.001 3.881278538812785 34 eP-BBD+SLUDGE -2 0.002 3.975903614457831 33 eP-BBD+SLUDGE -3 0.003 4.209183673469387 33 eP-BBD+SLUDGE -4 0.004 4.423592493297587 33 eP-BBD+SLUDGE -5 0.005 4.602510460251046 33 eP-BBD+SLUDGE -6 0.006 4.714285714285714 33 eP-BBD+SLUDGE -7 0.007 4.867256637168142 33 eP-BBD+SLUDGE -8 0.008 5.007587253414264 33 eP-BBD+SLUDGE -9 0.009000000000000001 5.15625 33 eP-BBD+SLUDGE -10 0.01 5.196850393700787 33 eP-BBD+SLUDGE -11 0.011 5.679862306368331 33 eP-BBD+SLUDGE -12 0.012 5.719237435008666 33 eP-BBD+SLUDGE -13 0.013000000000000001 5.9891107078039925 33 eP-BBD+SLUDGE -14 0.014 6.032906764168191 33 eP-BBD+SLUDGE -15 0.015 6.133828996282528 33 eP-BBD+SLUDGE -16 0.016 6.203007518796992 33 eP-BBD+SLUDGE -17 0.017 6.189555125725339 32 eP-BBD+SLUDGE -18 0.018000000000000002 6.31163708086785 32 eP-BBD+SLUDGE -19 0.019 6.336633663366337 32 eP-BBD+SLUDGE -20 0.02 6.349206349206349 32 eP-BBD+SLUDGE -21 0.021 6.941431670281996 32 eP-BBD+SLUDGE -22 0.022 7.048458149779736 32 eP-BBD+SLUDGE -23 0.023 7.079646017699115 32 eP-BBD+SLUDGE -24 0.024 7.095343680709535 32 eP-BBD+SLUDGE -25 0.025 7.339449541284404 32 eP-BBD+SLUDGE -26 0.026000000000000002 7.390300230946882 32 eP-BBD+SLUDGE -27 0.027 7.390300230946882 32 eP-BBD+SLUDGE -28 0.028 7.4074074074074066 32 eP-BBD+SLUDGE -29 0.029 7.259953161592506 31 eP-BBD+SLUDGE -30 0.03 7.276995305164319 31 eP-BBD+SLUDGE -31 0.031 7.560975609756097 31 eP-BBD+SLUDGE -32 0.032 7.598039215686274 31 eP-BBD+SLUDGE -33 0.033 7.908163265306123 31 eP-BBD+SLUDGE -34 0.034 7.969151670951156 31 eP-BBD+SLUDGE -35 0.035 8.093994778067886 31 eP-BBD+SLUDGE -36 0.036000000000000004 8.355795148247978 31 eP-BBD+SLUDGE -37 0.037 8.355795148247978 31 eP-BBD+SLUDGE -38 0.038 8.401084010840108 31 eP-BBD+SLUDGE -39 0.039 8.401084010840108 31 eP-BBD+SLUDGE -40 0.04 8.446866485013624 31 eP-BBD+SLUDGE -41 0.041 9.33734939759036 31 eP-BBD+SLUDGE -42 0.042 9.422492401215806 31 eP-BBD+SLUDGE -43 0.043000000000000003 9.422492401215806 31 eP-BBD+SLUDGE -44 0.044 9.480122324159021 31 eP-BBD+SLUDGE -45 0.045 9.480122324159021 31 eP-BBD+SLUDGE -46 0.046 9.657320872274143 31 eP-BBD+SLUDGE -47 0.047 9.657320872274143 31 eP-BBD+SLUDGE -48 0.048 9.6875 31 eP-BBD+SLUDGE -49 0.049 9.81012658227848 31 eP-BBD+SLUDGE -50 0.05 9.81012658227848 31 eP-BBD+SLUDGE -51 0.051000000000000004 9.836065573770492 30 eP-BBD+SLUDGE -52 0.052000000000000005 9.868421052631579 30 eP-BBD+SLUDGE -53 0.053 9.900990099009901 30 eP-BBD+SLUDGE -54 0.054 9.900990099009901 30 eP-BBD+SLUDGE -55 0.055 9.900990099009901 30 eP-BBD+SLUDGE -56 0.056 9.900990099009901 30 eP-BBD+SLUDGE -57 0.057 9.731543624161073 29 eP-BBD+SLUDGE -58 0.058 9.764309764309765 29 eP-BBD+SLUDGE -59 0.059000000000000004 9.764309764309765 29 eP-BBD+SLUDGE -60 0.06 9.764309764309765 29 eP-BBD+SLUDGE -61 0.061 10.469314079422382 29 eP-BBD+SLUDGE -62 0.062 10.469314079422382 29 eP-BBD+SLUDGE -63 0.063 10.469314079422382 29 eP-BBD+SLUDGE -64 0.064 10.469314079422382 29 eP-BBD+SLUDGE -65 0.065 10.583941605839415 29 eP-BBD+SLUDGE -66 0.066 10.583941605839415 29 eP-BBD+SLUDGE -67 0.067 10.583941605839415 29 eP-BBD+SLUDGE -68 0.068 10.583941605839415 29 eP-BBD+SLUDGE -69 0.069 10.583941605839415 29 eP-BBD+SLUDGE -70 0.07 10.33210332103321 28 eP-BBD+SLUDGE -71 0.07100000000000001 10.33210332103321 28 eP-BBD+SLUDGE -72 0.07200000000000001 10.526315789473683 28 eP-BBD+SLUDGE -73 0.073 10.646387832699618 28 eP-BBD+SLUDGE -74 0.074 10.646387832699618 28 eP-BBD+SLUDGE -75 0.075 10.646387832699618 28 eP-BBD+SLUDGE -76 0.076 10.687022900763358 28 eP-BBD+SLUDGE -77 0.077 10.687022900763358 28 eP-BBD+SLUDGE -78 0.078 10.687022900763358 28 eP-BBD+SLUDGE -79 0.079 10.687022900763358 28 eP-BBD+SLUDGE -80 0.08 10.687022900763358 28 eP-BBD+SLUDGE -81 0.081 11.38211382113821 28 eP-BBD+SLUDGE -82 0.082 11.428571428571429 28 eP-BBD+SLUDGE -83 0.083 11.428571428571429 28 eP-BBD+SLUDGE -84 0.084 11.428571428571429 28 eP-BBD+SLUDGE -85 0.085 11.11111111111111 27 eP-BBD+SLUDGE -86 0.08600000000000001 11.25 27 eP-BBD+SLUDGE -87 0.08700000000000001 11.297071129707113 27 eP-BBD+SLUDGE -88 0.088 11.297071129707113 27 eP-BBD+SLUDGE -89 0.089 11.297071129707113 27 eP-BBD+SLUDGE -90 0.09 11.297071129707113 27 eP-BBD+SLUDGE -91 0.091 11.587982832618025 27 eP-BBD+SLUDGE -92 0.092 11.587982832618025 27 eP-BBD+SLUDGE -93 0.093 11.587982832618025 27 eP-BBD+SLUDGE -94 0.094 11.587982832618025 27 eP-BBD+SLUDGE -95 0.095 11.587982832618025 27 eP-BBD+SLUDGE -96 0.096 11.587982832618025 27 eP-BBD+SLUDGE -97 0.097 10.91703056768559 25 eP-BBD+SLUDGE -98 0.098 10.91703056768559 25 eP-BBD+SLUDGE -99 0.099 10.91703056768559 25 eP-BBD+SLUDGE -100 0.1 10.91703056768559 25 eP-BBD+SLUDGE -101 0.101 12.0 21 eP-BBD+SLUDGE -102 0.10200000000000001 12.0 21 eP-BBD+SLUDGE -103 0.10300000000000001 12.0 21 eP-BBD+SLUDGE -104 0.10400000000000001 12.0 21 eP-BBD+SLUDGE -105 0.105 12.0 21 eP-BBD+SLUDGE -106 0.106 12.068965517241379 21 eP-BBD+SLUDGE -107 0.107 12.068965517241379 21 eP-BBD+SLUDGE -108 0.108 12.068965517241379 21 eP-BBD+SLUDGE -109 0.109 12.138728323699421 21 eP-BBD+SLUDGE -110 0.11 12.138728323699421 21 eP-BBD+SLUDGE -111 0.111 12.138728323699421 21 eP-BBD+SLUDGE -112 0.112 12.138728323699421 21 eP-BBD+SLUDGE -113 0.113 12.138728323699421 21 eP-BBD+SLUDGE -114 0.114 12.138728323699421 21 eP-BBD+SLUDGE -115 0.115 12.138728323699421 21 eP-BBD+SLUDGE -116 0.116 12.138728323699421 21 eP-BBD+SLUDGE -117 0.117 12.138728323699421 21 eP-BBD+SLUDGE -118 0.11800000000000001 12.138728323699421 21 eP-BBD+SLUDGE -119 0.11900000000000001 12.138728323699421 21 eP-BBD+SLUDGE -120 0.12 12.138728323699421 21 eP-BBD+SLUDGE -121 0.121 10.828025477707007 17 eP-BBD+SLUDGE 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0.14300000000000002 11.486486486486488 17 eP-BBD+SLUDGE -144 0.14400000000000002 11.486486486486488 17 eP-BBD+SLUDGE -145 0.145 11.486486486486488 17 eP-BBD+SLUDGE -146 0.146 11.486486486486488 17 eP-BBD+SLUDGE -147 0.147 11.486486486486488 17 eP-BBD+SLUDGE -148 0.148 11.486486486486488 17 eP-BBD+SLUDGE -149 0.149 11.486486486486488 17 eP-BBD+SLUDGE -150 0.15 11.486486486486488 17 eP-BBD+SLUDGE -151 0.151 11.188811188811188 16 eP-BBD+SLUDGE -152 0.152 11.188811188811188 16 eP-BBD+SLUDGE -153 0.153 11.188811188811188 16 eP-BBD+SLUDGE -154 0.154 11.188811188811188 16 eP-BBD+SLUDGE -155 0.155 11.188811188811188 16 eP-BBD+SLUDGE -156 0.156 11.188811188811188 16 eP-BBD+SLUDGE -157 0.157 11.188811188811188 16 eP-BBD+SLUDGE -158 0.158 11.188811188811188 16 eP-BBD+SLUDGE -159 0.159 11.188811188811188 16 eP-BBD+SLUDGE -160 0.16 11.188811188811188 16 eP-BBD+SLUDGE -161 0.161 11.851851851851853 16 eP-BBD+SLUDGE -162 0.162 11.851851851851853 16 eP-BBD+SLUDGE -163 0.163 11.851851851851853 16 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0.0 0 eP-BBD+SOIL+SLUDGE -735 0.735 0.0 0 eP-BBD+SOIL+SLUDGE -736 0.736 0.0 0 eP-BBD+SOIL+SLUDGE -737 0.737 0.0 0 eP-BBD+SOIL+SLUDGE -738 0.738 0.0 0 eP-BBD+SOIL+SLUDGE -739 0.739 0.0 0 eP-BBD+SOIL+SLUDGE -740 0.74 0.0 0 eP-BBD+SOIL+SLUDGE -741 0.741 0.0 0 eP-BBD+SOIL+SLUDGE -742 0.742 0.0 0 eP-BBD+SOIL+SLUDGE -743 0.743 0.0 0 eP-BBD+SOIL+SLUDGE -744 0.744 0.0 0 eP-BBD+SOIL+SLUDGE -745 0.745 0.0 0 eP-BBD+SOIL+SLUDGE -746 0.746 0.0 0 eP-BBD+SOIL+SLUDGE -747 0.747 0.0 0 eP-BBD+SOIL+SLUDGE -748 0.748 0.0 0 eP-BBD+SOIL+SLUDGE -749 0.749 0.0 0 eP-BBD+SOIL+SLUDGE -750 0.75 0.0 0 eP-BBD+SOIL+SLUDGE -751 0.751 0.0 0 eP-BBD+SOIL+SLUDGE -752 0.752 0.0 0 eP-BBD+SOIL+SLUDGE -753 0.753 0.0 0 eP-BBD+SOIL+SLUDGE -754 0.754 0.0 0 eP-BBD+SOIL+SLUDGE -755 0.755 0.0 0 eP-BBD+SOIL+SLUDGE -756 0.756 0.0 0 eP-BBD+SOIL+SLUDGE -757 0.757 0.0 0 eP-BBD+SOIL+SLUDGE -758 0.758 0.0 0 eP-BBD+SOIL+SLUDGE -759 0.759 0.0 0 eP-BBD+SOIL+SLUDGE -760 0.76 0.0 0 eP-BBD+SOIL+SLUDGE -761 0.761 0.0 0 eP-BBD+SOIL+SLUDGE -762 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-922 0.922 0.0 0 eP-BBD+SOIL+SLUDGE -923 0.923 0.0 0 eP-BBD+SOIL+SLUDGE -924 0.924 0.0 0 eP-BBD+SOIL+SLUDGE -925 0.925 0.0 0 eP-BBD+SOIL+SLUDGE -926 0.926 0.0 0 eP-BBD+SOIL+SLUDGE -927 0.927 0.0 0 eP-BBD+SOIL+SLUDGE -928 0.928 0.0 0 eP-BBD+SOIL+SLUDGE -929 0.929 0.0 0 eP-BBD+SOIL+SLUDGE -930 0.93 0.0 0 eP-BBD+SOIL+SLUDGE -931 0.931 0.0 0 eP-BBD+SOIL+SLUDGE -932 0.932 0.0 0 eP-BBD+SOIL+SLUDGE -933 0.933 0.0 0 eP-BBD+SOIL+SLUDGE -934 0.934 0.0 0 eP-BBD+SOIL+SLUDGE -935 0.935 0.0 0 eP-BBD+SOIL+SLUDGE -936 0.936 0.0 0 eP-BBD+SOIL+SLUDGE -937 0.937 0.0 0 eP-BBD+SOIL+SLUDGE -938 0.9380000000000001 0.0 0 eP-BBD+SOIL+SLUDGE -939 0.9390000000000001 0.0 0 eP-BBD+SOIL+SLUDGE -940 0.9400000000000001 0.0 0 eP-BBD+SOIL+SLUDGE -941 0.9410000000000001 0.0 0 eP-BBD+SOIL+SLUDGE -942 0.9420000000000001 0.0 0 eP-BBD+SOIL+SLUDGE -943 0.9430000000000001 0.0 0 eP-BBD+SOIL+SLUDGE -944 0.9440000000000001 0.0 0 eP-BBD+SOIL+SLUDGE -945 0.9450000000000001 0.0 0 eP-BBD+SOIL+SLUDGE -946 0.9460000000000001 0.0 0 eP-BBD+SOIL+SLUDGE -947 0.9470000000000001 0.0 0 eP-BBD+SOIL+SLUDGE -948 0.9480000000000001 0.0 0 eP-BBD+SOIL+SLUDGE -949 0.9490000000000001 0.0 0 eP-BBD+SOIL+SLUDGE -950 0.9500000000000001 0.0 0 eP-BBD+SOIL+SLUDGE -951 0.9510000000000001 0.0 0 eP-BBD+SOIL+SLUDGE -952 0.9520000000000001 0.0 0 eP-BBD+SOIL+SLUDGE -953 0.9530000000000001 0.0 0 eP-BBD+SOIL+SLUDGE -954 0.9540000000000001 0.0 0 eP-BBD+SOIL+SLUDGE -955 0.9550000000000001 0.0 0 eP-BBD+SOIL+SLUDGE -956 0.9560000000000001 0.0 0 eP-BBD+SOIL+SLUDGE -957 0.9570000000000001 0.0 0 eP-BBD+SOIL+SLUDGE -958 0.9580000000000001 0.0 0 eP-BBD+SOIL+SLUDGE -959 0.9590000000000001 0.0 0 eP-BBD+SOIL+SLUDGE -960 0.96 0.0 0 eP-BBD+SOIL+SLUDGE -961 0.961 0.0 0 eP-BBD+SOIL+SLUDGE -962 0.962 0.0 0 eP-BBD+SOIL+SLUDGE -963 0.963 0.0 0 eP-BBD+SOIL+SLUDGE -964 0.964 0.0 0 eP-BBD+SOIL+SLUDGE -965 0.965 0.0 0 eP-BBD+SOIL+SLUDGE -966 0.966 0.0 0 eP-BBD+SOIL+SLUDGE -967 0.967 0.0 0 eP-BBD+SOIL+SLUDGE -968 0.968 0.0 0 eP-BBD+SOIL+SLUDGE -969 0.969 0.0 0 eP-BBD+SOIL+SLUDGE -970 0.97 0.0 0 eP-BBD+SOIL+SLUDGE -971 0.971 0.0 0 eP-BBD+SOIL+SLUDGE -972 0.972 0.0 0 eP-BBD+SOIL+SLUDGE -973 0.973 0.0 0 eP-BBD+SOIL+SLUDGE -974 0.974 0.0 0 eP-BBD+SOIL+SLUDGE -975 0.975 0.0 0 eP-BBD+SOIL+SLUDGE -976 0.976 0.0 0 eP-BBD+SOIL+SLUDGE -977 0.977 0.0 0 eP-BBD+SOIL+SLUDGE -978 0.978 0.0 0 eP-BBD+SOIL+SLUDGE -979 0.979 0.0 0 eP-BBD+SOIL+SLUDGE -980 0.98 0.0 0 eP-BBD+SOIL+SLUDGE -981 0.981 0.0 0 eP-BBD+SOIL+SLUDGE -982 0.982 0.0 0 eP-BBD+SOIL+SLUDGE -983 0.983 0.0 0 eP-BBD+SOIL+SLUDGE -984 0.984 0.0 0 eP-BBD+SOIL+SLUDGE -985 0.985 0.0 0 eP-BBD+SOIL+SLUDGE -986 0.986 0.0 0 eP-BBD+SOIL+SLUDGE -987 0.987 0.0 0 eP-BBD+SOIL+SLUDGE -988 0.988 0.0 0 eP-BBD+SOIL+SLUDGE -989 0.989 0.0 0 eP-BBD+SOIL+SLUDGE -990 0.99 0.0 0 eP-BBD+SOIL+SLUDGE -991 0.991 0.0 0 eP-BBD+SOIL+SLUDGE -992 0.992 0.0 0 eP-BBD+SOIL+SLUDGE -993 0.993 0.0 0 eP-BBD+SOIL+SLUDGE -994 0.994 0.0 0 eP-BBD+SOIL+SLUDGE -995 0.995 0.0 0 eP-BBD+SOIL+SLUDGE -996 0.996 0.0 0 eP-BBD+SOIL+SLUDGE -997 0.997 0.0 0 eP-BBD+SOIL+SLUDGE -998 0.998 0.0 0 eP-BBD+SOIL+SLUDGE -999 0.999 0.0 0 eP-BBD+SOIL+SLUDGE diff --git a/Additional_analyses/Analyse_cutoff_thresholds/output/Cutoff_thresholds_Probability threshold.txt b/Additional_analyses/Analyse_cutoff_thresholds/output/Cutoff_thresholds_Probability threshold.txt deleted file mode 100644 index 03e96cb..0000000 --- a/Additional_analyses/Analyse_cutoff_thresholds/output/Cutoff_thresholds_Probability threshold.txt +++ /dev/null @@ -1,401 +0,0 @@ - Probability threshold Precision (in %) Correctly predicted TPs Prediction method -0 0.0 2.174877940523746 49 eP-BBD -1 0.01 3.015484922575387 37 eP-BBD -2 0.02 3.015484922575387 37 eP-BBD -3 0.03 3.015484922575387 37 eP-BBD -4 0.04 3.015484922575387 37 eP-BBD -5 0.05 3.015484922575387 37 eP-BBD -6 0.06 3.1066330814441647 37 eP-BBD -7 0.07 3.1066330814441647 37 eP-BBD -8 0.08 3.1066330814441647 37 eP-BBD -9 0.09 3.1066330814441647 37 eP-BBD -10 0.1 3.1066330814441647 37 eP-BBD -11 0.11 3.476245654692932 30 eP-BBD -12 0.12 3.476245654692932 30 eP-BBD -13 0.13 3.476245654692932 30 eP-BBD -14 0.14 3.476245654692932 30 eP-BBD -15 0.15 3.476245654692932 30 eP-BBD -16 0.16 3.597122302158273 30 eP-BBD -17 0.17 3.597122302158273 30 eP-BBD -18 0.18 3.597122302158273 30 eP-BBD -19 0.19 3.597122302158273 30 eP-BBD -20 0.2 3.597122302158273 30 eP-BBD -21 0.21 4.370629370629371 25 eP-BBD -22 0.22 4.370629370629371 25 eP-BBD -23 0.23 4.370629370629371 25 eP-BBD -24 0.24 4.370629370629371 25 eP-BBD -25 0.25 4.370629370629371 25 eP-BBD -26 0.26 4.464285714285714 25 eP-BBD -27 0.27 4.464285714285714 25 eP-BBD -28 0.28 4.464285714285714 25 eP-BBD -29 0.29 4.464285714285714 25 eP-BBD -30 0.3 4.464285714285714 25 eP-BBD -31 0.31 4.822335025380711 19 eP-BBD -32 0.32 4.822335025380711 19 eP-BBD -33 0.33 4.822335025380711 19 eP-BBD -34 0.34 4.822335025380711 19 eP-BBD -35 0.35000000000000003 4.8346055979643765 19 eP-BBD -36 0.36 4.8346055979643765 19 eP-BBD -37 0.37 4.8346055979643765 19 eP-BBD -38 0.38 4.8346055979643765 19 eP-BBD -39 0.39 4.8346055979643765 19 eP-BBD -40 0.4 4.8346055979643765 19 eP-BBD -41 0.41000000000000003 5.147058823529411 14 eP-BBD -42 0.42 5.147058823529411 14 eP-BBD -43 0.43 5.147058823529411 14 eP-BBD -44 0.44 5.147058823529411 14 eP-BBD -45 0.45 5.2434456928838955 14 eP-BBD -46 0.46 5.490196078431373 14 eP-BBD -47 0.47000000000000003 5.490196078431373 14 eP-BBD -48 0.48 5.490196078431373 14 eP-BBD -49 0.49 5.490196078431373 14 eP-BBD -50 0.5 5.490196078431373 14 eP-BBD -51 0.51 6.25 11 eP-BBD -52 0.52 6.25 11 eP-BBD -53 0.53 6.25 11 eP-BBD -54 0.54 6.25 11 eP-BBD -55 0.55 6.25 11 eP-BBD -56 0.56 6.508875739644971 11 eP-BBD -57 0.5700000000000001 6.508875739644971 11 eP-BBD -58 0.58 6.508875739644971 11 eP-BBD -59 0.59 6.508875739644971 11 eP-BBD -60 0.6 6.508875739644971 11 eP-BBD -61 0.61 6.140350877192982 7 eP-BBD -62 0.62 6.140350877192982 7 eP-BBD -63 0.63 6.140350877192982 7 eP-BBD -64 0.64 6.140350877192982 7 eP-BBD -65 0.65 6.1946902654867255 7 eP-BBD -66 0.66 6.1946902654867255 7 eP-BBD -67 0.67 6.1946902654867255 7 eP-BBD -68 0.68 6.1946902654867255 7 eP-BBD -69 0.6900000000000001 6.1946902654867255 7 eP-BBD -70 0.7000000000000001 5.333333333333334 4 eP-BBD -71 0.71 5.333333333333334 4 eP-BBD -72 0.72 5.333333333333334 4 eP-BBD -73 0.73 5.333333333333334 4 eP-BBD -74 0.74 5.333333333333334 4 eP-BBD -75 0.75 5.333333333333334 4 eP-BBD -76 0.76 5.47945205479452 4 eP-BBD -77 0.77 5.47945205479452 4 eP-BBD -78 0.78 5.47945205479452 4 eP-BBD -79 0.79 5.47945205479452 4 eP-BBD -80 0.8 5.47945205479452 4 eP-BBD -81 0.81 4.166666666666666 2 eP-BBD -82 0.8200000000000001 4.166666666666666 2 eP-BBD -83 0.8300000000000001 4.166666666666666 2 eP-BBD -84 0.84 4.166666666666666 2 eP-BBD -85 0.85 4.166666666666666 2 eP-BBD -86 0.86 4.166666666666666 2 eP-BBD -87 0.87 4.166666666666666 2 eP-BBD -88 0.88 4.166666666666666 2 eP-BBD -89 0.89 4.166666666666666 2 eP-BBD -90 0.9 4.166666666666666 2 eP-BBD -91 0.91 3.225806451612903 1 eP-BBD -92 0.92 3.225806451612903 1 eP-BBD -93 0.93 3.225806451612903 1 eP-BBD -94 0.9400000000000001 3.225806451612903 1 eP-BBD -95 0.9500000000000001 3.225806451612903 1 eP-BBD -96 0.96 3.225806451612903 1 eP-BBD -97 0.97 3.225806451612903 1 eP-BBD -98 0.98 3.225806451612903 1 eP-BBD -99 0.99 3.225806451612903 1 eP-BBD -0 0.0 2.396804260985353 54 eP-BBD+SOIL -1 0.01 3.8793103448275863 36 eP-BBD+SOIL -2 0.02 3.8793103448275863 36 eP-BBD+SOIL -3 0.03 3.8793103448275863 36 eP-BBD+SOIL -4 0.04 3.8793103448275863 36 eP-BBD+SOIL -5 0.05 3.8793103448275863 36 eP-BBD+SOIL -6 0.06 3.925845147219193 36 eP-BBD+SOIL -7 0.07 3.925845147219193 36 eP-BBD+SOIL -8 0.08 3.925845147219193 36 eP-BBD+SOIL -9 0.09 3.925845147219193 36 eP-BBD+SOIL -10 0.1 3.925845147219193 36 eP-BBD+SOIL -11 0.11 4.88599348534202 30 eP-BBD+SOIL -12 0.12 4.88599348534202 30 eP-BBD+SOIL -13 0.13 4.88599348534202 30 eP-BBD+SOIL -14 0.14 4.88599348534202 30 eP-BBD+SOIL -15 0.15 4.88599348534202 30 eP-BBD+SOIL -16 0.16 5.042016806722689 30 eP-BBD+SOIL -17 0.17 5.042016806722689 30 eP-BBD+SOIL -18 0.18 5.042016806722689 30 eP-BBD+SOIL -19 0.19 5.042016806722689 30 eP-BBD+SOIL -20 0.2 5.042016806722689 30 eP-BBD+SOIL -21 0.21 5.345911949685535 17 eP-BBD+SOIL -22 0.22 5.345911949685535 17 eP-BBD+SOIL -23 0.23 5.345911949685535 17 eP-BBD+SOIL -24 0.24 5.345911949685535 17 eP-BBD+SOIL -25 0.25 5.345911949685535 17 eP-BBD+SOIL -26 0.26 5.592105263157895 17 eP-BBD+SOIL -27 0.27 5.592105263157895 17 eP-BBD+SOIL -28 0.28 5.592105263157895 17 eP-BBD+SOIL -29 0.29 5.592105263157895 17 eP-BBD+SOIL -30 0.3 5.592105263157895 17 eP-BBD+SOIL -31 0.31 6.392694063926941 14 eP-BBD+SOIL -32 0.32 6.392694063926941 14 eP-BBD+SOIL -33 0.33 6.392694063926941 14 eP-BBD+SOIL -34 0.34 6.392694063926941 14 eP-BBD+SOIL -35 0.35000000000000003 6.451612903225806 14 eP-BBD+SOIL -36 0.36 6.451612903225806 14 eP-BBD+SOIL -37 0.37 6.451612903225806 14 eP-BBD+SOIL -38 0.38 6.451612903225806 14 eP-BBD+SOIL -39 0.39 6.451612903225806 14 eP-BBD+SOIL -40 0.4 6.451612903225806 14 eP-BBD+SOIL -41 0.41000000000000003 8.21917808219178 12 eP-BBD+SOIL -42 0.42 8.21917808219178 12 eP-BBD+SOIL -43 0.43 8.21917808219178 12 eP-BBD+SOIL -44 0.44 8.21917808219178 12 eP-BBD+SOIL -45 0.45 8.275862068965518 12 eP-BBD+SOIL -46 0.46 8.333333333333332 12 eP-BBD+SOIL -47 0.47000000000000003 8.333333333333332 12 eP-BBD+SOIL -48 0.48 8.333333333333332 12 eP-BBD+SOIL -49 0.49 8.333333333333332 12 eP-BBD+SOIL -50 0.5 8.333333333333332 12 eP-BBD+SOIL -51 0.51 7.964601769911504 9 eP-BBD+SOIL -52 0.52 7.964601769911504 9 eP-BBD+SOIL -53 0.53 7.964601769911504 9 eP-BBD+SOIL -54 0.54 7.964601769911504 9 eP-BBD+SOIL -55 0.55 7.964601769911504 9 eP-BBD+SOIL -56 0.56 7.964601769911504 9 eP-BBD+SOIL -57 0.5700000000000001 7.964601769911504 9 eP-BBD+SOIL -58 0.58 7.964601769911504 9 eP-BBD+SOIL -59 0.59 7.964601769911504 9 eP-BBD+SOIL -60 0.6 7.964601769911504 9 eP-BBD+SOIL -61 0.61 8.235294117647058 7 eP-BBD+SOIL -62 0.62 8.235294117647058 7 eP-BBD+SOIL -63 0.63 8.235294117647058 7 eP-BBD+SOIL -64 0.64 8.235294117647058 7 eP-BBD+SOIL -65 0.65 8.235294117647058 7 eP-BBD+SOIL -66 0.66 8.235294117647058 7 eP-BBD+SOIL -67 0.67 8.235294117647058 7 eP-BBD+SOIL -68 0.68 8.235294117647058 7 eP-BBD+SOIL -69 0.6900000000000001 8.235294117647058 7 eP-BBD+SOIL -70 0.7000000000000001 3.7037037037037033 2 eP-BBD+SOIL -71 0.71 3.7037037037037033 2 eP-BBD+SOIL -72 0.72 3.7037037037037033 2 eP-BBD+SOIL -73 0.73 3.7037037037037033 2 eP-BBD+SOIL -74 0.74 3.7037037037037033 2 eP-BBD+SOIL -75 0.75 3.7037037037037033 2 eP-BBD+SOIL -76 0.76 3.7037037037037033 2 eP-BBD+SOIL -77 0.77 3.7037037037037033 2 eP-BBD+SOIL -78 0.78 3.7037037037037033 2 eP-BBD+SOIL -79 0.79 3.7037037037037033 2 eP-BBD+SOIL -80 0.8 3.7037037037037033 2 eP-BBD+SOIL -81 0.81 16.666666666666664 2 eP-BBD+SOIL -82 0.8200000000000001 16.666666666666664 2 eP-BBD+SOIL -83 0.8300000000000001 16.666666666666664 2 eP-BBD+SOIL -84 0.84 16.666666666666664 2 eP-BBD+SOIL -85 0.85 16.666666666666664 2 eP-BBD+SOIL -86 0.86 16.666666666666664 2 eP-BBD+SOIL -87 0.87 16.666666666666664 2 eP-BBD+SOIL -88 0.88 16.666666666666664 2 eP-BBD+SOIL -89 0.89 16.666666666666664 2 eP-BBD+SOIL -90 0.9 16.666666666666664 2 eP-BBD+SOIL -91 0.91 0.0 0 eP-BBD+SOIL -92 0.92 0.0 0 eP-BBD+SOIL -93 0.93 0.0 0 eP-BBD+SOIL -94 0.9400000000000001 0.0 0 eP-BBD+SOIL -95 0.9500000000000001 0.0 0 eP-BBD+SOIL -96 0.96 0.0 0 eP-BBD+SOIL -97 0.97 0.0 0 eP-BBD+SOIL -98 0.98 0.0 0 eP-BBD+SOIL -99 0.99 0.0 0 eP-BBD+SOIL -0 0.0 2.263648468708389 51 eP-BBD+SLUDGE -1 0.01 3.7647058823529407 32 eP-BBD+SLUDGE -2 0.02 3.7647058823529407 32 eP-BBD+SLUDGE -3 0.03 3.7647058823529407 32 eP-BBD+SLUDGE -4 0.04 3.7647058823529407 32 eP-BBD+SLUDGE -5 0.05 3.7647058823529407 32 eP-BBD+SLUDGE -6 0.06 3.945745992601726 32 eP-BBD+SLUDGE -7 0.07 3.945745992601726 32 eP-BBD+SLUDGE -8 0.08 3.945745992601726 32 eP-BBD+SLUDGE -9 0.09 3.945745992601726 32 eP-BBD+SLUDGE -10 0.1 3.945745992601726 32 eP-BBD+SLUDGE -11 0.11 5.137614678899083 28 eP-BBD+SLUDGE -12 0.12 5.137614678899083 28 eP-BBD+SLUDGE -13 0.13 5.137614678899083 28 eP-BBD+SLUDGE -14 0.14 5.137614678899083 28 eP-BBD+SLUDGE -15 0.15 5.137614678899083 28 eP-BBD+SLUDGE -16 0.16 5.009276437847866 27 eP-BBD+SLUDGE -17 0.17 5.009276437847866 27 eP-BBD+SLUDGE -18 0.18 5.009276437847866 27 eP-BBD+SLUDGE -19 0.19 5.009276437847866 27 eP-BBD+SLUDGE -20 0.2 5.009276437847866 27 eP-BBD+SLUDGE -21 0.21 5.612244897959184 22 eP-BBD+SLUDGE -22 0.22 5.612244897959184 22 eP-BBD+SLUDGE -23 0.23 5.612244897959184 22 eP-BBD+SLUDGE -24 0.24 5.612244897959184 22 eP-BBD+SLUDGE -25 0.25 5.612244897959184 22 eP-BBD+SLUDGE -26 0.26 5.426356589147287 21 eP-BBD+SLUDGE -27 0.27 5.426356589147287 21 eP-BBD+SLUDGE -28 0.28 5.426356589147287 21 eP-BBD+SLUDGE -29 0.29 5.426356589147287 21 eP-BBD+SLUDGE -30 0.3 5.426356589147287 21 eP-BBD+SLUDGE -31 0.31 6.643356643356643 19 eP-BBD+SLUDGE -32 0.32 6.643356643356643 19 eP-BBD+SLUDGE -33 0.33 6.643356643356643 19 eP-BBD+SLUDGE -34 0.34 6.643356643356643 19 eP-BBD+SLUDGE -35 0.35000000000000003 6.859205776173286 19 eP-BBD+SLUDGE -36 0.36 6.859205776173286 19 eP-BBD+SLUDGE -37 0.37 6.859205776173286 19 eP-BBD+SLUDGE -38 0.38 6.859205776173286 19 eP-BBD+SLUDGE -39 0.39 6.859205776173286 19 eP-BBD+SLUDGE -40 0.4 6.859205776173286 19 eP-BBD+SLUDGE -41 0.41000000000000003 6.829268292682928 14 eP-BBD+SLUDGE -42 0.42 6.829268292682928 14 eP-BBD+SLUDGE -43 0.43 6.829268292682928 14 eP-BBD+SLUDGE -44 0.44 6.829268292682928 14 eP-BBD+SLUDGE -45 0.45 6.862745098039216 14 eP-BBD+SLUDGE -46 0.46 7.000000000000001 14 eP-BBD+SLUDGE -47 0.47000000000000003 7.000000000000001 14 eP-BBD+SLUDGE -48 0.48 7.000000000000001 14 eP-BBD+SLUDGE -49 0.49 7.000000000000001 14 eP-BBD+SLUDGE -50 0.5 7.000000000000001 14 eP-BBD+SLUDGE -51 0.51 7.6923076923076925 12 eP-BBD+SLUDGE -52 0.52 7.6923076923076925 12 eP-BBD+SLUDGE -53 0.53 7.6923076923076925 12 eP-BBD+SLUDGE -54 0.54 7.6923076923076925 12 eP-BBD+SLUDGE -55 0.55 7.6923076923076925 12 eP-BBD+SLUDGE -56 0.56 7.6923076923076925 12 eP-BBD+SLUDGE -57 0.5700000000000001 7.6923076923076925 12 eP-BBD+SLUDGE -58 0.58 7.6923076923076925 12 eP-BBD+SLUDGE -59 0.59 7.6923076923076925 12 eP-BBD+SLUDGE -60 0.6 7.6923076923076925 12 eP-BBD+SLUDGE -61 0.61 8.421052631578947 8 eP-BBD+SLUDGE -62 0.62 8.421052631578947 8 eP-BBD+SLUDGE -63 0.63 8.421052631578947 8 eP-BBD+SLUDGE -64 0.64 8.421052631578947 8 eP-BBD+SLUDGE -65 0.65 8.51063829787234 8 eP-BBD+SLUDGE -66 0.66 8.51063829787234 8 eP-BBD+SLUDGE -67 0.67 8.51063829787234 8 eP-BBD+SLUDGE -68 0.68 8.51063829787234 8 eP-BBD+SLUDGE -69 0.6900000000000001 8.51063829787234 8 eP-BBD+SLUDGE -70 0.7000000000000001 7.575757575757576 5 eP-BBD+SLUDGE -71 0.71 7.575757575757576 5 eP-BBD+SLUDGE -72 0.72 7.575757575757576 5 eP-BBD+SLUDGE -73 0.73 7.575757575757576 5 eP-BBD+SLUDGE -74 0.74 7.575757575757576 5 eP-BBD+SLUDGE -75 0.75 7.575757575757576 5 eP-BBD+SLUDGE -76 0.76 7.575757575757576 5 eP-BBD+SLUDGE -77 0.77 7.575757575757576 5 eP-BBD+SLUDGE -78 0.78 7.575757575757576 5 eP-BBD+SLUDGE -79 0.79 7.575757575757576 5 eP-BBD+SLUDGE -80 0.8 7.575757575757576 5 eP-BBD+SLUDGE -81 0.81 4.651162790697675 2 eP-BBD+SLUDGE -82 0.8200000000000001 4.651162790697675 2 eP-BBD+SLUDGE -83 0.8300000000000001 4.651162790697675 2 eP-BBD+SLUDGE -84 0.84 4.651162790697675 2 eP-BBD+SLUDGE -85 0.85 4.651162790697675 2 eP-BBD+SLUDGE -86 0.86 2.564102564102564 1 eP-BBD+SLUDGE -87 0.87 2.564102564102564 1 eP-BBD+SLUDGE -88 0.88 2.564102564102564 1 eP-BBD+SLUDGE -89 0.89 2.564102564102564 1 eP-BBD+SLUDGE -90 0.9 2.564102564102564 1 eP-BBD+SLUDGE -91 0.91 4.166666666666666 1 eP-BBD+SLUDGE -92 0.92 4.166666666666666 1 eP-BBD+SLUDGE -93 0.93 4.166666666666666 1 eP-BBD+SLUDGE -94 0.9400000000000001 4.166666666666666 1 eP-BBD+SLUDGE -95 0.9500000000000001 4.166666666666666 1 eP-BBD+SLUDGE -96 0.96 4.166666666666666 1 eP-BBD+SLUDGE -97 0.97 4.166666666666666 1 eP-BBD+SLUDGE -98 0.98 4.166666666666666 1 eP-BBD+SLUDGE -99 0.99 4.166666666666666 1 eP-BBD+SLUDGE -0 0.0 2.263648468708389 51 eP-BBD+SOIL+SLUDGE -1 0.01 3.928170594837262 35 eP-BBD+SOIL+SLUDGE -2 0.02 3.928170594837262 35 eP-BBD+SOIL+SLUDGE -3 0.03 3.928170594837262 35 eP-BBD+SOIL+SLUDGE -4 0.04 3.928170594837262 35 eP-BBD+SOIL+SLUDGE -5 0.05 3.928170594837262 35 eP-BBD+SOIL+SLUDGE -6 0.06 3.977272727272727 35 eP-BBD+SOIL+SLUDGE -7 0.07 3.977272727272727 35 eP-BBD+SOIL+SLUDGE -8 0.08 3.977272727272727 35 eP-BBD+SOIL+SLUDGE -9 0.09 3.977272727272727 35 eP-BBD+SOIL+SLUDGE -10 0.1 3.977272727272727 35 eP-BBD+SOIL+SLUDGE -11 0.11 4.241435562805873 26 eP-BBD+SOIL+SLUDGE -12 0.12 4.241435562805873 26 eP-BBD+SOIL+SLUDGE -13 0.13 4.241435562805873 26 eP-BBD+SOIL+SLUDGE -14 0.14 4.241435562805873 26 eP-BBD+SOIL+SLUDGE -15 0.15 4.241435562805873 26 eP-BBD+SOIL+SLUDGE -16 0.16 4.3844856661045535 26 eP-BBD+SOIL+SLUDGE -17 0.17 4.3844856661045535 26 eP-BBD+SOIL+SLUDGE -18 0.18 4.3844856661045535 26 eP-BBD+SOIL+SLUDGE -19 0.19 4.3844856661045535 26 eP-BBD+SOIL+SLUDGE -20 0.2 4.3844856661045535 26 eP-BBD+SOIL+SLUDGE -21 0.21 6.631299734748011 25 eP-BBD+SOIL+SLUDGE -22 0.22 6.631299734748011 25 eP-BBD+SOIL+SLUDGE -23 0.23 6.631299734748011 25 eP-BBD+SOIL+SLUDGE -24 0.24 6.631299734748011 25 eP-BBD+SOIL+SLUDGE -25 0.25 6.631299734748011 25 eP-BBD+SOIL+SLUDGE -26 0.26 6.702412868632708 25 eP-BBD+SOIL+SLUDGE -27 0.27 6.702412868632708 25 eP-BBD+SOIL+SLUDGE -28 0.28 6.702412868632708 25 eP-BBD+SOIL+SLUDGE -29 0.29 6.702412868632708 25 eP-BBD+SOIL+SLUDGE -30 0.3 6.702412868632708 25 eP-BBD+SOIL+SLUDGE -31 0.31 8.29875518672199 20 eP-BBD+SOIL+SLUDGE -32 0.32 8.29875518672199 20 eP-BBD+SOIL+SLUDGE -33 0.33 8.29875518672199 20 eP-BBD+SOIL+SLUDGE -34 0.34 8.29875518672199 20 eP-BBD+SOIL+SLUDGE -35 0.35000000000000003 8.333333333333332 20 eP-BBD+SOIL+SLUDGE -36 0.36 8.333333333333332 20 eP-BBD+SOIL+SLUDGE -37 0.37 8.333333333333332 20 eP-BBD+SOIL+SLUDGE -38 0.38 8.333333333333332 20 eP-BBD+SOIL+SLUDGE -39 0.39 8.333333333333332 20 eP-BBD+SOIL+SLUDGE -40 0.4 8.333333333333332 20 eP-BBD+SOIL+SLUDGE -41 0.41000000000000003 12.0 15 eP-BBD+SOIL+SLUDGE -42 0.42 12.0 15 eP-BBD+SOIL+SLUDGE -43 0.43 12.0 15 eP-BBD+SOIL+SLUDGE -44 0.44 12.0 15 eP-BBD+SOIL+SLUDGE -45 0.45 12.0 15 eP-BBD+SOIL+SLUDGE -46 0.46 12.0 15 eP-BBD+SOIL+SLUDGE -47 0.47000000000000003 12.0 15 eP-BBD+SOIL+SLUDGE -48 0.48 12.0 15 eP-BBD+SOIL+SLUDGE -49 0.49 12.0 15 eP-BBD+SOIL+SLUDGE -50 0.5 12.0 15 eP-BBD+SOIL+SLUDGE -51 0.51 8.974358974358974 7 eP-BBD+SOIL+SLUDGE -52 0.52 8.974358974358974 7 eP-BBD+SOIL+SLUDGE -53 0.53 8.974358974358974 7 eP-BBD+SOIL+SLUDGE -54 0.54 8.974358974358974 7 eP-BBD+SOIL+SLUDGE -55 0.55 8.974358974358974 7 eP-BBD+SOIL+SLUDGE -56 0.56 8.974358974358974 7 eP-BBD+SOIL+SLUDGE -57 0.5700000000000001 8.974358974358974 7 eP-BBD+SOIL+SLUDGE -58 0.58 8.974358974358974 7 eP-BBD+SOIL+SLUDGE -59 0.59 8.974358974358974 7 eP-BBD+SOIL+SLUDGE -60 0.6 8.974358974358974 7 eP-BBD+SOIL+SLUDGE -61 0.61 3.8461538461538463 2 eP-BBD+SOIL+SLUDGE -62 0.62 3.8461538461538463 2 eP-BBD+SOIL+SLUDGE -63 0.63 3.8461538461538463 2 eP-BBD+SOIL+SLUDGE -64 0.64 3.8461538461538463 2 eP-BBD+SOIL+SLUDGE -65 0.65 3.8461538461538463 2 eP-BBD+SOIL+SLUDGE -66 0.66 4.444444444444445 2 eP-BBD+SOIL+SLUDGE -67 0.67 4.444444444444445 2 eP-BBD+SOIL+SLUDGE -68 0.68 4.444444444444445 2 eP-BBD+SOIL+SLUDGE -69 0.6900000000000001 4.444444444444445 2 eP-BBD+SOIL+SLUDGE -70 0.7000000000000001 3.225806451612903 1 eP-BBD+SOIL+SLUDGE -71 0.71 3.225806451612903 1 eP-BBD+SOIL+SLUDGE -72 0.72 3.225806451612903 1 eP-BBD+SOIL+SLUDGE -73 0.73 3.225806451612903 1 eP-BBD+SOIL+SLUDGE -74 0.74 3.225806451612903 1 eP-BBD+SOIL+SLUDGE -75 0.75 3.225806451612903 1 eP-BBD+SOIL+SLUDGE -76 0.76 3.225806451612903 1 eP-BBD+SOIL+SLUDGE -77 0.77 3.225806451612903 1 eP-BBD+SOIL+SLUDGE -78 0.78 3.225806451612903 1 eP-BBD+SOIL+SLUDGE -79 0.79 3.225806451612903 1 eP-BBD+SOIL+SLUDGE -80 0.8 3.225806451612903 1 eP-BBD+SOIL+SLUDGE -81 0.81 0.0 0 eP-BBD+SOIL+SLUDGE -82 0.8200000000000001 0.0 0 eP-BBD+SOIL+SLUDGE -83 0.8300000000000001 0.0 0 eP-BBD+SOIL+SLUDGE -84 0.84 0.0 0 eP-BBD+SOIL+SLUDGE -85 0.85 0.0 0 eP-BBD+SOIL+SLUDGE -86 0.86 0.0 0 eP-BBD+SOIL+SLUDGE -87 0.87 0.0 0 eP-BBD+SOIL+SLUDGE -88 0.88 0.0 0 eP-BBD+SOIL+SLUDGE -89 0.89 0.0 0 eP-BBD+SOIL+SLUDGE -90 0.9 0.0 0 eP-BBD+SOIL+SLUDGE -91 0.91 0.0 0 eP-BBD+SOIL+SLUDGE -92 0.92 0.0 0 eP-BBD+SOIL+SLUDGE -93 0.93 0.0 0 eP-BBD+SOIL+SLUDGE -94 0.9400000000000001 0.0 0 eP-BBD+SOIL+SLUDGE -95 0.9500000000000001 0.0 0 eP-BBD+SOIL+SLUDGE -96 0.96 0.0 0 eP-BBD+SOIL+SLUDGE -97 0.97 0.0 0 eP-BBD+SOIL+SLUDGE -98 0.98 0.0 0 eP-BBD+SOIL+SLUDGE -99 0.99 0.0 0 eP-BBD+SOIL+SLUDGE diff --git a/Additional_analyses/Compare_methods/README.md b/Additional_analyses/Compare_methods/README.md new file mode 100644 index 0000000..71c63b0 --- /dev/null +++ b/Additional_analyses/Compare_methods/README.md @@ -0,0 +1,24 @@ +# Compare performance of TP prediction models + +## Purpose +Compares predictions from EAWAG/BBD-PPS and enviPath with found transformation products (TPs) and calculates precision for each method. +The script uses the output of the script "get_mass_list_from_prediction.py" + +## Input +The script uses 2 input files: + o txt file with one SMILES per line of TPs that were found experimentally + o pickle file of combined dictionary with all predictions made by different methods + +## Output +The script outputs four files containing information of number of TPs predicted and found. + +## Note +The csv and tsv files can be opened in Microsoft Excel and brought to a more readable format. + +## Run script in Spyder +7. open the script: "compare_methods_pps.py" +8. change the pathway of the input files according to the filepath on your harddrive +9. click somewhere in the left window and press F5 or click "Run File", if Run settings windows appears, click run +10. wait for the script to finish running (you can see the progress in the bottom right window, "Script finished successfully" marks end of script) + +Author: Leo Trostel, 2022 diff --git a/Additional_analyses/Compare_methods/README.txt b/Additional_analyses/Compare_methods/README.txt deleted file mode 100644 index 3dfe5a1..0000000 --- a/Additional_analyses/Compare_methods/README.txt +++ /dev/null @@ -1,35 +0,0 @@ -Created by Leo Trostel on 15.09.2022 - -This is a READme file for "compare_methods_pps.py" - -Purpose: -Compares predictions from EAWAG/BBD-PPS and enviPath with found transformation products (TPs) and calculates precision for each method. -The script uses the output of the script "get_mass_list_from_prediction.py" - -Input: -The script uses 2 input files: - o txt file with one SMILES per line of TPs that were found experimentally - o pickle file of combined dictionary with all predictions made by different methods - -Output: -The script outputs four files containing information of number of TPs predicted and found. - -Note: -The csv and tsv files can be opened in Microsoft Excel and brought to a more readable format. - -Step by step guide for non-python users: -1. download Anaconda (link: https://docs.anaconda.com/anaconda/install/index.html) and install it, then run Anaconda Navigator -2. create new environment under the environment tab, select python version 3.6.13 -3. you need to install some python packages for this script to work: - 3.1. go to environments, click "play button" on newly created environment, open Terminal - 3.2. run following lines individually (need to confirm: type "y" and press enter)(might take a while): - conda install -c rdkit rdkit - 3.3. check if pandas is installed and active according to: https://docs.anaconda.com/anaconda/navigator/tutorials/pandas/ -4. open anaconda navigator, go to home tab, check if "Applications on" is set to the new environment -5. click gear icon on "Spyder" > install specific version > 5.0.5 and wait for installation to finish -6. click launch button below "Spyder" -7. open the script: "compare_methods_pps.py" -8. change the pathway of the input files according to the filepath on your harddrive -9. click somewhere in the left window and press F5 or click "Run File", if Run settings windows appears, click run -10. wait for the script to finish running (you can see the progress in the bottom right window, "Script finished successfully" marks end of script) - diff --git a/File_conversion/Prediction_output_to_mass_list/README.md b/File_conversion/Prediction_output_to_mass_list/README.md index 2de591b..7486dd5 100644 --- a/File_conversion/Prediction_output_to_mass_list/README.md +++ b/File_conversion/Prediction_output_to_mass_list/README.md @@ -1,57 +1,48 @@ # Generate Mass and Inclusion Lists from Prediction Output ## Purpose The purpose of the script is to generate a mass lists, which can be imported into `Compound Discoverer` from multiple `find_best_TP.py` outputs. Further, the script combines the data of all methods and can select transformation products (TP) based on a scoring system. It also creates inclusion lists for positive and negative mode with predicted NCE for the use on a QExactivePlus. The script uses the `PubChem` database and for every compound a request is sent, thus the code can run for some time. ## Input The scripts needs at least 1 input file, but it supports up to 8 files. The input file(s) consist of the tsv results from `find_best_TP.py`. The filepaths need to be changed at the start of the script. The prediction method (enter `EAWAG-PPS` or `envipath`) and package (do not use `.` or `/`) for each file needs to be specified in the script. Additionally, each optinal file can be considered in the processing (enter "yes") or not. Moreover, 3 txt files for mapping are required: `SMILES_selected_comp.txt` contains the SMILES of the selected parent compounds `name_subst.txt` contains the full names of the parents `code_subst.txt` contains the short code of the parents (exp. first 3 letters of name) Each txt files contains one string per line and the order needs to be matched over the three txt files, so each line of the txt files corresponds to one parent. These txt files can be easily created by copying from a Excel Worksheet and pasting into a new txt file. ## Scoring System Can be turned on (`True`) or off (`False`). A maximal number of allowed TPs per parent can be set as a variable. The scoring system removes all TPs, which have a mass below 100 u. The score is lowered if the TPs has a CAS number, has a low probability or is not predicted by all methods. If a parent has more than the specified maximal allowed TPs per parent, they get removed starting with lowest score. ## Output The script generates a multitude of output files. Most of them are pickle files, which contain all the data from a given dictionary. These can be copied and moved to a different location to run just one part of the code or to save on code running time. Each of the input files get an individual csv file that can be imported into `Compound Discoverer`. If more than two input files are processed, 3 csv files are created from the combination of all methods. 2 contain all the data about the parents and TPs before and after the scoring, which is meant to be an overview. The last one contains only the most important combined data with SMILES, Name, CAS, Formula, monoisotopic mass and InchiKey, which can be imported into `Compound Discoverer` as a mass list. Additionally, two inclusion lists as well as a txt file is created containing the maximal element count of C, H, O, N, S, P, Cl, Br an I (useful for `Compound Discoverer` workflow). The output paths set per default to an output folder that is in the same folder as the script. -## Installation - -Step by step guide for non-python users: - -1. [Download Anaconda](https://docs.anaconda.com/anaconda/install/index.html) and install it, then run `Anaconda Navigator` -2. create new environment under the `Environment` tab, select python version 3.6.13 -3. go to environments, click `play button` on newly created environment, open Terminal -4. run following lines individually (need to confirm: type `y` and press `enter`)(might take a while): `conda install -c rdkit rdkit` and `pip install pubchempy` -5. check if pandas is installed and active according to [this Tutorial](https://docs.anaconda.com/anaconda/navigator/tutorials/pandas/) -6. open `Anaconda Navigator`, go to `Home` tab, check if `Applications on` is set to the new environment -7. click `gear icon` on `Spyder` > install specific version > 5.0.5 and wait for installation to finish -8. click `launch button` below `Spyder` -9. open the script: `get_mass_list_from_prediction.py` -10. change the pathway of the input files according to the filepath on your harddrive and turn Scoring System on or off. -11. click somewhere in the left window and press `F5` or click `Run File`, if Run settings windows appears, click `Run` -12. wait for the script to finish running (may take a while, `Script finished successfully` marks end of script) +## Run script in Spyder +1. open the script: `get_mass_list_from_prediction.py` +2. change the pathway of the input files according to the filepath on your harddrive and turn Scoring System on or off. +3. click somewhere in the left window and press `F5` or click `Run File`, if Run settings windows appears, click `Run` +4. wait for the script to finish running (may take a while, `Script finished successfully` marks end of script) + +Author: Leo Trostel, 2022 \ No newline at end of file diff --git a/File_conversion/SMILES_to_mass_and_inclusion_list/README.md b/File_conversion/SMILES_to_mass_and_inclusion_list/README.md index ec58ed2..9cf66d0 100644 --- a/File_conversion/SMILES_to_mass_and_inclusion_list/README.md +++ b/File_conversion/SMILES_to_mass_and_inclusion_list/README.md @@ -1,35 +1,26 @@ # Generate Mass and Inclusion Lists ## Purpose The purpose of the script is to generate a mass lists, which can be imported into `Compound Discoverer`. It also creates inclusion lists for positive and negative mode with predicted NCE for the use on a QExactivePlus. The script uses the `PubChem` database and for every compound a request is sent, thus the code can run for some time. ## Input The scripts needs one txt file as input that contains the SMILES of compounds (one string per line). ## Output Mass and two inclusion lists as well as an overview with SMILES, Name, CAS, Formula, monoisotopic mass and InchiKey as csv file. Additionally, a txt file is created containing the maximal element count of C, H, O, N, S, P, Cl, Br an I (useful for `Compound Discoverer` workflow). The output paths are per default the same folder as the script. -## Installation - -Step by step guide for non-python users: - -1. [Download Anaconda](https://docs.anaconda.com/anaconda/install/index.html) and install it, then run `Anaconda Navigator` -2. create new environment under the `Environment` tab, select python version 3.6.13 -3. go to environments, click `play button` on newly created environment, open Terminal -4. run following lines individually (need to confirm: type `y` and press `enter`)(might take a while): `conda install -c rdkit rdkit` and `pip install pubchempy` -5. check if pandas is installed and active according to [this Tutorial](https://docs.anaconda.com/anaconda/navigator/tutorials/pandas/) -6. open `Anaconda Navigator`, go to `Home` tab, check if `Applications on` is set to the new environment -7. click `gear icon` on `Spyder` > install specific version > 5.0.5 and wait for installation to finish -8. click `launch button` below `Spyder` -9. open the script: `smiles_to_mass_and_inclusion_list.py` -10. change the pathway of the input files according to the filepath on your harddrive -11. click somewhere in the left window and press `F5` or click `Run File`, if Run settings windows appears, click `Run` -12. wait for the script to finish running (may take a while, `Script finished successfully` marks end of script) +## Run script in Spyder +1. open the script: `smiles_to_mass_and_inclusion_list.py` +2. change the pathway of the input files according to the filepath on your harddrive +3. click somewhere in the left window and press `F5` or click `Run File`, if Run settings windows appears, click `Run` +4. wait for the script to finish running (may take a while, `Script finished successfully` marks end of script) + +Author: Leo Trostel, 2022 \ No newline at end of file diff --git a/TP_prediction/README.md b/TP_prediction/README.md index cf7a9e4..9c8840d 100644 --- a/TP_prediction/README.md +++ b/TP_prediction/README.md @@ -1,54 +1,56 @@ -## TP_prediction - Predict Transformation Products (TPs) +# TP_prediction - Predict Transformation Products (TPs) TP_prediction predicts TPs and associated biodegradation pathways using the enviPath pathway prediction engine. To run the script and to save the output of your TP prediction on enviPath, you need a user account on envipath.org. -### Input +## Input Add yor input compounds to ./input/input_structures.tsv. The input format should be the smiles of the compound, followed by its name (or identifier), and separated by a tab. -### Mandatory settings +## Mandatory settings * **USERNAME**: Enter here the username of your enviPath account. * **EP_PACKAGE_ID**: Create a new package for your results on envipath.org and enter its URI here. -### Optional settings +## Optional settings By default, the search will predict the 50 TPs with the highest probability to be observed according to the relative reasoning model You can adapt settings under PATHWAY SEARCH SETTINGS in find_best_TPs.py: * **EP_MODEL_ID**: URI of enviPath relative reasoning model to be used for prediction * **MAX_TP**: Maximum number of TPs to predict per input compound * **PROBABILITY_THRESHOLD**: Lower probability threshold - any value equal to or lower than the threshold will be excluded * **INCLUDE_0_PROBABILITIES**: Set probabilities of 0 to 0.01 to continue having a weighting scheme downstream of the pathway * **MOIETY**: Follow a chemical moiety - only compounds containing this moiety in SMILES will be expanded, e.g., "C(F)(F)F" * **SORT_TPS_BY_SIZE**: To prioritize small compounds in the node queue * **FOLLOW_LABELED_ATOM**: Follow labeled atoms - only compounds containing at least one atom labeled with ATOM_LABEL will be expanded * **ATOM_LABEL**: Label used to follow atoms, e.g., 14 for radiolabeled carbon Output settings * **INPUT_FILE_PATH**: path to input file * **OUTPUT_DIRECTORY**: path to output directory * **OUTPUT_FILE_TAG**: Name tag to be added to your output files -### Run prediction +## Run prediction To predict pathways for all compounds specified in the input, run: ``` $ python find_best_TPs.py ``` -### Output +## Output The output file containing all predicted pathways and TP information will be stored in ./output. Each pathway entry starts with '///', followed by the name of the pathway and the link to the pathway entry on envipath.org. Each pathway entry is followed by a tab-separated table containing the following information: * **SMILES**: SMILES of TP * **name**: Name of TP (automatically generated) * **combined_probability**: probability of the node (p_node = p_edge * p_node,parent) * **rules**: List of biotransformation rules used to predict this reaction * **generation**: number of iteration where TP was generated * **probability**: probability of the reaction from the parent to this TP (p_edge) * **parent**: SMILES of parent compound The output of the TP prediction can be directly used as input for -* File_conversion/Prediction_output_to_mass_list/get_mass_list_from_prediction.py -* Additional_analyses/Analyse_cutooff_thresholds.py \ No newline at end of file +* `File_conversion/Prediction_output_to_mass_list/get_mass_list_from_prediction.py` +* `Additional_analyses/Analyse_cutoff_thresholds.py` + +Author: Jasmin Hafner, 2022 \ No newline at end of file diff --git a/readme.md b/readme.md index 837ff3a..dbc65eb 100644 --- a/readme.md +++ b/readme.md @@ -1,31 +1,46 @@ # TP_predict - Predict TPs and create suspect lists This collection of scripts allows the user to reproduce the TP prediction and data analyses presented in the following publication: Trostel, L. & Coll, C., Fenner, K., Hafner, J. Synergy of predictive and analytical methods advances elucidating biotransformation processes in activated sludge, 2023. [insert DOI] The tools can further be used to perform the same predictions and analyses on a different set of compounds. ## Content * **TP_prediction**: Script to predict TPs and corresponding biodegradation pathways * **File_conversion**: Conversion of prediction output to input for suspect screening tools * Prediction_output_to_mass_list * SMILES_to_mass_and_inclusion_list * **Additional_analyses** * Compare_methods * Analyse_cutoff_thresholds Specific user guidance can be found in the README.md files of the content folders. ## How to To fetch the code from the git repository, open a terminal and run: ``` $ git clone [insert link] ``` To install the dependencies, go to the nicepath directory and run: ``` $ cd TP_predict $ make ``` + +## Installation and requirements +The scripts requires rdkit for python, which is easiest installed in a conda environment. +All scripts have been developed and tested on Python 3.6 and higher. + +### Anaconda: Step by step guide for non-python users: + +1. [Download Anaconda](https://docs.anaconda.com/anaconda/install/index.html) and install it, then run `Anaconda Navigator` +2. create new environment under the `Environment` tab, select python version 3.6.13 +3. go to environments, click `play button` on newly created environment, open Terminal +4. run following lines individually (need to confirm: type `y` and press `enter`)(might take a while): `conda install -c rdkit rdkit` and `pip install pubchempy` +5. check if pandas is installed and active according to [this Tutorial](https://docs.anaconda.com/anaconda/navigator/tutorials/pandas/) +6. open `Anaconda Navigator`, go to `Home` tab, check if `Applications on` is set to the new environment +7. click `gear icon` on `Spyder` > install specific version > 5.0.5 and wait for installation to finish +8. click `launch button` below `Spyder`