Requirements

Python

• Python 3.0+
• numpy
• pandas
• matplotlib
• scipy

R

• dplyr
• data.table
• Amelia
• corrplot
• mice

Usage

x1_plot_spectra.py - Plot the UV-absorbance spectra data saved in a training or testing CSV file. Output will be saved to Plots/ directory.

x2_extract_features.py - Generate the training or testing dataset by calculating the peak position and full-width half-max of transverse and longitudinal surface plasmon resonance for training or testing csv.

x3_data_map.R - Generate missingness plot and correlation plots for Data/training.csv. The CSV file must exist.

x4_multiple_imputation.R - Run MICE imputation on Data/training.csv, save imputed data set and Kolmogorov-Smirnov test statistic and plot.