NIR_Spectral_Data_Analysis
This directory contains 3 workflows.
01_NIR_Spectral_Data_Analysis_Preprocessing
This workflow performs data preprocessing on NIR spectroscopy data. The user is able to select a subset of observations, as well as to visually select […]
02_NIR_Spectral_Data_Analysis_Clustering_and_Visualization
This workflow takes preprocessed spectral data of multiple samples as an input and: 1. creates line plot visualizations colored according to available […]
03_NIR_Spectral_Data_Inhouse_Database_Search
This workflow shows how an inhouse database can be created directly from JDX files and searched using different similarity search strategies with the aim of […]