spectroscopy-predictive-model
Here's a description of the data from Kuhn and Johnson (2016), p. 137: Infrared (IR) spectroscopy technology is used to determine the chemical makeup of a substance. The theory of IR spectroscopy holds that unique molecular structures absorb IR frequencies differently. In practice a spectrometer fires a series of IR frequencies into a sample material, and the device measures the absorbance of the sample at each individual frequency. This series of measurements creates a spectrum profile which can then be used to determine the chemical makeup of the sample material. A Tecator Infratec Food and Feed Analyzer instrument was used to analyze 215 samples of meat across 100 frequencies. A sample of these frequency profiles is displayed in Fig. 6.20. In addition to an IR profile, analytical chemistry determined the percent content of water, fat, and protein for each sample. If we can establish a predictive relationship between IR spectrum and fat content, then food scientists could predict a sampleβs fat content with IR instead of using analytical chemistry. This would provide costs savings, since analytical chemistry is a more expensive, time-consuming process.
