ABSTRACT
Most chemical characterization involves the measurement of one or more spectrum, which are then interpreted to identify, characterize, and/or quantify
a substance and its chemical transformations [1, 2]. Classic spectroscopic techniques are based on the way that molecules interact with light including radio waves (NMR), microwaves, infrared radiation, visual and ultraviolent light, and X-rays. However, there are also spectrometric methods based on neutron scattering. However, many different instrumental analysis methods provide spectrum-like output, for example, elution curves from chromatographic and electrophoretic methods, mass spectra (from mass spectrometry or other methods), cyclic voltammograms, differential scanning calorimetry, and various types of titration curves. More generally, any measured response to a control parameter (like wavelength, voltage, acidity, temperature, pressure, etc.) or to the time (transit time, reaction time, decay time, etc.) can be viewed as a type of “spectrum.”
