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By Robert Allen Meyers

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Fourier Transform Analysis One application of high-speed computers to data analysis is often found in spectrophotometric applications, such as infrared and nuclear magnetic resonance techniques. Samples can be irradiated with broad ranges of frequencies from the appropriate regions of the electromagnetic spectrum and will absorb certain discrete frequencies dependent on sample chemistry. Each independent frequency that can be observed (resolved) in the range of energies employed can be represented as a sinusoidal oscillation.

This procedure allows the classification of a species to be made on the basis of a series of measurements that establish a pattern. Procedurally, a matrix describing the patterns of a number of species is constructed. Then a decision vector is designed by the use of standards to divide the patterns into discrete classifications, resulting in a mathematical form, p = V1 d1 + V2 d2 + · · · + Vn dn , where p represents a set of patterns, V represents components of the decision vector, and d represents the data P1: GJB Revised Pages Encyclopedia of Physical Science and Technology En001f25 May 7, 2001 13:58 577 Analytical Chemistry for the species of interest.

3. Specificity is a special case of selectivity and generates a single nonzero element (in the calibration matrix), which lies on the diagonal. 4. A partial specificity can be defined when only the diagonal element in one row can practically be considered to have a nonzero value. A grade of specificity is numericaily determined by θa = n k=1 γaa − 1. γkk − γaa IV. FUTURE PERSPECTIVES Naturally, it is difficult to predict the evolution of a discipline as diverse as analytical chemistry. Table XIV indicates a summary of short-term future directions as garnered from the present interests and activities of researchers in the field.

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