Data Handling Techniques

The substantial computing power of FTIR systems has also been an important factor in the success of FTIR spectroscopy. FTIR software packages provide a wide variety of data handling routines that facihtate spectral acquisition and interpretation and enhance the utiUty of IR spectroscopy as both a quahtative and a quantitative analysis tool. In the following section, we will discuss some data handling techniques. FTIR software for multi-component analysis will be covered in the subsequent section on quantitative analysis methods. 

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Developments in electroanalytical chemistry are driven by technical advances in electronics, computers, and materials. Present scientific capabilities available in a research laboratory will be applicable for field measurements with the advent of smaller, less expensive, more powerful computers. Miniaturization of electrochemical cells, which can improve perfonnance, especially response time, can be implemented most effectively in the context of miniaturization of control circuitry. Concomitant low cost could make disposable systems a practical reality. Sophisticated data analysis and data handling techniques can, with better facilities for computation, be handled in real time. 

T o open a statistics book with a discussion of the way in which data can be categorized into different types probably sounds horribly academic. However, the first step in selecting a data handling technique is generally identifying what type of data we are dealing with. So, it may be dry, but it does have real consequences. 

Despite the volume of data generated and the variety of applications, development and testing of data-handling techniques have lagged. There is... 

Diffraction patterns from amorphous materials consist of a few vague halos. Accurate measurement of the intensity distributions of these halos in reciprocal space provides information about the distribution of atoms in real space. Reviews of the experimental methods and data handling techniques for X-ray-, electron-, and neutron-scattering is given in the literature The mathematical tool which is used to relate the... 

This chapter will focus on the appHcation of FTIR spectroscopy in the quantitative analysis of foods. Following a brief discussion of the fundamental principles of IR spectroscopy, we wiU describe the instrumentation, data handling techniques, and quantitative analysis methods employed in FTIR spectroscopy. We will then consider the IR sampling techniques that are most useful in FTIR analysis of foods. Finally, a survey of FTIR applications to the quantitative analysis of food will be presented. Although important, the so-called hyphenated techniques, such as GC-FTIR, will not be covered in this chapter. Similarly, near-IR (NIR) spectroscopy, which has found extensive use in food analysis, is beyond the scope of this chapter. 

Because of the elaborate calculations and data processing required for this kind of mathematical analysis, it has not been feasible to consider potentially useful techniques to accomplish this task manually. However, with the recent availability of high-speed digital computers of large storage capacity, and the development of data-handling techniques, such an extensive lipoprotein analysis becomes not only entirely realistic, but perhaps necessary in order to increase our understanding of the human lipoprotein system. 

Center for Process Analytical Chemistry CPAC is an industry university consortium headquartered at the University of Washington. The team of faculty members, research staffers, visiting scientists, and graduate students conducts research at I 0 university nationwide and works with companies to develop technology. The charter focuses on chemometrics, sensors, spectroscopy, chromatography, and microflow analysis. The main objective is to develop real time measurement and relevant data handling techniques. 

The acronym NIRA, or near-infrared analysis, is a term that implies the use of computer algorithms and multivariate data-handling techniques to provide either qualitative or quantitative analysis of a sample (or samples). NIRS includes a single spectral measurement and as such is a more generic definition. For example, an optical engineer involved in the design of a MR instrument would be involved with NIRS but not necessarily NIRA. 

Significant accomplishments have been achieved in real-time measurement and data handling techniques for process monitoring and control, includ-... 

Kumar, A.C.S. Dubey, S.P. Mehta, A.K. Rao, U.R.K. Modelling of grinding wheel life by the Group Method of Data Handling technique together with sensitivity analysis. Wear 127 (1988) p.179. 

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