Chromatography data handling

A. Felinger, Data Analysis and Signal Processing in Chromatography, Data Handling in Science and Technology Vol. 21, Elsevier, Amsterdam, 1998. 

Figure 4.17. Diagrams depicting the historical development of chromatography data handling systems.

Chromatography data handling has benefited much from the computer revolution. A PC-based data station typically incorporates method storage, data archival, and report generation as well as full HPLC system control. For large laboratories, a centralized client-server network is becoming the standard system to ensure data security and compliance with regulations. Most network systems also allow the user to access data and to control the system remotely from the office and/or from home via a secured web connection. 

In general, gas chromatography will undoubtedly continue to be the method of choice for characterization of light hydrocarbon materials. New and improved detection devices and techniques, such as chemiluminescence, atomic emission, and mass spectroscopy, will enhance selectivity, detection limits, and analytical productivity. Laboratory automation through autosampling, computer control, and data handling will provide improved precision and productivity, as well as simplified method operation. 

Liquid chromatography (LC) instrumentation is continuously being refined and improved. Advances in electronics are incorporated into pumps, system injectors, data handling, and detectors. The reader is directed to the annual reviews from PITTCON published in LC-GCMagazine or American Laboratory or the Column Liquid Chromatography Equipment and Instrument review in Analytical Chemistry for the fundamental developments in instrumentation. 

Based on the quantity of data and the complexity of the process, an enterprise operational informatics system must be robust and scalable. It should also integrate with analytical instrumentation such as high performance liquid chromatography (HPLC) MS to verify compound identity. A recent review of HTS informatics provides a compact overview of the key informatics elements of HTS operations and data handling (Ling, 2008). 

The use of multiple detectors with size-exclusion chromatography (SEC) can greatly increase the information content available from a typical SEC analysis. This multidetector approach permits more accurate measurement of polymer properties than conventional SEC. The additional information, however, is obtained at the expense of an increase in the complexity of the instrumentation and data handling. In particular, a number of concerns arise in data acquisition and processing that are not present in conventional SEC. Some of these difficulties are outlined, and possible solutions are discussed. 

X-ray fluorescence spectrometry, gas chromatography and neutron activation analysis (NAA). An older book edited by Hofstader, Milner and Runnels on Analysis of Petroleum for Trace Metals (1976), includes one chapter each on principles of trace analysis and techniques of trace analysis and others devoted to specific elements in petroleum products. Markert (1996) presents a fresh approach to sampling, sample preparation, instrumental analysis, data handling and interpretation. The Handbook on Metals in Clinical and Analytical Chemistry, edited by Seiler,... 

Most CE systems are controlled by an external computer that controls all instrumental functions. The operating parameters for each analysis are programmed by computer. The electropherograms obtained are plots of detector response versus time thus, they resemble familiar HPLC or gas chromatography (GC) chromatograms, which means that familiar data handling systems can be used. In addition, electronic integrators or computers are used for qualitative identification and quantitation, as in HPLC or GC. 

Skov, T. Hoggard, J.C. Bro, R. Synovec, R.E. (2009). Handling within run retention time shifts in two-dimensional chromatography data using shift correction and modeling. Journal of Chromatography A, Vol.1216, No.l8, (May 2009), pp. 4020-4029, ISSN 0021-9673... 

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