Abstract

With the advent of computerized data acquisition in spectroscopy, it has become possible to acquire large quantities of data with relative ease. Without a convenient method for archiving and accessing the data at a later date, a number of the capabilities inherent in these systems are unrealized. We have developed a generalized archival system which automatically archives all raw data and generates a rapidly searchable database of text information and spectral data for all spectroscopic results covering the spectral regions from 30 nm to 1000 μm (3.3 × 10⁵ to 10 cm⁻¹). The system executes on a local area network (LAN) of personal computers and consists of a customized file-naming and comment convention that organizes data by research notebooks, an integrated data backup routine, and a spectral database system. The data backup and spectral database consist of two programs; (1) a DOS level copy routine to back up the system and data to an optical write once/read many (WORM) drive, and (2) a spectral database program written in the Lab Calc spectroscopy environment. Stored with each spectral library entry are searchable text fields of character data parsed from a standardized comment line which is entered prior to data acquisition. This system is used consistently with three different spectrophotometers, allowing all results to be treated equivalently for further numerical analysis.

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