A versatile double beam ultraviolet and visible spectrophotometer, which uses a small digital computer to collect optical absorption spectra, has been developed in our laboratories. Digital data are stored on paper tape. This work describes the subsequent data treatment on a large computer.
Subroutines for wavelength calibration, data smoothing, and data presentation have been written. Spectra obtained in different or overlapping regions with various concentrations may be combined to a single plot of molar absorption coefficients. The data analysis is based on statistical concepts.
The standard deviation of the reduced data is calculated and also plotted. This represents a measure of the precision of the recorded data, information which is not easily obtained from commercial spectrometers. Details of the software system with examples of its performance are also presented.
Physical Chemistry Laboratory, Swiss Federal Institute of Technology, CH-8006 Zürich, Switzerland
Publication date: January 1, 1974
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The Society publishes the internationally recognized, peer reviewed journal, Applied Spectroscopy, which is available both in print and online. Subscriptions are included with membership or can be purchased by institutional or corporate organizations. Abstracts may be viewed free of charge. Previously published as Bulletin (Society for Applied Spectroscopy)