Processing Software for Fourier Transform Spectroscopies

Abstract

Data processing techniques centered around the Fourier Transform (FT) have greatly expanded the power and flexibility of many conventional data manipulation methods. In addition, the availability of inexpensive mini- and micro-computers has made digital data processing techniques cost-effective for most scientific and engineering laboratories. Instrumental methods such as FT-NMR have evolved as a direct consequence of advances in computer hardware and the creation of the Fast Fourier Transform (FFT) algorithm. While the Fourier transform itself is not a user-interactive technique, the use of interactive software in all other phases of Fourier transform data processing is advantageous. This chapter will use examples from a modular software package nearing completion at Florida State University¹ to illustrate how interactive software can be written and used. The package, FSUNMR, was written for, but is not limited to, NMR spectral data. Considerable attention will be given to one of the most difficult aspects of programming many small computers: the implementation of very large data arrays. Finally, a Fourier transform algorithm for large (virtual) arrays will be presented.