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ANALYTICAL DATA PROCESSING METHODS FOR FOURIER TRANSFORM SPECTROSCOPIES

A new interactive spectral data processing system was developed. While this system was built for FT-NMR applications, it is in no way limited to NMR. Powerful general purpose processing algorithms have been designed to provide users a high degree of flexibility and control over spectral data analysis. For example, users can choose the level of control to be exercised over a computation (manual, semi-manual, automatic). The system was designed to be run under a general purpose operating system which provides a spooled output and user security. Power and flexibility are also attained by the use of FORTRAN code in a highly modular configuration. New features are readily added with a minimum of effort. / Spectral data sets are stored in 32-bit floating point format and can consist of up to 16,384 complex points. The limitation of 16-bit CPU architecture necessitated the implementation of virtual data arrays to accomodate large data sets. Two virtual array manipulation techniques were developed: transparent and explicit. The transparent mechanism is easier to use but is at least an order of magnitude slower than the explicit mechanism. Comparisons of the mechanisms for a Fast Fourier Transform algorithm indicate that the transparent mechanism is inadequate for large data sets. / Quantitative ('13)C NMR techniques were developed and verified. Improvements in precision were obtained by the use of sophisticated integration software. Algorithms were developed to characterize and correct baseline distortions, define integration limits and correct for experimental effects. A factor of three increase in integral precision over standard methods is demonstrated. / Source: Dissertation Abstracts International, Volume: 42-01, Section: B, page: 0193. / Thesis (Ph.D.)--The Florida State University, 1981.

Identiferoai:union.ndltd.org:fsu.edu/oai:fsu.digital.flvc.org:fsu_74396
ContributorsDUMOULIN, CHARLES LUCIAN., Florida State University
Source SetsFlorida State University
Detected LanguageEnglish
TypeText
Format164 p.
RightsOn campus use only.
RelationDissertation Abstracts International

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