Width-Enhanced Binary Representation for Library Searching of Vapor Phase Infrared Spectra
| Autor: | Michael F. Delaney, F. Vincent Warren |
|---|---|
| Rok vydání: | 1983 |
| Předmět: |
Matching (graph theory)
Computer science 010401 analytical chemistry Analytical chemistry Binary number Information theory 01 natural sciences 0104 chemical sciences 010309 optics Reduction (complexity) Position (vector) Histogram 0103 physical sciences Representation (mathematics) Instrumentation Algorithm Spectroscopy Complement (set theory) |
| Zdroj: | Applied Spectroscopy. 37:172-181 |
| ISSN: | 1943-3530 0003-7028 |
| DOI: | 10.1366/0003702834634000 |
| Popis: | A method is presented for the representation of vapor phase infrared spectra in a binary format which preserves both width and position information about each peak. Preselection of an optimally width-enhanced library of binary spectra, in advance of any actual library searching, is approached through the application of information theory and Grotch's method for prediction of matching histograms. A direct comparison of library searching results is conducted to complement the preselection efforts. The applicability of a channel-combination approach based on information theory is demonstrated. By this method, adequate library searching is achieved after a 25-fold reduction in the number of channels needed to describe each vapor phase infrared spectrum. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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