Molecular spectroscopy data needs

Computer Science – Information Theory

Scientific paper

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Molecular Spectra, Information Theory And Communication Theory

Scientific paper

At one time it was possible to envisage a molecular data center which critically evaluated the entire world's output of high-resolution spectroscopic studies for a given class of molecules within a certain frequency range. Such efforts are no longer possible due to the massive amounts of data produced each year. In order to design smaller, more focussed, and shorter term data efforts, a workshop was held at NIST, during which the most pressing immediate needs of various user communities were described in some detail. While these needs are now relatively clear, as indicated in the overview below, a good algorithm for prioritizing the needs of the very disparate user groups did not emerge from the workshop.

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