Working party on spectroscopic data standards

Neural network methods require a fixed length representation of the data to be processed. Vibrational spectra recorded usually fulfill this requirement. With most applications in vibrational spectroscopy, the spectral range and resolution are fixed, and a comparison of spectra from different sources is directly possible. Appropriate scaling of the spectra allows handling different resolutions to obtain the same number of components in a descriptor. Digitized vibrational spectra typically contain absorbance or transmission values in wave-number format. Most of the spectrometers provide the standardized spectral data format JCAMP-DX developed by the Working Party on Spectroscopic Data Standards from the International Union of Pure and Applied Chemistry (lUPAC) [48]. 

Following the first meeting of the new lUPAC Working Party on Spectroscopic Data Standards (JCAMP-DX) the following recommendations have been proposed for NMR. They are still in draft form, and anyone wishing to adopt these alterations should contact the author to ascertain the current status. 

As was mentioned in Section 2,8, the development and support of the JCAMP-DX range of standards has now passed to the lUPAC Working Party on Spectroscopic Data Standards. Future developments such as the new standard for ion mobility spectrometry will be made by through this group. Most recently, a start has been made towards a new protocol for electron paramagnetic resonance spectroscopy. 

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