Spectrum interpretation

T. L. Clerc, in Computer-Enhanced Analytical Spectroscopy, H. L. C. Meuzelaar, T.L. Isenhour (Eds.), Plenum Press, New York, 1987, pp. 145-162. Automated spectra interpretation and library search systems. 

M. E. Elyashberg, Infrared spectra interpretation by the characteristic frequency approach, in The Encyclopedia of Computational Chemistry,... 

Both cases can be dealt with both by supervised and unsupervised variants of networks. The architecture and the training of supervised networks for spectra interpretation is similar to that used for calibration. The input vector consists in a set of spectral features yt(Zj) (e.g., intensities at selected wavelengths zi). The output vector contains information on the presence and absence of certain structure elements and groups fixed by learning rules (Fig. 8.24). Various types of ANN models may be used for spectra interpretation, viz mainly such as Adaptive Bidirectional Associative Memory (BAM) and Backpropagation Networks (BPN). The correlation... 

Mass spectra interpretation can be very difficult, especially in the case of a complex sample, so the possibility of chemical imaging can help reduce the complexity of the technique. Indeed, instead of using the spectra of the whole sample, specific mass spectra can be recalculated from a precise area giving more specific information. A general method for spectra examination is described in Figure 15.3 from the global spectrum,... 

INTRODUCTION TO MASS SPECTRA INTERPRETATION ORGANIC CHEMISTRY... 

Contents Basic Physical Concepts. - Hyperfine Interactions. - Experimental. - Mathematical Evaluation of Mossbauer Spectra. - Interpretation of Mossbauer Parameters of Iron Compounds. - Mossbauer-Active Transition Metals Other than Iron. - Some Special Applications. 

---