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Automatic Generation of Peak-Shaped Models

Volume 58, Number 8 (Aug. 2004) Page 986-994

Alsmeyer, Frank; Marquardt, Wolfgang

We describe how parametric spectral models for analytical applications can be generated by an automatic curve-fitting algorithm. The algorithm does not require initial choices of parameters or other human intervention, in contrast to established approaches that rely on deconvolution or derivative spectroscopy. This algorithm has been applied for quantitative analysis but can potentially be used in other applications that are based on parametric representations of peak-shaped models or could benefit from using such models, such as calibration transfer.