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Two-Point Maximum Entropy Noise Discrimination in Spectra Over a Range of Baseline Offsets and Signal-to-Noise Ratios

Volume 61, Number 2 (Feb. 2007) Page 157-164

Schulze, H. Georg; Foist, Rod B.; Jirasek, Andrew I.; Ivanov, Andre; Turner, Robin F.B.

The two-point maximum entropy method (TPMEM) is a useful method for signal-to-noise ratio enhancement and deconvolution of spectra, but its efficacy is limited under conditions of high background offsets. This means that spectra with high average background levels, regions with high background in spectra with varying background levels, and regions of high signal-to-noise ratios are smoothed less effectively than spectra or spectral regions without these conditions. We report here on the cause of this TPMEM limitation and on appropriate baseline estimation and removal procedures that effectively minimize the effects on regularization. We also present a comparative analysis of TPMEM and Savitzky-Golay filtering to facilitate selection of the best technique under a given range of conditions.