The Area Signal-to-Noise Ratio: A Robust Alternative to Peak-Based SNR in Spectroscopic Analysis

TL;DR

This paper proposes the area signal-to-noise ratio (aSNR) as a more robust alternative to the traditional peak-based SNR in spectroscopic analysis, demonstrating improved detection especially for broad peaks through extensive simulations.

Contribution

The paper introduces aSNR, an innovative method that integrates spectral signals over regions to enhance noise robustness, outperforming pSNR in various lineshapes and conditions.

Findings

aSNR requires lower amplitudes for detection

aSNR outperforms pSNR at low amplitudes

aSNR is especially effective for broad peaks

Abstract

In spectroscopic analysis, the peak-based signal-to-noise ratio (pSNR) is commonly used but suffers from limitations such as sensitivity to noise spikes and reduced effectiveness for broader peaks. We introduce the area-based signal-to-noise ratio (aSNR) as a robust alternative that integrates the signal over a defined region of interest, reducing noise variance and improving detection for various lineshapes. We used Monte Carlo simulations (n=2,000 trials per condition) to test aSNR on Gaussian, Lorentzian, and Voigt lineshapes. We found that aSNR requires significantly lower amplitudes than pSNR to achieve a 50% detection probability. Receiver operating characteristic (ROC) curves show that aSNR performs better than pSNR at low amplitudes. Our results show that aSNR works especially advantageously for broad peaks and could be extended to volume-based SNR for multidimensional spectra.