{"title":"An Automated Baseline Correction Method for Raman Spectra Based on Piecewise Polynomial Fitting With Adaptive Window","authors":"Jie Ma, Meiyu Zuo, Biwei Wu, Weibo Wang","doi":"10.1002/jrs.6772","DOIUrl":null,"url":null,"abstract":"<div>\n \n <p>Baseline background tends to cause the Raman spectral signal to be hidden or distorted, making it difficult to accurately acquire spectral information. Although polynomial fitting has been widely proven to be an effective baseline correction method, it is difficult to achieve both high speed and high accuracy. In this paper, we propose a piecewise polynomial fitting method based on a sliding adaptive window(S-ModPoly). S-ModPoly relies on the adaptive width selection of a sliding window to automatically split the original spectrum into many different length segments containing complete peak information. Low-order iterative polynomial fitting is performed for each segment separately, which greatly reduces the computational effort while improving the baseline fitting accuracy. By further correcting the piecewise fitting results, the discontinuities between different intervals after piecewise fitting are eliminated. Furthermore, the true intensity information of the spectral signal is retained. Here, S-ModPoly is compared with three representative automated methods. The experimental results show that the S-ModPoly method has lower mean error and higher stability in a very short time (less than 20 ms). Additionally, the experimental results on measured Raman spectra demonstrate the effectiveness of the method in automatically processing various real spectral baselines. It performs well in both low and high intensity background baselines.</p>\n </div>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"56 4","pages":"337-344"},"PeriodicalIF":2.4000,"publicationDate":"2025-01-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Raman Spectroscopy","FirstCategoryId":"92","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/jrs.6772","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"SPECTROSCOPY","Score":null,"Total":0}
引用次数: 0
Abstract
Baseline background tends to cause the Raman spectral signal to be hidden or distorted, making it difficult to accurately acquire spectral information. Although polynomial fitting has been widely proven to be an effective baseline correction method, it is difficult to achieve both high speed and high accuracy. In this paper, we propose a piecewise polynomial fitting method based on a sliding adaptive window(S-ModPoly). S-ModPoly relies on the adaptive width selection of a sliding window to automatically split the original spectrum into many different length segments containing complete peak information. Low-order iterative polynomial fitting is performed for each segment separately, which greatly reduces the computational effort while improving the baseline fitting accuracy. By further correcting the piecewise fitting results, the discontinuities between different intervals after piecewise fitting are eliminated. Furthermore, the true intensity information of the spectral signal is retained. Here, S-ModPoly is compared with three representative automated methods. The experimental results show that the S-ModPoly method has lower mean error and higher stability in a very short time (less than 20 ms). Additionally, the experimental results on measured Raman spectra demonstrate the effectiveness of the method in automatically processing various real spectral baselines. It performs well in both low and high intensity background baselines.
期刊介绍:
The Journal of Raman Spectroscopy is an international journal dedicated to the publication of original research at the cutting edge of all areas of science and technology related to Raman spectroscopy. The journal seeks to be the central forum for documenting the evolution of the broadly-defined field of Raman spectroscopy that includes an increasing number of rapidly developing techniques and an ever-widening array of interdisciplinary applications.
Such topics include time-resolved, coherent and non-linear Raman spectroscopies, nanostructure-based surface-enhanced and tip-enhanced Raman spectroscopies of molecules, resonance Raman to investigate the structure-function relationships and dynamics of biological molecules, linear and nonlinear Raman imaging and microscopy, biomedical applications of Raman, theoretical formalism and advances in quantum computational methodology of all forms of Raman scattering, Raman spectroscopy in archaeology and art, advances in remote Raman sensing and industrial applications, and Raman optical activity of all classes of chiral molecules.