Goldindec: A Novel Algorithm for Raman Spectrum Baseline Correction.
Goldindec: A Novel Algorithm for Raman Spectrum Baseline Correction.
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Goldindec：拉曼光谱基线校正的新算法
DOI：
10.1366/14-07798
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发表时间：
2015-07
影响因子：
3.5
通讯作者：
Liu B
中科院分区：
文献类型：
--
作者：
Liu J;Sun J;Huang X;Li G;Liu B
拉曼光谱在生物学、物理学和化学等领域有着广泛的应用，已成为研究大分子的重要工具。然而，由于有机分子的固有荧光，原始拉曼信号经常被宽背景曲线（或基线）遮蔽，这导致在拉曼光谱的定量分析中不可预测的负面影响。因此，在分析原始拉曼光谱之前校正该基线是必要的。多项式拟合已被证明是最方便，最简单的方法，并具有较高的精度。在多项式拟合中，所使用的成本函数及其参数至关重要。本文提出了一种新的迭代算法Goldindec，它具有一个新的代价函数，不仅克服了大峰值的影响，而且解决了当存在高峰数时校正精度低的问题。Goldindec从原始数据自动生成参数，而不是像以前的方法那样通过经验选择。在基准数据上与其他算法的比较表明，Goldindec算法具有较高的精度和计算效率，且几乎不受大峰值、峰数和波数的影响。
Raman spectra have been widely used in biology, physics, and chemistry and have become an essential tool for the studies of macromolecules. Nevertheless, the raw Raman signal is often obscured by a broad background curve (or baseline) due to the intrinsic fluorescence of the organic molecules, which leads to unpredictable negative effects in quantitative analysis of Raman spectra. Therefore, it is essential to correct this baseline before analyzing raw Raman spectra. Polynomial fitting has proven to be the most convenient and simplest method and has high accuracy. In polynomial fitting, the cost function used and its parameters are crucial. This article proposes a novel iterative algorithm named Goldindec, freely available for noncommercial use as noted in text, with a new cost function that not only conquers the influence of great peaks but also solves the problem of low correction accuracy when there is a high peak number. Goldindec automatically generates parameters from the raw data rather than by empirical choice, as in previous methods. Comparisons with other algorithms on the benchmark data show that Goldindec has a higher accuracy and computational efficiency, and is hardly affected by great peaks, peak number, and wavenumber.
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影响因子：
3.4
作者：
Likar, A;Vidmar, T
通讯作者：
Vidmar, T
影响因子：
3.5
作者：
Mittermayr, CR;Tan, HW;Brown, SD
通讯作者：
Brown, SD
影响因子：
5.8
作者：
Ressom, H. W.;Varghese, R. S.;Goldman, R.
通讯作者：
Goldman, R.
DOI：
10.1109/tbme.2011.2143713
发表时间：
2011-07
期刊：
IEEE transactions on bio-medical engineering
影响因子：
--
作者：
Asfour H;Swift LM;Sarvazyan N;Doroslovački M;Kay MW
通讯作者：
Kay MW
影响因子：
6.8
作者：
AKAIKE, H
通讯作者：
AKAIKE, H