Peak detection of TOF-SIMS using continuous wavelet transform and curve fitting

Zheng, Ying; Tian, Di; Liu, Ke; Bao, Zemin; Wang, Peizhi; Chunling, Qiu; Liu, Dunyi; Fan, Runlong

doi:10.1016/j.ijms.2018.03.001

Cited by 19 publications

(6 citation statements)

References 17 publications

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“…A chemometric-assisted method based on gas chromatography-mass spectrometry for metabolic profiling analysis MS-based alignment 2015 [73] Robust algorithm for aligning two-dimensional chromatograms 2D Alignment 2012 [67] Handling within run retention time shifts in 2D data PARAFRAC 2009 [74] MS-based peak alignment for automatic nontargeted metabolic profiling analysis for biomarker screening in plant samples PCC 2017 [71] Parametric Peak detection methods for GC × GC Review 2016 [97] multi-scale Gaussian smoothing-based strategy for peak extraction Smoothing 2016 [70] Streak detection based on image analysis Watershed 2018 [122] Probability of failure of the watershed algorithm for peak detection in comprehensive two-dimensional chromatography Watershed 2010 [121] Peak detection of TOF-SIMS using continuous wavelet transform and curve fitting Wavelet transform 2018 [302] Recursive Wavelet Peak Detection Wavelet transform 2016 [111] Peak detection by continuous wavelet transform Wavelet transform 2016 [107] Multiscale peak detection in wavelet space Wavelet transform 2015 [106] Multiridge detection and time-frequency reconstruction Wavelet transform 1999 [110] Peak properties…”

Section: Ms-based Alignment 2019 [72]mentioning

confidence: 99%

Recent applications of chemometrics in one‐ and two‐dimensional chromatography

Bos

Knol

Molenaar

et al. 2020

J of Separation Science

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The proliferation of increasingly more sophisticated analytical separation systems, often incorporating increasingly more powerful detection techniques, such as highresolution mass spectrometry, causes an urgent need for highly efficient dataanalysis and optimization strategies. This is especially true for comprehensive twodimensional chromatography applied to the separation of very complex samples. In this contribution, the requirement for chemometric tools is explained and the latest developments in approaches for (pre-)processing and analyzing data arising from oneand two-dimensional chromatography systems are reviewed. The final part of this review focuses on the application of chemometrics for method development and optimization.

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Section: Ms-based Alignment 2019 [72]mentioning

confidence: 99%

Recent applications of chemometrics in one‐ and two‐dimensional chromatography

Bos

Knol

Molenaar

et al. 2020

J of Separation Science

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“…Different from other methods of calculating irreducible water saturation, the proposed method decomposes the T 2 distribution automatically and determines irreducible water saturation. The CWT method , was introduced to the NMR logging field. The T 2 distribution was transformed by CWT.…”

Section: Introductionmentioning

confidence: 99%

Novel Method for Determining Irreducible Water Saturation in a Tight Sandstone Reservoir Based on the Nuclear Magnetic Resonance T₂ Distribution

et al. 2022

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Irreducible water saturation, affecting the productivity of a reservoir, is one of the key parameters for a tight sandstone reservoir. Nuclear magnetic resonance (NMR) logging, detecting the relaxation information on pore fluid with hydrogen nuclei in formation, can be used to distinguish irreducible and movable fluids as a result of their different relaxation information. The irreducible water saturation can be determined by the T 2 cutoff method in the conventional reservoir. However, a tight sandstone reservoir possesses a complex pore structure, and relaxation signals of different pore fluids may overlap in the T 2 distribution. The T 2 cutoff method to determine irreducible water saturation may be a challenge in tight sandstone reservoirs. In this study, a novel T 2-distribution-based method, with the film model assumption, was proposed to determine the irreducible water saturation in tight sandstone reservoirs. The T 2 distribution was transformed by a continuous wavelet transform to obtain the two-dimensional matrix of wavelet coefficients, and the position and shape parameters of the spectral peak at different scales in wavelet space were determined. These parameters were used to construct the Gaussian distribution functions (GDFs) at different scales. The T 2 distribution was decomposed on the basis of the constructed GDFs, and then the optimal decomposition was selected. The irreducible water saturation is determined by the optimal T 2 distribution decomposed. The effectiveness and practicability of the proposed method were validated by numerical simulation, core experimental, and NMR logging data processing.

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“…Peak detection is the basis of spectral analysis and has a direct influence on the reliability of the subsequent analyses. Various peak detection methods have been developed, such as the derivative method [7], local maximum method [8], curve fitting method [9]- [10], deconvolution method [11]- [12], and wavelet transform method [13]- [20]. These methods have positive significance for the detection of spectral peaks.…”

Section: Introductionmentioning

confidence: 99%

“…Liu et al [19] improved the mother wavelet to shorten its linewidth, which was applied to the mother wavelet to identify Raman spectral peaks and achieved good results. Zheng et al [10] explored a method that combined CWT and curve fitting to reduce the influence of noise. However, curve fitting reduce the peak detection efficiency of the algorithm.…”

Section: Introductionmentioning

confidence: 99%

An Improved Algorithm for Peak Detection Based on Weighted Continuous Wavelet Transform

Zhou

et al. 2022

IEEE Access

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Peak detection is a crucial preprocessing step in the analysis of various spectral signals. The method based on the continuous wavelet transform is more practical and popular, and has better detection accuracy and reliability by identifying peaks across scales in the wavelet space and implicitly removing noise as well as the baseline. However, there are inevitably overlapping peaks in the measured spectra, and the formed composite ridges affect peak detection accuracy. Most peak detection methods have limited applicability to overlapping peaks. A weighted continuous wavelet transform (WCWT) peak detection algorithm is proposed to improve the adaptive ability of the peak detection method. This method yields more obvious spectral peak characteristics in low-scale regions. Composite ridges can be successfully truncated by setting a noise threshold based on the standard deviation of the spectral signal. In addition, the maximum value in the ridges was compressed and shifted to a smaller scale, which could determine the peaks more accurately. The method was applied to the peak detection of simulated spectra, Romanian database of Raman spectra, and real liquid electrode glow discharge spectra. The results show that the proposed method exhibits good peak detection performance.INDEX TERMS Peak detection, weighted continuous wavelet transform, overlapping peaks, peak ridges.

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Peak detection of TOF-SIMS using continuous wavelet transform and curve fitting

Cited by 19 publications

References 17 publications

Recent applications of chemometrics in one‐ and two‐dimensional chromatography

Recent applications of chemometrics in one‐ and two‐dimensional chromatography

Novel Method for Determining Irreducible Water Saturation in a Tight Sandstone Reservoir Based on the Nuclear Magnetic Resonance T₂ Distribution

An Improved Algorithm for Peak Detection Based on Weighted Continuous Wavelet Transform

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Peak detection of TOF-SIMS using continuous wavelet transform and curve fitting

Cited by 19 publications

References 17 publications

Recent applications of chemometrics in one‐ and two‐dimensional chromatography

Recent applications of chemometrics in one‐ and two‐dimensional chromatography

Novel Method for Determining Irreducible Water Saturation in a Tight Sandstone Reservoir Based on the Nuclear Magnetic Resonance T2 Distribution

An Improved Algorithm for Peak Detection Based on Weighted Continuous Wavelet Transform

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Product

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Novel Method for Determining Irreducible Water Saturation in a Tight Sandstone Reservoir Based on the Nuclear Magnetic Resonance T₂ Distribution