Nonlinear Wavelet Compression of Ion Mobility Spectra from Ion Mobility Spectrometers Mounted in an Unmanned Aerial Vehicle

Cao, Libo; Harrington, Peter de B.; Harden, Charles S.; McHugh, Vincent M.; Thomas, Martin A.

doi:10.1021/ac0351466

Cited by 18 publications

(12 citation statements)

References 20 publications

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“…If spectra are continually collected, the storage capacity of the processing system may be exceeded. For wireless communication applications, the data bandwidth limit may restrict the rate at which data can be conveyed, thereby necessitating the use of data modeling and data compression …”

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confidence: 99%

SIMPLISMA and ALS Applied to Two-Way Nonlinear Wavelet Compressed Ion Mobility Spectra of Chemical Warfare Agent Simulants

2005

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Ion mobility spectrometry is a rapid scanning measurement method for which compression methods that facilitate the handling of large collections of data are beneficial. Peak distortion in reconstructed ion mobility spectra from linear wavelet compression is problematic in that artifact peaks may cause false positive alarms. Peak shifting also may cause false alarms if target peaks shift out of or interfering peaks shift into detection windows. Nonlinear wavelet compression (NLWC) preserves peak shape and can lessen the degree of distortion, shifting, and artifact peaks in the reconstructed spectra. NLWC was applied to achieve high compression and fidelity in the reconstructed spectra. Another benefit is that NLWC improves signal-to-noise ratios and thus the models built from compressed data are improved. By compressing both the drift time order and the spectrum acquisition order, greater compressions maybe achieved. A two-way nonlinear wavelet compression method that incorporates alternating least squares (2W-NLWC-ALS) algorithm was devised by applying ALS to partially reconstructed wavelet coefficients generated from two-way NLWC. The number of components in a data set can be determined automatically using ASIMPLISMA. The smaller ALS models are saved as the final compressed data and can be used to reconstruct the entire data set efficiently without maintaining the compressed wavelet coefficient matrix of the original data set. The 2W-NLWC-ALS algorithm provides greater compression ratios compared to regular wavelet compression and interpretable models. Using this method, large volumes of data can be acquired and easily evaluated through a simple compressed model. A compression ratio of 510 ppm, root-mean-square error (E(RMS)) of 6.3 mV (full-scale signal is usually 1 V or larger), and relative root-mean-square error (RE(RMS)) of 1.62% were achieved for data sets collected by CAM. A compression ratio of 46 ppm, E(RMS) of 9.2 mV, and RE(RMS) of 0.42% were achieved for data sets collected with an ITEMISER instrument. The 2W-NLWC-ALS algorithm is an efficient compression method that provides the benefits of a simple model.

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confidence: 99%

SIMPLISMA and ALS Applied to Two-Way Nonlinear Wavelet Compressed Ion Mobility Spectra of Chemical Warfare Agent Simulants

2005

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“…37,38 Currently, wavelet transform is the most common compression and denoising method applied to IMS data e.g. in chemical weapons 37,39,40 and breath-based disease detection. 41,42 Wavelet transform is a mathematical transformation for hierarchically decomposing signals.…”

Section: Targeted Analyte Analysis Techniquesmentioning

confidence: 99%

Chemometrics for ion mobility spectrometry data: recent advances and future prospects

Szymańska

Davies

Buydens

2016

Analyst

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Historically, advances in the field of ion mobility spectrometry have been hindered by the variation in measured signals between instruments developed by different research laboratories or manufacturers. This has triggered the development and application of chemometric techniques able to reveal and analyze precious information content of ion mobility spectra. Recent advances in multidimensional coupling of ion mobility spectrometry to chromatography and mass spectrometry has created new, unique challenges for data processing, yielding high-dimensional, megavariate datasets. In this paper, a complete overview of available chemometric techniques used in the analysis of ion mobility spectrometry data is given. We describe the current state-of-the-art of ion mobility spectrometry data analysis comprising datasets with different complexities and two different scopes of data analysis, i.e. targeted and non-targeted analyte analyses. Two main steps of data analysis are considered: data preprocessing and pattern recognition. A detailed description of recent advances in chemometric techniques is provided for these steps, together with a list of interesting applications. We demonstrate that chemometric techniques have a significant contribution to the recent and great expansion of ion mobility spectrometry technology into different application fields. We conclude that well-thought out, comprehensive data analysis strategies are currently emerging, including several chemometric techniques and addressing different data challenges. In our opinion, this trend will continue in the near future, stimulating developments in ion mobility spectrometry instrumentation even further.

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“…In addition to the mentioned methods, wavelet transform (WT) is a high‐performance signal processing tool with many desirable characteristics, which has been found to be a useful approach in analytical chemistry. The applications of WT for resolving overlapped peaks in IMS and other methods have also been reported …”

Section: Introductionmentioning

confidence: 99%

Resolution enhancement of overlapped peaks of ion mobility spectrometry based on stationary wavelet transform

Sheibani

Saeedi-Sourck

Tabrizchi

2017

Journal of Chemometrics

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Lack of sufficient resolving power is one common problem in quantitative determination using ion mobility spectrometry (IMS) method. This paper proposes a new application of stationary wavelet transform (SWT) in resolving the overlapped peaks in IMS. Firstly, the ion product overlapped peaks are denoised by wavelet transform and secondly, the overlapping peaks are resolved by looking into coefficients of SWT. One-and two-component overlapping ion peaks of IMS are processed with the developed SWT method, which yields the significant improvement of resolution.KEYWORDS denoising, ion mobility spectrometry (IMS), overlapping peaks, resolution enhancement, stationary wavelet transform (SWT)

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Nonlinear Wavelet Compression of Ion Mobility Spectra from Ion Mobility Spectrometers Mounted in an Unmanned Aerial Vehicle

Cited by 18 publications

References 20 publications

SIMPLISMA and ALS Applied to Two-Way Nonlinear Wavelet Compressed Ion Mobility Spectra of Chemical Warfare Agent Simulants

SIMPLISMA and ALS Applied to Two-Way Nonlinear Wavelet Compressed Ion Mobility Spectra of Chemical Warfare Agent Simulants

Chemometrics for ion mobility spectrometry data: recent advances and future prospects

Resolution enhancement of overlapped peaks of ion mobility spectrometry based on stationary wavelet transform

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