基于小波变换的便携式质谱重叠峰解析方法研究

李宝强; 李翠萍; 黄启斌; 张众垚; 徐智; 张琳; 郭春涛

doi:10.7538/zpxb.youxian.2014.0067

基于小波变换的便携式质谱重叠峰解析方法研究

1.
国民核生化灾害防护国家重点实验室,北京102205
2.
北京普析通用仪器有限责任公司,北京100081

计量
- 文章访问数: 882
- HTML全文浏览量: 0
- PDF下载量: 878
出版历程
- 刊出日期: 2015-05-19

Research of Portable Mass Spectrometer Overlapped Peak Resolution Method Based on Wavelet Transform

1.
State Key Laboratory of NBC Protection for Civilian, Beijing 102205, China
2.
Beijing Purkinje General Instrument Co., Ltd, Beijng 100081, China

摘要

摘要: 针对便携式质谱重叠峰导致无法准确识别待测物质特征峰的问题，研究了基于小波变换的重叠峰解析方法，并对使用该方法处理重叠峰时存在的小波函数的选择、小波分解层数的确定、信号经小波变换后细节部分的选取，以及细节部分放大倍数的确定等问题进行了研究。选用仿真的大峰与大峰重叠数据、大峰与小峰重叠数据和便携质谱仪实测的DMMP重叠峰数据进行实验。结果表明，应用该方法解析重叠峰后，与原始数据的分离度相比，仿真的大峰与大峰的分离度提高了128.57%，大峰与小峰的分离度提高了52.0%，实测DMMP数据的分离度提高了至少33.75%。
- 便携式质谱 /
- 重叠峰解析 /
- 小波变换
Abstract: Aiming to the portable mass spectra existing overlapped peaks that impacted the identification of the analyte, the method of overlapped peak resolution based on wavelet transform was researched. The wavelet function selecting, confirming the wavelet decomposition level, selecting the detail portion of wavelet coefficients and the magnification of the details were studied when this method was used to process the overlapped peaks. It used the simulative overlapped large-large peaks，large-small peaks and the measured DMMP overlapped peaks in the experiment. The results show that using the presented method to distinguish the overlapped peaks, the resolution of large-large peak is improved by 128.57%, the large-small peak is 52.0%, and the measured DMMP data is improved by 33.75% at least, compared with the resolution of original data.
- portable mass spectrometer /
- overlap peak resolve /
- wavelet transform

HTML全文

参考文献(20)

[1]	KAUPPINEN J K, MOFFATT D J, MANTSH H H. Fourier self-deconvolution：A method for resolving intrinsically overlapped bands[J]. Appl Specrosco, 1981, 35: 271-276.
[2]	KAUPPINEN J K, MOFFATT D J, CAMERON D G. Fourier self-deconvolution: A method for resolving intrinsically overlapped bands[J]. Appl Opt, 1981, (35): 271-276.
[3]	YANG W J, GROFFTHS P R, BYLER D M. Protein conformation by infrared spectroscopy: Resolution enhancement by Fourier self-deconvolution[J]. Applied Spectroscopy,1985, (39): 282-287.
[4]	YANG W J, GROFFTHS P R, BYLER D M. Optimization of parameters for Fourier self-deconvolution[J]. Comput Enhanced Spectrom,1984, (2): 59-74.
[5]	HACENE S, LOTFI S, JACQUES D, et al. TimeDomain quantification of amplitude, chemical shift, apparent relaxation time, and phase by wavelet-transform analysis[J]. Journal of Magnetic Resonance, 1997, 124(1): 20-34.
[6]	ALSBERG B K. Multiscale cluster analysis[J]. Anal Chem, 1999, 71(15): 3092-3100.
[7]	郑小萍，莫金垣，蔡沛祥. 样条小波变换用于分辨重叠伏安峰的研究[J]. 中国科学B辑,1999,29(2):141-147. ZHENG Xiaoping, MO Jinyuan, CAI Peixiang. Research of spline wavelet used to the resolution of overlapping voltammetric peaks[J]. Science in China(Series B), 1999, 29(2): 141-147(in Chinese).
[8]	邵学广，蔡文生. 化学信息学[M]. 2版. 北京：科学出版社,2005：329.
[9]	王佩佩，宋晓峰，杨平. 利用基于小波特征提取的网络模型解析色谱重叠峰[J]. 计算机与应用化学,2007,24(5):673-677. WANG Peipei, SONG Xiaofeng, YANG Ping. The application of network model based on wavelet feature extraction in resolution of overlapped chromatographic peaks[J]. Computers and Applied Chemistry, 2007, 24(5): 673-677(in Chinese).
[10]	郑建斌，张红权，高鸿. 小波Fourier自去卷积法[J]. 中国科学B辑,2000,30(1):21-27. ZHENG Jianbin, ZHANG Hongquan, GAO Hong. Wavelet and Fourier self-deconvolution method[J]. Science in China(Series B), 2000, 30(1): 21-27(in Chinese).
[11]	刘伟，王勇明，潘忠孝, 等. 小波神经网络用于钼和钨的同时测定[J]. 分析化学,1997,25(10):1189-1191. LIU Wei, WANG Yongmin, PAN Zhongxiao etl. Simultaneous determination of Molybdemum and Tungsten using wavelet neural network[J]. Chinese Journal of Analytical Chemistry, 1997, 25(10): 1189-1191(in Chinese).
[12]	MADDAMS W F. The scope and limitations of curve fitting[J]. Applied Spectroscopy, 1980, 34(3): 245-266.
[13]	VANDEGINSTE B G M. DE GALAN L. Critical evaluation of curve fitting in infrared spectrometry[J]. Anal Chem, 1975, 47(13): 2124-2132.
[14]	ANDERSON A H, GIBB TC, LITTLEWOOD A B. Computer analysis of unresolved nonGaussian gas chromatograms by curve fitting[J]. Anal Chem, 1970, 42(4): 434-440.
[15]	徐长发，李国宽. 实用小波方法[M]. 3版. 武汉：华中科技大学出版社,2009：47-51.
[16]	李翔. 基于小波分析的测量信号处理技术研究[D]. 哈尔滨：哈尔滨工业大学,2009.
[17]	MALLAT S, HWANG W L. Singularity detection and processing with wavelets[J]. IEEE Trans Information Theory, 1992, 38(2): 617-643.
[18]	MEYER Y. Proceedings of the international conference marseille[C]. France(1989), RMA20. 1992.
[19]	胡广书. 现代信号处理教程[M]. 北京：清华大学出版社,2004.
[20]	林树昌，曾泳淮. 分析化学（仪器分析部分）[M]. 北京：高等教育出版社,1993：359-365.

施引文献

资源附件(0)

计量

文章访问数: 882
HTML全文浏览量: 0
PDF下载量: 878
被引次数: 0

基于小波变换的便携式质谱重叠峰解析方法研究

计量

出版历程

Research of Portable Mass Spectrometer Overlapped Peak Resolution Method Based on Wavelet Transform

计量

出版历程

目录