An improved algorithm for peak detection in mass spectra based on continuous wavelet transform

作者: Ying Zheng , Runlong Fan , Chunling Qiu , Zhen Liu , Di Tian

DOI: 10.1016/J.IJMS.2016.09.020

关键词:

摘要: Abstract Peak detection is an important preprocessing step in the analysis of mass spectrometry data. Currently, most peak methods have limited identification ability when there are overlapping or low-amplitude peaks. In this paper, we present improved algorithm that combines continuous wavelet transform (CWT) with crazy climber algorithm. Particles move on CWT coefficient matrix according to certain rules, and gradually gather at local maximal points. Peaks identified by drawing ridges based weighted occupation measure grid The proposed method evaluated using simulated noisy spectra real benzene nitrogen. results show approach better identifying peaks than existing methods. Receiver operating characteristic curves can detect more true while maintaining a low false discovery rate.

参考文章(15)
Jonathan Lu, Michael J. Trnka, Soung-Hun Roh, Philip J. J. Robinson, Carrie Shiau, Danica Galonic Fujimori, Wah Chiu, Alma L. Burlingame, Shenheng Guan, Improved Peak Detection and Deconvolution of Native Electrospray Mass Spectra from Large Protein Complexes Journal of the American Society for Mass Spectrometry. ,vol. 26, pp. 2141- 2151 ,(2015) , 10.1007/S13361-015-1235-6
Zhi-Min Zhang, Xia Tong, Ying Peng, Pan Ma, Ming-Jin Zhang, Hong-Mei Lu, Xiao-Qing Chen, Yi-Zeng Liang, Multiscale peak detection in wavelet space Analyst. ,vol. 140, pp. 7955- 7964 ,(2015) , 10.1039/C5AN01816A
Yong-Jie Yu, Qiao-Ling Xia, Sheng Wang, Bing Wang, Fu-Wei Xie, Xiao-Bing Zhang, Yun-Ming Ma, Hai-Long Wu, Chemometric strategy for automatic chromatographic peak detection and background drift correction in chromatographic data. Journal of Chromatography A. ,vol. 1359, pp. 262- 270 ,(2014) , 10.1016/J.CHROMA.2014.07.053
Gregory K Koyanagi, Voislav Blagojevic, Diethard K Bohme, None, Applications of extractive electrospray ionization (EESI) in analytical chemistry International Journal of Mass Spectrometry. ,vol. 379, pp. 146- 150 ,(2015) , 10.1016/J.IJMS.2015.01.011
Victor P. Andreev, Tomas Rejtar, Hsuan-Shen Chen, Eugene V. Moskovets, Alexander R. Ivanov, Barry L. Karger, A universal denoising and peak picking algorithm for LC-MS based on matched filtration in the chromatographic time domain. Analytical Chemistry. ,vol. 75, pp. 6314- 6326 ,(2003) , 10.1021/AC0301806
F. Hernández, J. V. Sancho, M. Ibáñez, E. Abad, T. Portolés, L. Mattioli, Current use of high-resolution mass spectrometry in the environmental sciences Analytical and Bioanalytical Chemistry. ,vol. 403, pp. 1251- 1264 ,(2012) , 10.1007/S00216-012-5844-7
John M. Gregoire, Darren Dale, R. Bruce van Dover, A wavelet transform algorithm for peak detection and application to powder x-ray diffraction data. Review of Scientific Instruments. ,vol. 82, pp. 015105- 015105 ,(2011) , 10.1063/1.3505103
J. S. Morris, K. R. Coombes, J. Koomen, K. A. Baggerly, R. Kobayashi, Feature extraction and quantification for mass spectrometry in biomedical applications using the mean spectrum Bioinformatics. ,vol. 21, pp. 1764- 1775 ,(2005) , 10.1093/BIOINFORMATICS/BTI254
Peng Zhang, Houqiang Li, Honghui Wang, Stephen T.C. Wong, Xiaobo Zhou, Peak Tree: A New Tool for Multiscale Hierarchical Representation and Peak Detection of Mass Spectrometry Data IEEE/ACM Transactions on Computational Biology and Bioinformatics. ,vol. 8, pp. 1054- 1066 ,(2011) , 10.1109/TCBB.2009.56