基于小波变换的便携式质谱重叠峰解析方法研究  

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

作　　者：李宝强 李翠萍 黄启斌 张众垚 徐智 张琳 郭春涛[2] 

机构地区：[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

出　　处：《质谱学报》2015年第3期199-205,共7页Journal of Chinese Mass Spectrometry Society

基　　金：国家重点基础研究发展计划(973计划)项目(2011CB706900)资助

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%。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 over- lapped 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.

关 键 词：便携式质谱 重叠峰解析 小波变换 

分 类 号：O657.63[理学—分析化学]