【摘要】：針對(duì)飛行時(shí)間質(zhì)譜儀(TOF-MS)定量分析過(guò)程中存在的同質(zhì)峰干擾問(wèn)題,提出了一種譜峰分離的處理方法。首先,根據(jù)"TOF-MS質(zhì)量數(shù)相近的譜峰,其形態(tài)也相似"的特點(diǎn),通過(guò)高斯曲線與質(zhì)譜數(shù)據(jù)的相關(guān)運(yùn)算尋找單峰位置,再按照幅度的"擇高棄低"原則選擇個(gè)體單峰,對(duì)其進(jìn)行疊加和歸一化處理得到特征峰。然后,由特征峰構(gòu)建功率譜密度函數(shù),按照最小原則確定重疊峰位置及幅度,從而達(dá)到譜峰分離的目的。最后,將本文方法分別與Gaussin匹配法和Lorentzian匹配法進(jìn)行了仿真比較,當(dāng)處理對(duì)稱峰(對(duì)稱系數(shù)δ=0.2)時(shí),這3種方法的效果基本一致,但當(dāng)處理非對(duì)稱峰(δ=1.6)時(shí),本文方法的效果明顯優(yōu)于后兩者。應(yīng)用實(shí)例結(jié)果表明,采用本文方法對(duì)實(shí)測(cè)29 Si和28 Si 1 H重疊譜峰進(jìn)行分離,可使分離度由0.371提升至0.519,提高39.9%,且能保持譜峰原始形態(tài)信息。
[Abstract]:In order to solve the problem of the interference of homogeneous peaks in the quantitative analysis of time-of-flight mass spectrometer (TOF-MS), a method of peak separation is proposed. First of all, according to the characteristic of "spectral peak with similar mass number of TOF-MS, its shape is similar", the position of single peak is found through the correlation operation between Gao Si curve and mass spectrum data, and then the individual single peak is selected according to the principle of "selecting height and abandoning low". The characteristic peaks are obtained by superposition and normalization. Then, the power spectral density function is constructed from the characteristic peaks, and the position and amplitude of the overlapped peaks are determined according to the minimum principle, so as to achieve the purpose of separating the spectral peaks. Finally, the simulation results of the three methods are compared with Gaussin matching method and Lorentzian matching method, respectively. When the symmetric peak (未 = 0.2) is treated, the effect of the three methods is basically the same, but when the asymmetric peak (未 = 1.6) is treated, The effect of this method is better than that of the latter two. The experimental results show that the separation of the overlapped peaks of 29 Si and 28 Si 1H measured by this method can increase the separation degree from 0.371 to 0.519, increase 39.9%, and maintain the original morphological information of the spectral peaks.
【作者單位】： 吉林大學(xué)儀器科學(xué)與電氣工程學(xué)院;中國(guó)地質(zhì)科學(xué)院地質(zhì)研究所北京離子探針中心;
【基金】：國(guó)家重大科學(xué)儀器設(shè)備開發(fā)專項(xiàng)項(xiàng)目(2011YQ050069;2011YQ05006906)
【分類號(hào)】：O657.63

【參考文獻(xiàn)】

相關(guān)期刊論文 前1條

1 李寶強(qiáng);李翠萍;黃啟斌;張眾W，

本文編號(hào)：2267794