Quantitative Analysis of Multicomponent Mass Spectra

机译：多组分质谱定量分析

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We present a method for the decomposition of mass spectra of gas mixtures together with the relevant calibration measurements. Only the consistent usage of calibration measurements, though noisy, provides sufficient information to overcome this otherwise highly under determined problem. For the example of the mixture of three carbon hydrates the feasibility of the procedure will be demonstrated, exploiting singular value decomposition of the cracking matrices. Knowing neither the cracking pattern nor the concentrations of the contributing molecules, the algorithm provides both in the form of expectation values together with error margins.

机译：我们提出了一种分解气体混合物质谱的方法以及相关的校准测量方法。尽管噪声很大，但只有校准测量的一致使用才能提供足够的信息来克服这种情况，否则在确定的问题上会非常严重。以三种碳水合物的混合物为例，将利用裂解基体的奇异值分解论证该方法的可行性。该算法既不知道裂化模式，也不知道起作用的分子的浓度，既以期望值的形式提供，也提供误差容限。

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来源
《Bayesian Inference and Maximum Entropy Methods in Science and Engineering》|2001年|p.155-162|共8页
会议地点 Baltimore MD(US)
作者
R. Preuss; H. Kang; T. Schwarz-Selinger; V. Dose;
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作者单位

Centre for Interdisciplinary Plasma Science, Max-Planck-Institut fuer Plasmaphysik, EURATOM Association, D-85748 Garching bei Muenchen, Germany;

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原文格式 PDF
正文语种 eng
中图分类科学、科学研究;
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2. A non-linear asymmetric error function-based least mean square approach for the analysis of multicomponent mass spectra measured by membrane inlet mass spectrometry [J] . Ketola RA., Komppa V., Kotiaho T., Rapid Communications in Mass Spectrometry: RCM . 1999,第8期

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3. QUANTITATIVE SPECTRAL ANALYSIS OF MULTICOMPONENT EQUILIBRIA [J] . Kubista M., Nygren J., Sjoback R. Analytica chimica acta . 1995,第1期

机译：多组分平衡的定量光谱分析
4. Quantitative analysis of multicomponent mass spectra [C] . R. Preuss, H. Kang, T. Schwarz-Selinger, International Workshop on Bayesian Inference and Maximum Entropy Methods in Science and Engineering . 2002

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5. Multicomponent analysis of vapor phase infrared spectra using multivariate regression methods. [D] . Qin, Deru. 1994

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6. Quantitative Determination of the Multicomponents With Overlapping Ultraviolet Spectra Using Wavelet-Packed Transform and Partial Least Squares [O] . Ling Gao, Shouxin Ren 2006

机译：小波包变换和偏最小二乘定量测定重叠紫外光谱法测定多组分
7. The quantitative analysis of sets of multicomponent time dependent spectra from decay of radionuclides / [O] . Nicholson, W. L., Brauer, F. P., joint author., 1962

机译：放射性核素衰变的多组分时间依赖谱集的定量分析/
8. THE QUANTITATIVE ANALYSIS OF SETS OF MULTICOMPONENT TIME DEPENDENT SPECTRA FROM DECAY OF RADIONUCLIDES [R] . W. L. Nicholson, J. E. Schlosser, F. P. Brauer 1962

机译：放射性核素衰变的多组分时间依赖谱集的定量分析

Quantitative Analysis of Multicomponent Mass Spectra

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