Analysis of the probability distribution method for spectrum decomposition

The probability distribution method provides a new way for spectrum deconvolution, that is especially applicable in the case of poor counting statistics. Here it has been compared with the conventional least-squares curve-fitting method. A large number of spectrum regions of a few channels were generated to simulate a spectrum containing a low intensity peak on low background, and were evaluated by both methods, to establish which method provides an unbiased estimate of the peak area in the cases examined, and on what conditions.     

Dynamic mechanical and dielectric relaxations in poly(monoethylphenyl itaconate)

Dynamic mechanical and dielectric relaxational behavior of poly(monoethylphenyl itaconate) at different frequencies and temperatures was studied. Three relaxation zones are found. The dynamic mechanical response is dominated by a relaxation peak at room temperature, labeled β relaxation. Two prominent shoulders labelled as γ and α relaxations are observed. Because of the overlapping of the α and γ with the β relaxation, a deconvolution method to improve the understanding of these phenomena is proposed. In spite of the complexity of the experimental spectra, the proposed deconvolution method seems to be a convenient approach to interpret the relaxational behavior of this polymer. © 1997 John Wiley & Sons, Inc. J Polym Sci B: Polym Phys 35: 2749–2756, 1997     

Automatic assignment of 1H‐NMR spectra of small molecules

A novel data‐evaluation procedure for the automatic atom to peak or multiplet assignment of ¹H‐NMR spectra of small molecules has been developed using a fast and robust expert system. The applicability and reliability of the method are demonstrated by comparison of a manually assigned database of ¹H‐NMR spectra with the assignments produced by the automatic procedure. The results of this analysis show an excellent success ratio, indicating that this new algorithm can have a major impact as a time saving tool for the organic chemist. A new graphical feature used to illustrate both the stability and quality of the elementary assignments is also introduced. Copyright © 2013 John Wiley & Sons, Ltd.     

Evaluation of deconvolution modelling applied to numerical combustion

A possible modelling approach in the large eddy simulation (LES) of reactive flows is to deconvolve resolved scalars. Indeed, by inverting the LES filter, scalars such as mass fractions are reconstructed. This information can be used to close budget terms of filtered species balance equations, such as the filtered reaction rate. Being ill-posed in the mathematical sense, the problem is very sensitive to any numerical perturbation. The objective of the present study is to assess the ability of this kind of methodology to capture the chemical structure of premixed flames. For that purpose, three deconvolution methods are tested on a one-dimensional filtered laminar premixed flame configuration: the approximate deconvolution method based on Van Cittert iterative deconvolution, a Taylor decomposition-based method, and the regularised deconvolution method based on the minimisation of a quadratic criterion. These methods are then extended to the reconstruction of subgrid scale profiles. Two methodologies are proposed: the first one relies on subgrid scale interpolation of deconvolved profiles and the second uses parametric functions to describe small scales. Conducted tests analyse the ability of the method to capture the chemical filtered flame structure and front propagation speed. Results show that the deconvolution model should include information about small scales in order to regularise the filter inversion. a priori and a posteriori tests showed that the filtered flame propagation speed and structure cannot be captured if the filter size is too large.     

A unified balanced approach to multichannel blind deconvolution

In this paper, we explore the application of a common operator used in systems theory, viz., the delta operator, to formulate a unified theory of multichannel blind deconvolution (MBD) which is valid in both discrete and continuous time domains. Apart from providing a unified treatment of MBD problems, this formulation permits a smooth transition of the demixer from a discrete time domain to a continuous time domain when the sampling rate is high. Furthermore we give a unified treatment of a balanced parameterized state space formulation to solving the MBD problem in both discrete and continuous time domains when the number of states is unknown.     

卷积混叠信号的最小互信息量盲分离算法

本文提出了一种卷积混叠信号的盲分离算法。该算法利用当信号相互独立时互信息量最小的特性作为分离准则,应用随机梯度算法确定分离滤波器的系数,文中给出了详细的理论推导。理论分析及实验仿真证明了算法的有效性,并且算法对混合滤波器没有特殊限制     

EPR波谱拟合-傅里叶去卷积距离计算方法

在蛋白质结构与功能研究中经常需要测量和计算蛋白质分子功能基团间的距离.电子顺磁共振(Electron Paramagnetic Resonance,EPR)结合定点自旋标记(Site Directed Spin Labeling,SDSL)技术已成为测量蛋白质特殊位点间距离的重要方法.目前在计算距离中广泛使用的傅里叶去卷积距离计算方法(Fourier Deconvolution Distance Measurement,FDDM)在某些特殊实验条件下会产生计算误差较大或需要人为设置一些关键参数,从而影响计算结果的客观性等问题.本文在其基础上提出波谱拟合-傅里叶去卷积距离计算方法(Spectrum Simulation-Fourier Deconvolution Distance Measurement,SS-FDDM),比较了SS-FDDM与FDDM方法计算距离的实用性、抗噪能力和磁场偏移修正能力等.结果表明,SS-FDDM方法能一定程度地克服原方法存在的不足,减少由谱偏移和高噪声带来的误差,使计算结果更加准确客观.利用SS-FDDM方法,对不同浓度的自由基冰冻溶液模型样品进行了实际距离计算,验证了该方法是实际可行的.     

基于目标和点扩展函数联合估计的点源目标图像近视解卷积

在传统的基于波前探测的解卷积方法中,由波前探测得到的点扩展函数被认为是精确的,并用维纳滤波进行复原,但是点扩展函数不可避免地存在误差,所以最终的复原目标图像质量不佳.为了解决该难题,提出了基于目标和点扩展函数联合估计的图像近视解卷积算法.它运用了点扩展函数和目标的先验信息,对点扩展函数和目标进行了规整和进一步约束,从而得到更优的恢复图像质量.对该方法的原理和实现过程进行了阐述,并将其运用于室内点源目标数据中.实验结果证明,与维纳滤波方法相比,该方法使图像恢复的效果得到明显改善.     

An improved deconvolution method for X-ray coded imaging in inertial confinement fusion

In inertial confinement fusion （ICF）, X-ray coded imaging is considered as the most potential means to diagnose the compressed core. The traditional Richardson-Lucy （RL） method has a strong ability to deblur the image where the noise follows the Poisson distribution. However, it always suffers from over-fitting and noise amplification, especially when the signal-to-noise ratio of image is relatively low. In this paper, we propose an improved deconvolution method for X-ray coded imaging. We model the image data as a set of independent Gaussian distributions and derive the iterative solution with a maximum-likelihood scheme. The experimental results on X-ray coded imaging data demonstrate that this method is superior to the RL method in terms of anti-overfitting and noise suppression.     

多帧短曝光图像近视解卷积

本文提出一种频域压缩多帧近视解卷积算法.首先,根据波前传感器获取的大气湍流相位估计短曝光图像的初始点扩展函数,并逐步将点扩展函数调整到准确形式.通过共轭梯度(CG)算法交替解卷积频域代价函数估计目标图像和点扩展函数,为了有效压缩信息量,将图像频谱比增加到代价函数中,同时施加基本约束保证迭代快速收敛于全局最小解,采用结构自适应滤波器(SAAF)达到消除噪声的同时保护重建图像细节.实验结果表明算法能够得到高质量的重建图像,性能优于所对比多帧Tikhonov正则化解卷积和多帧Richardson-Lucy的盲解卷积算法.