自适应的EEMD残余相关基线校正算法

基线校正是光谱分析的重要环节,现有算法通常需要设定关键参数,不具备自适应性。根据总体平均经验模态分解(ensemble empirical mode decomposition,EEMD)残余量特点,提出用残余量拟合光谱基线。通过残余量与信号相关性、残余量自相关和互相关性(称为残余相关准则)判断残余量是否是基线组成部分,以此为基础提出一种自适应的EEMD残余相关基线校正算法。对叠加曲线背景和线性背景的模拟光谱数据进行实验,结果显示在已知基线数学假设情况下,EEMD残余相关法逊于多项式拟合,同非线性拟合相差不多,优于小波分解。在没有光谱背景知识情况下,对真实拉曼光谱数据进行试验。经过上述方法预处理过的玉米叶片光谱采用3层BP神经网络建立与叶绿素之间预测模型,经过残余相关基线校正的模型具有最大校正相关系数和预测相关系数,最小交叉验证标准差和相对分析误差。各种基线校正方法中,残余相关基线校正对特征峰峰位、峰强和峰宽影响最小。实验表明,该算法可用于拉曼谱图基线校正,无需分析样品成分的先验知识,无需选择合适的拟合函数、拟合数据点、拟合阶次以及基函数和分解层数,也无需基线信号分布的数学假设,自适应性很强。     

A novel compression algorithm for infrared thermal image sequence based on K-means method

High resolution in space and time is becoming the new trend of thermographic inspection of equipments, therefore, the development of a fast and precise processing and data store technique of high resolution thermal image should be well studied. This article will propose a novel global compression algorithm, which will provide an effective way to improve the precision and processing speed of thermal image data. This new algorithm is based on the decay of the temperature of thermograph and the feature of thermal image morphology. Firstly, it will sort the data in space according to K-means method. Then it will employ classic fitting calculation to fit all the typical temperature decay curves. At last, it will use the fitting parameters of the curves as the parameters for compression and reconstruction of thermal image sequence to achieve the method for which the thermal image sequence can be compressed in space and time simultaneously. To validate the proposed new algorithm, the authors used two embedded defective specimens made of different materials to do the experiment. The results show that the proposed infrared thermal image sequence compression processing algorithm is an effective solution with high speed and high precision. Compared to the conventional method, the global compression algorithm is not only noise resistant but also can improve the computing speed in hundreds of times.     

Integrative fitting of absorption line profiles with high accuracy,robustness, and speed

The principle of the integrative evaluation of absorption line profiles relies on the numeric integration of absorption line signals to retrieve absorber concentrations, e.g., of trace gases. Thus, it is a fast and robust technique. However, previous implementations of the integrative evaluation principle showed shortcomings in terms of accuracy and the lack of a fit quality indicator. This has motivated the development of an advanced integrative (AI) fitting algorithm. The AI fitting algorithm retains the advantages of previous integrative implementations—robustness and speed—and is able to achieve high accuracy by introduction of a novel iterative fitting process. A comparison of the AI fitting algorithm with the widely used Levenberg–Marquardt (LM) fitting algorithm indicates that the AI algorithm has advantages in terms of robustness due to its independence from appropriately chosen start values for the initialization of the fitting process. In addition, the AI fitting algorithm shows speed advantages typically resulting in a factor of three to four shorter computational times on a standard personal computer. The LM algorithm on the other hand retains advantages in terms of a much higher flexibility, as the AI fitting algorithm is restricted to the evaluation of single absorption lines with precomputed line width. Comparing both fitting algorithms for the specific application of in situ laser hygrometry at 1,370 nm using direct tunable diode laser absorption spectroscopy (TDLAS) suggests that the accuracy of the AI algorithm is equivalent to that of the LM algorithm. For example, a signal-to-noise ratio of 80 and better typically yields a deviation of <1 % between both fitting algorithms. The properties of the AI fitting algorithm make it an interesting alternative if robustness and speed are crucial in an application and if the restriction to a single absorption line is possible. These conditions are fulfilled for the 1,370 nm TDLAS hygrometry at the aerosol and cloud chamber aerosol interactions and dynamics in the atmosphere (AIDA)—a unique large-scale facility to study atmospheric processes. The robustness of the AI fitting algorithm has been validated for typical AIDA conditions encompassing strong transmission fluctuations during the formation of droplet or ice clouds inside AIDA. Under these conditions, the stability of the AI algorithm remained virtually unaffected. Thus, the AI algorithm presents an alternative technique for a fast, reliable, and accurate online data evaluation of the humidity measurements at AIDA.     

Improved interframe registration based nonuniformity correction for focal plane arrays

In this paper, an improved interframe registration based nonuniformity correction algorithm for focal plane arrays is proposed. The method simultaneously estimates detector parameters and carries out the nonuniformity correction by minimizing the mean square error between the two properly registered image frames. A new masked phase correlation algorithm is introduced to obtain reliable shift estimates in the presence of fixed pattern noise. The use of an outliers exclusion scheme, together with a variable step size strategy, could not only promote the correction precision considerably, but also eliminate ghosting artifacts effectively. The performance of the proposed algorithm is evaluated with clean infrared image sequences with simulated nonuniformity and real pattern noise. We also apply the method to a real-time imaging system to show how effective it is in reducing noise and the ghosting artifacts.     

Study on the measurement accuracy of circular transmission line model for low-resistance Ohmic contacts on III-V wide band-gap semiconductors

The accuracy and error propagation for determining the low specific contact resistance of Ohmic contacts on III-V wide band-gap semiconductors based on the circular transmission line model have been analyzed and the validity of this method is discussed in detail. The accuracy is more susceptible to the factors including data fitting method, electrical measurement technique and contact area correction. By using the equations of the original circular transmission line model to extract the fitting parameters, the calculation accuracy is much improved and the inapplicability of the linear least-square fitting is prevented. To further improve the accuracy, a four-probe current-voltage measurement technique was adopted to reduce the parasitic series resistances and the uncertainty bound, especially for the Ohmic contact with low sheet resistance of the semiconductor. Moreover, we have studied the size effect of contact pads of patterns and demonstrated that contact area correction is necessary for the semiconductor with high sheet resistance. A comprehensive error analysis is also performed to fully understand all the impact factors on this advanced method of specific contact resistance measurement, which is benefit for device performance evaluation and failure analysis.     

一种用于计算三维视觉测量中线结构光平面的新型算法

介绍了一种基于线结构光的机器视觉测量系统的光平面计算方法.该方法采用图像减影来获取光条图像,利用Steger算法提取图像中的亚像素光条中心点,再用正交直线拟合法计算图像坐标系下的光条直线方程.通过靶标特征点的世界坐标和交比不变性,计算线结构光在靶标平面上的世界坐标点,并将这些坐标点用正交平面拟合法计算得到光平面方程.为了提高整体准确度,本文对算法进行了细节优化,给出了标定系统的设计方案和实验过程.实验结果表明,该方法具有较好的鲁棒性和较高的准确度.     

基于非均匀B样条的拉曼光谱基线校正算法

基线校正是一种常用的消除光谱荧光干扰的方法,是拉曼光谱数据处理的必要步骤之一。传统的多项式拟合基线校正算法,简单且易于实现,但是拟合阶次难以确定,灵活性较差。使用非均匀B样条代替多项式进行拟合,在保留原有算法优点的基础上,利用原始拉曼谱图的峰位置信息自适应地确定非均匀B样条的节点向量,然后以固定阶次拟合光谱基线。B样条自身具有分段光滑的特性,而计算样条节点的节点向量自适应选取算法中的峰位置信息通过使用两次具有不同母函数的连续小波变换(continuous wavelet transform, CWT)来获取,既加强了原始光谱数据与B样条算法本身的联系,也克服了传统多项式拟合的不足。为了验证本文算法的有效性,选取了甲基对硫磷和某品牌菜籽油两种被测物进行实验,并使用该算法进行了基线校正,并与两种其他的基线校正算法与进行了对比。实验结果表明,该方法利用固定的拟合阶次就能达到较好的校正效果,所需要的参数较少,校正结果不会出现过拟合或欠拟合的现象,是一种有效的拉曼光谱基线校正算法。     

Automated correction of unwanted phase jumps in reference signals which corrupt MRSI spectra after eddy current correction

A commonly applied step in the postprocessing of gradient localized proton MR spectroscopy, is correction for eddy current effects using the water signal as a reference. However, this method can degrade some of the metabolite signals, in particular if applied on proton MR spectroscopic imaging data. This artifact arises from the water reference signal in the presence of a second signal which resonates close to the main water resonance. The interference of both resonances will introduce jumps in the phase of the reference time domain signal. Using this phase for eddy current correction will result in a ringing artifact in the frequency domain of the metabolite signal over the whole frequency range. We propose a moving window correction algorithm, which screens the phase of reference signals and removes phase jumps in time domain caused by interference of signals from multiple spin systems. The phase jumps may be abrupt or gradually distributed over several time data points. Because the correction algorithm only corrects time data points which contain phase jumps, the phase is minimally disrupted. Furthermore, the algorithm is automated for large datasets, correcting only those water reference signals which are corrupted. After correction of the corrupted reference signals, normal eddy current correction may be performed. The algorithm is compared with a method which uses a low-pass filter and tested on simulated data as well as on in vivo proton spectroscopic imaging data from a healthy volunteer and from patients with a brain tumor.     

Improved Parameterization for Combined Isotopomer Analysis of Diatomic Spectra and Its Application to HF and DF

A new way of representing vibration-rotation term values for multiple isotopomers of a given electronic state of a diatomic molecule is presented which resolves problems associated with the way the conventional combined isotopomer expansion represents the atomic mass-dependent JWKB and Born-Oppenheimer breakdown correction terms. Its application to infrared and microwave data for HF and DF yields new Dunham expansion coefficients and Born-Oppenheimer breakdown correction terms for this species. This procedure is implemented in a generally available computer program for fitting to various types of data involving one or several electronic states of multiple isotopomers of a diatomic molecule. Copyright 1999 Academic Press.     

基于自动线性拟合的快速拉曼基线校正算法

近年来拉曼光谱以其无创、灵敏度高等众多优点在化学表征、生物医药、材料等领域引起广泛关注,而基线漂移的存在为后续的定性定量分析带来严重困扰,因此设计高性能的基线校准算法以提高分析结果的有效性及准确性具有重要意义。针对传统算法在批量拉曼光谱数据基线校正方面的不足,基于自动线性拟合算法提出一种快速基线校正算法以校正具有相似背景的批量拉曼光谱数据并详细阐述了该算法的核心思想以及算法实现流程。该算法首先从批量拉曼光谱数据中自动选择一条拉曼光谱数据作为基准光谱,使用自动线性拟合算法对其进行基线校准得到其基线以及分段标记点,然后利用标记点快速计算出组内其他与基准光谱具有较高相关性的拉曼光谱数据的基线,对于组内与基准光谱相关性不满足阈值要求的拉曼光谱则使用自动线性拟合算法对其进行单独基线校正,这使得算法具有具有较强的鲁棒性,可以适应复杂的拉曼光谱基线校正情形。分别使用快速基线校正算法与单独基线校正算法对多组实际拉曼光谱数据进行基线校正以对比分析算法基线校正效果,结果表明该算法可以实现对批量拉曼光谱数据的快速校正,基线校正效果良好,并且相较于单独进行基线校正算法耗时减少了30%以上,算法无参,简单易行,无需额外人工干预,是一种切实可行的批量拉曼数据自动基线校正算法。     

Phase ripple correction: theory and application

Spectral phase ripple associated with novel dispersive devices can distort broadband optical signals. We present a digital postprocessing algorithm to correct for this distortion by exploiting the static deterministic nature of the ripple. This algorithm is demonstrated with empirical data for several systems employing chirped fiber Bragg gratings (CFBGs). We employ this technique in a photonic time-stretch system incorporating CFBGs, improving the signal fidelity by 9 dB. Simulations and experiments show that this algorithm, which can be reduced to a simple interpolation and matrix multiplication, also mitigates additive noise. We see that the act of distortion correction yields signal fidelity superior to that of an ideal dispersive element.     

Validation and accuracy of software for peak synthesis in XPS

The development of a range of VAMAS format data files containing synthetic test spectra and their use in evaluating the peak fitting routines of three commercial XPS data analysis systems A, B and C, is reported. The synthetic spectra allow tests for: (1) acceptance of VAMAS formats with kinetic energy or binding energy scales that may have positive or negative abscissa increments; (2) Gaussian–Lorentzian sum or product function peaks; (3) effectiveness of Shirley background subtraction; (4) effectiveness of Tougaard background subtraction; (5) peak synthesis with partly resolved peaks with no background; and (6) peak synthesis with a Shirley background. The results show that all the data systems studied accept VAMAS format files but not all would accept both of the options of direction of scan. In addition, each data system had programming faults, some of which were later rectified.Synthetic spectra approximating the carbon 1s peaks for poly(methyl methacrylate), poly(vinyl acetate), poly(vinyl chloride) and poly(isobutylene) allow an analysis of accuracy of the fits in these tests. One full set of spectra is constructed with Gauss–Lorentz product function peaks and a second full set with Gauss–Lorentz sum function peaks since each software was designed for fitting only one of these options. The fitting of the individual peaks is only good for software using the same peak shapes as those of the data. The fit quality can deteriorate markedly for fitting to a peak shape different to that used in the peak fitting algorithm (ie fitting sum function peaks with product function software or vice versa). For unresolved peaks additional information is required to provide meaningful intensities. The three software systems studied all have different facilities but it is clear that the quality of convergence to the correct result gives a general order of preference in the fitting algorithm of B, A and C. Other aspects can favour software A which has more facilities.     

A novel, fast entropy-minimization algorithm for bias field correction in MR images

A novel, fast entropy-minimization algorithm for bias field correction in magnetic resonance (MR) images is suggested to correct the intensity inhomogeneity degradation of MR images that has become an increasing problem with the use of phased-array coils. Four important modifications were made to the conventional algorithm: (a) implementation of a modified two-step sampling strategy for stacked 2D image data sets, which included reducing the size of the measured image on each slice with a simple averaging method without changing the number of slices and then using a binary mask generated by a histogram threshold method to define the sampled voxels in the reduced image; (b) improvement of the efficiency of the correction function by using a Legendre polynomial as an orthogonal base function polynomial; (c) use of a nonparametric Parzen window estimator with a Gaussian kernel to calculate the probability density function and Shannon entropy directly from the image data; and (d) performing entropy minimization with a conjugate gradient method. Results showed that this algorithm could correct different types of MR images from different types of coils acquired at different field strengths very efficiently and with decreased computational load.     

低能X射线工业CT图像杯状伪影校正

为了去除X射线工业CT图像中的杯状伪影,提高CT图像的识别能力和量化分析精度,提出一种基于分度投影和权函数的射束硬化校正方法。首先分析得出杯状伪影主要是由X射线连续谱穿过被测物体过程中出现的射束硬化所导致。然后扫描阶梯模型,采集不同厚度下的投影数据并求出线衰减系数,通过拟合曲线,得到硬化模型函数和权函数校正模型函数,并确定权函数。接着,扫描被测圆柱形工件,采集不同分度下的投影数据。最后,针对每一个分度投影数据,采用权函数与当前分度投影数据乘积的方法进行硬化校正。对含有杯状伪影的实际CT图像进行了校正实验,结果表明,与多项式拟合法相比,该方法校正后的灰度图像没有放大噪声,且信噪比提高3.29%,有效地消除了杯状伪影,同时较好地保留了图像边界细节。     

Renormalization group estimate of the hadronic decay width of the Higgs boson

The total hadronic decay width of the Weinberg-Salam type Higgs boson is estimated in QCD for the Higgs boson mass much larger than the ordinary hadronic mass scale, by use of the operator product expansion and renormalization group equation. We give an explicit formula for the decay width in terms of quark masses including strong interaction corrections up to the next-to-leading order. A numerical analysis of the hadronic decay width of the Higgs boson is made in the six-quark model. The next-to-leading order correction is found to be significant, e.g., 30-20% of the leading term for m_H of oue interest, m_H ? 1 TeV. Application of our scheme to the decay rates of heavy Higgs bosons of other types is also discussed.     

Correction of spatially dependent phase shifts for partial Fourier imaging

Partial Fourier MR images (PFI) are constructed from data that have fewer phase encoding views than are conventionally acquired using direct Fourier transform spin echo acquisition. The PFI data acquisition is structured to obtain the same spatial resolution as conventional acquisition, trading off signal-to-noise reduction for acquisition time improvement. The "missing" views can be zero filled or, if the data are Hermitian, supplied by symmetry (basic algorithm). The effect of spatially dependent phase shifts (SDPS) on PFI constructed with zero-fill or the basic algorithm is illustrated. The causes and typical magnitudes of such SDPS are discussed. In spin echo data only the low order, slowly varying SDPS, is shown to be significant. Through use of simulated and actual data sets these typical SDPS are shown to produce significant artifacts in PFI, when the amount of missing data is close to one-half. The artifacts are reduced when less data are missing. Good images can be generated with the zero-fill algorithm if less than 25% of the data is missing. Several methods of correcting phase shifts in PFI are developed: the basic Hermitian algorithm with frequency (x) direction correction (BAX), basic Fourier correction algorithm (BFC) and an improved iterative Fourier correction algorithm (IFC). The BFC and IFC can produce good images when as much as 46% of the data is missing. Data with rapidly varying SDPS, for example, gradient refocused data, make the phase correction task more difficult. With less than 25% of the data missing, however, acceptable gradient refocused PFI images can be created.     

核磁共振谱图自动相位校正新方法——等密度点连线法

文中提出一种新的基于DISPA圆的自动相位校正方法,该方法利用谱峰两侧在复平面上数据疏密程度相等的点的连线的斜率,求出每个峰的相位角, 继而利用多个峰的相角与频率的线性关系得出准确的全谱相位的零级和一级校正值. 该方法不需要使用全部峰点,而且对于存在基线畸变和有重叠峰的谱图都能较好的处理. 该算法不需要迭代计算,实现简单,计算快速准确,已将其成功运用于自行开发的核磁共振数据处理软件ECNMR中.     

Meteorological correction of optical beam refraction

A theoretical algorithm is presented for correction of the regular component of atmospheric refraction for various types of hydrostatic stability of the atmospheric layer adjacent to the earth. Dispersion of the random component is also calculated for various models of the atmosphere. The algorithm obtained is compared to regression equations obtained by processing an experimental data base. It is shown that within admissible accuracy limits the refraction correction algorithm obtained herein permits construction of correction tables and design of optical systems with programmable correction for atmospheric refraction on the basis of rapid meteorological measurements.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 8, pp. 51–56, August, 1985.     

A New Piecewise Approach for Nonuniformity Correction in IRFPA

Considering different detector in IRFPA has different nonlinear response characteristic, a novel piecewise linear connection scheme for nonuniformity correction in IRFPA is proposed in this paper. Comparing to the widely used piecewise linear correction, the proposed scheme tries to find the n-segment piecewise straight-line which strives for going near (not always through) all available calibration points, rather than just passes through some n + 1 calibration points. Since each detector's output is corrected to the expected correction value as near as possible, the new scheme can achieve better NUC performance within the whole calibration range than that of the old one. The comparison experiment with simulated data and real IRFPA infrared data shows that the performance of this approach is more perfect than that of the old piecewise linear algorithm.     

Structural fitting of PISEMA spectra of aligned proteins

An algorithm for fitting protein structures to PISEMA spectra is described, and its application to helical proteins in aligned samples is demonstrated using both simulated and experimental results. The formulation of the algorithm in terms of rotation operators yields compact recursion relations that provide a fast and effective way of obtaining peptide plane orientations from chemical and torsion angle constraints. The algorithm in combination with experimental solid-state NMR data results in a method for determining the backbone structures of proteins, since it yields the orientation of a helix as a whole, including its tilt and twist angles, and describes kinks and curves with atomic resolution. Although the algorithm can be applied in an "assignment-free" manner to spectra of uniformly labeled proteins, the precision of the structural fitting is improved by the addition of assignment information, for example the identification of resonances by residue type from spectra of selectively labeled proteins.