Handling techniques for channel spectra in synchrotron-based Fourier transform spectra

2013 ◽  
Vol 91 (11) ◽  
pp. 910-923 ◽  
Author(s):  
Amr Ibrahim ◽  
Adriana Predoi-Cross ◽  
Chad Povey
Keyword(s):  
Signal To Noise Ratio ◽  
Test Group ◽  
Least Square ◽  
Spectral Lines ◽  
Spectral Parameters ◽  
Synchrotron Source ◽  
Group Of Seven ◽  
Spectral Fitting ◽  
Least Square Fit ◽  
Fourier Transform Spectra

Recently, the high radiance of synchrotron sources has been used to enhance FTIR spectrometer performance. However, excessive channel spectra when synchrotron sources are used degrade the quality of retrieved spectral parameters. We have investigated seven different techniques for handling channel spectra. These techniques were used to reduce channel spectra for a test group of seven samples of CO2 mixed with air recorded using the synchrotron source at the Canadian Light Source. The increases in signal to noise ratio (SNR) of spectra handled with each technique were calculated. SNR results showed that transmission spectra, produced using synthetic background spectra with simulated channel spectra, achieved the highest SNR improvement. However, when the spectra groups were fitted using a nonlinear least square fit algorithm, the technique using channel spectra fitting produced the smallest fitting residual. Moreover, the retrieved intensities and air broadening coefficients of 21 spectral lines showed that the spectral fitting technique produced the most accurate values as compared to the HITRAN 2008 database (Rothman et al. J. Quant. Spectrosc. Radiat. Transfer, 110, 533 (2009)). Although the spectral fitting technique was accurate in retrieving spectral line parameters, applying the technique at wider spectral ranges reduced this accuracy.

Least-square refinement of structure parameters from CBED integrated intensities: application to determination of temperature factors in Y BA2CU3O7

1992 ◽  
Vol 50 (2) ◽  
pp. 1456-1457
Author(s):  
Kjersti Gjønnes ◽  
Jon Gjønnes
Keyword(s):  
Least Square ◽  
Measured Intensity ◽  
Structure Information ◽  
Accurate Temperature ◽  
Least Square Fit ◽  
Case Application ◽  
Integrated Intensities ◽  
Temperature Factors ◽  
Narrow Bands

Electron diffraction intensities can be obtained at large scattering angles (sinθ/λ ≥ 2.0), and thus structure information can be collected in regions of reciprocal space that are not accessable with other diffraction methods. LACBED intensities in this range can be utilized for determination of accurate temperature factors or for refinement of coordinates. Such high index reflections can usually be treated kinematically or as a pertubed two-beam case. Application to Y Ba2Cu3O7 shows that a least square refinememt based on integrated intensities can determine temperature factors or coordinates.LACBED patterns taken in the (00l) systematic row show an easily recognisable pattern of narrow bands from reflections in the range 15 < l < 40 (figure 1). Integrated intensities obtained from measured intensity profiles after subtraction of inelastic background (figure 2) were used in the least square fit for determination of temperature factors and refinement of z-coordinates for the Ba- and Cu-atoms.

Model Optimization and Stability of Hemoglobin Analysis in Human Soluble Blood Samples by FTIR/ATR Spectroscopy

2011 ◽  
Vol 55-57 ◽  
pp. 1168-1171
Author(s):  
Tao Pan ◽  
Ai Hong Peng ◽  
Wen Jie Huang
Keyword(s):  
Signal To Noise Ratio ◽  
Attenuated Total Reflection ◽  
Partial Least Square ◽  
Least Square ◽  
Model Optimization ◽  
Optimal Model ◽  
Blood Samples ◽  
Quantification Method ◽  
Atr Spectroscopy ◽  
Pls Method

Using Fourier transform infrared spectroscopy (FTIR), attenuated total reflection (ATR) technology and partial least square (PLS) method, the rapid quantification method of hemoglobin (HGB) in human soluble blood samples was established. Based on the distribution of samples’ HGB chemical value and absorbance on 1543 cm-1 which had the highest signal to noise ratio for HGB, all samples were divided into calibration set and prediction set for 50 times. PLS models were established for all divisions, based on the average data RMSEPAve, the stable optimal model was selected, the corresponding PLS factor, RMSEPAve and RP,Ave were 2, 6.81 g/L and 0.943 respectively.

Array design

1968 ◽  
Vol 58 (3) ◽  
pp. 977-991
Author(s):  
Richard A. Haubrich
Keyword(s):  
High Resolution ◽  
Data Processing ◽  
Least Square ◽  
Wave Number ◽  
Array Design ◽  
Least Square Fit ◽  
The Difference ◽  
Set Of Points ◽  
Array Output

abstract Arrays of detectors placed at discrete points are often used in problems requiring high resolution in wave number for a limited number of detectors. The resolution performance of an array depends on the positions of detectors as well as the data processing of the array output. The performance can be expressed in terms of the “spectrum window”. Spectrum windows may be designed by a general least-square fit procedure. An alternate approach is to design the array to obtain the largest uniformly spaced coarray, the set of points which includes all the difference spacings of the array. Some designs obtained from the two methods are given and compared.

scholarly journals S-SAD phasing on SOLEIL Beamline PROXIMA 1

2014 ◽  
Vol 70 (a1) ◽  
pp. C609-C609
Author(s):  
Patrick Gourhant ◽  
Beatriz Guimaraes ◽  
Tatiana Isabet ◽  
Sebastian Klinke ◽  
Pierre Legrand ◽  
...  
Keyword(s):  
Model Building ◽  
De Novo ◽  
Signal To Noise Ratio ◽  
Beam Line ◽  
Synchrotron Source ◽  
Combining Data ◽  
Low Energies ◽  
Sad Phasing ◽  
Multiple Sample ◽  
Data Collections

"PROXIMA 1, a beamline for macro-molecular crystallography at the 3rd generation synchrotron source SOLEIL, is equipped with a multi-circle goniometer (alpha 50 degrees) as well as a PILATUS 6M detector. These features, along with the extended energy range of the beam line towards the low energies (down to 5.5 keV) and the possibility to adapt the source size to the sample in order to optimize signal to noise ratio, have made the beam line very attractive for S-SAD phasing with more than seven examples of successful de novo phasing achieved over the last two years. The use of low energies has also proved a significant aid in assisting with MODEL building. The technical capabilities of the beam line for low energy data collections will be presented, along with a number of examples of the successful use of low wavelengths on the beam line. The importance of combining data from multiple sample orientations in order to achieve ""true multiplicity"" will be highlighted, as well as the importance of combining data from multiple crystals in order to achieve high multiplicity."

scholarly journals Smooth Signal Activity Detection in White Gaussian Noise: Application to P300 Detection

2021 ◽  
Author(s):  
Ali Mobaien ◽  
Reza Boostani ◽  
Negar Kheirandish
Keyword(s):  
Gaussian Noise ◽  
Signal To Noise Ratio ◽  
Hypothesis Test ◽  
White Gaussian Noise ◽  
Least Square ◽  
Unknown Parameters ◽  
Detection Scheme ◽  
Ml Estimation ◽  
Unknown Variance ◽  
Synthetic Datasets

<div>Abstract—In this research, we have proposed a new scheme to detect and extract the activity of an unknown smooth template in presence of white Gaussian noise with unknown variance. In this regard, the problem is considered a binary hypothesis test, and it is solved employing the generalized likelihood ratio (GLR) method. GLR test uses the maximum likelihood (ML) estimation of unknown parameters under each hypothesis. The ML estimation of the desired signal yields an optimization problem with smoothness constraint which is in the form of a conventional least square error estimation problem and can be solved optimally. The proposed detection scheme is studied for P300 elicitation from the background electroencephalography signal. In addition, to assume the P300 smoothness, two prior knowledge are considered in terms of positivity and approximate occurrence time of P300. The performance of the method is assessed on both real and synthetic datasets in different noise levels and compared to a conventional signal detection scheme without considering smoothness priors, as well as state-of-theart linear and quadratic discriminant analysis. The results are illustrated in terms of detection probability, false alarm rate, and accuracy. The proposed method outperforms the counterparts in low signal-to-noise ratio situations.</div>

scholarly journals Semi-Analytic Evaluation of 1, 2 and 3-Electron Coulomb Integrals with Gaussian Expansion of Distance Operators W= RC1-nRD1-M, RC1-Nr12-M, R12-Nr13-M

2019 ◽  
Author(s):  
Sandor Kristyan
Keyword(s):  
Gaussian Function ◽  
Approximate Solutions ◽  
Equation System ◽  
Least Square ◽  
Position Vector ◽  
Least Square Fit ◽  
Analytic Expressions ◽  
The One ◽  
Analytical Expressions ◽  
Coulomb Integrals

The equations derived help to evaluate semi-analytically (mostly for k=1,2 or 3) the important Coulomb integrals Int rho(r1)…rho(rk) W(r1,…,rk) dr1…drk, where the one-electron density, rho(r1), is a linear combination (LC) of Gaussian functions of position vector variable r1. It is capable to describe the electron clouds in molecules, solids or any media/ensemble of materials, weight W is the distance operator indicated in the title. R stands for nucleus-electron and r for electron-electron distances. The n=m=0 case is trivial, the (n,m)=(1,0) and (0,1) cases, for which analytical expressions are well known, are widely used in the practice of computation chemistry (CC) or physics, and analytical expressions are also known for the cases n,m=0,1,2. The rest of the cases – mainly with any real (integer, non-integer, positive or negative) n and m - needs evaluation. We base this on the Gaussian expansion of |r|^-u, of which only the u=1 is the physical Coulomb potential, but the u≠1 cases are useful for (certain series based) correction for (the different) approximate solutions of Schrödinger equation, for example, in its wave-function corrections or correlation calculations. Solving the related linear equation system (LES), the expansion |r|^-u about equal SUM(k=0toL)SUM(i=1toM) Cik r^2k exp(-Aik r^2) is analyzed for |r| = r12 or RC1 with least square fit (LSF) and modified Taylor expansion. These evaluated analytic expressions for Coulomb integrals (up to Gaussian function integrand and the Gaussian expansion of |r|^-u) are useful for the manipulation with higher moments of inter-electronic distances via W, even for approximating Hamiltonian.

scholarly journals The first data release of LAMOST low-resolution single-epoch spectra

2021 ◽  
Vol 21 (10) ◽  
pp. 249
Author(s):  
Zhong-Rui Bai ◽  
Hao-Tong Zhang ◽  
Hai-Long Yuan ◽  
Dong-Wei Fan ◽  
Bo-Liang He ◽  
...  
Keyword(s):  
Radial Velocity ◽  
Signal To Noise Ratio ◽  
Time Lag ◽  
Spectral Lines ◽  
Low Resolution ◽  
Signal To Noise ◽  
Data Release ◽  
Repeat Exposure ◽  
Noise Ratio ◽  
Single Epoch

Abstract LAMOST Data Release 5, covering ∼17 000 deg2 from –10° to 80° in declination, contains 9 million co-added low-resolution spectra of celestial objects, each spectrum combined from repeat exposure of two to tens of times during Oct 2011 to Jun 2017. In this paper, we present the spectra of individual exposures for all the objects in LAMOST Data Release 5. For each spectrum, the equivalent width of 60 lines from 11 different elements are calculated with a new method combining the actual line core and fitted line wings. For stars earlier than F type, the Balmer lines are fitted with both emission and absorption profiles once two components are detected. Radial velocity of each individual exposure is measured by minimizing χ 2 between the spectrum and its best template. The database for equivalent widths of spectral lines and radial velocities of individual spectra are available online. Radial velocity uncertainties with different stellar type and signal-to-noise ratio are quantified by comparing different exposure of the same objects. We notice that the radial velocity uncertainty depends on the time lag between observations. For stars observed in the same day and with signal-to-noise ratio higher than 20, the radial velocity uncertainty is below 5km s−1, and increases to 10 km s−1 for stars observed in different nights.

scholarly journals Atmospheric CO<sub>2</sub>, CH<sub>4</sub>, and CO with the CRDS technique at the Izaña Global GAW station: instrumental tests, developments, and first measurement results

2019 ◽  
Vol 12 (4) ◽  
pp. 2043-2066 ◽  
Author(s):  
Angel J. Gomez-Pelaez ◽  
Ramon Ramos ◽  
Emilio Cuevas ◽  
Vanessa Gomez-Trueba ◽  
Enrique Reyes
Keyword(s):  
Flow Rate ◽  
Random Noise ◽  
Least Square ◽  
Spatial Inhomogeneity ◽  
Inlet Pressure ◽  
Processing Scheme ◽  
Linear Relationships ◽  
Least Square Fit

Abstract. At the end of 2015, a CO2/CH4/CO cavity ring-down spectrometer (CRDS) was installed at the Izaña Global Atmosphere Watch (GAW) station (Tenerife, Spain) to improve the Izaña Greenhouse Gases GAW Measurement Programme, and to guarantee the renewal of the instrumentation and the long-term maintenance of this program. We present the results of the CRDS acceptance tests, the raw data processing scheme applied, and the response functions used. Also, the calibration results, the implemented water vapor correction, the target gas injection statistics, the ambient measurements performed from December 2015 to July 2017, and their comparison with other continuous in situ measurements are described. The agreement with other in situ continuous measurements is good most of the time for CO2 and CH4, but for CO it is just outside the GAW 2 ppb objective. It seems the disagreement is not produced by significant drifts in the CRDS CO World Meteorological Organization (WMO) tertiary standards. The more relevant contributions of the present article are (1) determination of linear relationships between flow rate, CRDS inlet pressure, and CRDS outlet valve aperture; (2) determination of a slight CO2 correction that takes into account changes in the inlet pressure/flow rate (as well as its stability over the years), and attributing it to the existence of a small spatial inhomogeneity in the pressure field inside the CRDS cavity due to the gas dynamics; (3) drift rate determination for the pressure and temperature sensors located inside the CRDS cavity from the CO2 and CH4 response function drift trends; (4) the determination of the H2O correction for CO has been performed using raw spectral peak data instead of the raw CO provided by the CRDS and using a running mean to smooth random noise in a long water-droplet test (12 h) before performing the least square fit; and (5) the existence of a small H2O dependence in the CRDS flow and of a small spatial inhomogeneity in the temperature field inside the CRDS cavity are pointed out and their origin discussed.

Microwave Spectrum and Dipole Moment of Methylenecyclobutenone

1974 ◽  
Vol 29 (10) ◽  
pp. 1498-1500 ◽  
Author(s):  
W. Czieslik ◽  
L. Carpentier ◽  
D. H. Sutter
Keyword(s):  
Dipole Moment ◽  
Electric Dipole Moment ◽  
Electric Dipole ◽  
Ground State ◽  
Stark Effect ◽  
Microwave Spectrum ◽  
Least Square ◽  
Rotational Constants ◽  
Vibrational Ground State ◽  
Least Square Fit

Abstract The microwave spectrum of Methylenecyclobutenone has been investigated in the vibrational ground state in the range of 8 to 26.5 GHz. From a least square fit of 12 lines with J ≦ 4 the rotational constants have been calculated as A =5.775664±0.000009 GHz, B = 4.312314 ± 0.000007 GHz, C = 2.467814±0.000008 GHz. The inertia defect Δ = - 0.09 amuÅ2 indicates that the molecule is planar. From Stark-effect measurements the components of the molecular electric dipole moment were obtaied as |μa| = 2.04 ± 0.02 D, |μb| = 2.70±0.03 D, |μtotal| = 3.39 ± 0.05 D.

scholarly journals Performance enhancement of MPM using SNR boosting techniques

2016 ◽  
Vol 5 (4) ◽  
pp. 115
Author(s):  
Shimaa Mamdouh ◽  
Amr Hussein ◽  
Hamdy Elmekaty
Keyword(s):  
Signal Processing ◽  
Performance Enhancement ◽  
Mimo Systems ◽  
Signal To Noise Ratio ◽  
Matrix Pencil ◽  
Doa Estimation ◽  
Least Square ◽  
Test Case ◽  
Recursive Least Square ◽  
Low Snr

Signal to noise ratio (SNR) boosting is one of the most important research areas in signal processing. The effectiveness of SNR boosting is not limited to a specific application rather, it is widely used in image processing, signal processing, cognitive radio, MIMO systems, digital beam forming, and direction of arrival (DOA) estimation …etc. In this paper, the recursive least square (RLS) and wavelet based de-noising filters are exploited for SNR boosting in DOA estimation techniques for further performance enhancement. The matrix pencil method (MPM) as an effortlessness and high resolution DOA estimation technique is taken as a test case. That is because it suffers from performance deterioration under low SNR regimes. The simulation results reveal that the MPM based RLS de-noising filter outperforms the MPM based wavelet de-noising filter and the traditional MPM in terms of mean square error (MSE) especially at low SNR regimes.

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