• Title/Summary/Keyword: least-squares methods

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Study of Prediction Model Improvement for Apple Soluble Solids Content Using a Ground-based Hyperspectral Scanner (지상용 초분광 스캐너를 활용한 사과의 당도예측 모델의 성능향상을 위한 연구)

  • Song, Ahram;Jeon, Woohyun;Kim, Yongil
    • Korean Journal of Remote Sensing
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    • v.33 no.5_1
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    • pp.559-570
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    • 2017
  • A partial least squares regression (PLSR) model was developed to map the internal soluble solids content (SSC) of apples using a ground-based hyperspectral scanner that could simultaneously acquire outdoor data and capture images of large quantities of apples. We evaluated the applicability of various preprocessing techniques to construct an optimal prediction model and calculated the optimal band through a variable importance in projection (VIP)score. From the 515 bands of hyperspectral images extracted at wavelengths of 360-1019 nm, 70 reflectance spectra of apples were extracted, and the SSC ($^{\circ}Brix$) was measured using a digital photometer. The optimal prediction model wasselected considering the root-mean-square error of cross-validation (RMSECV), root-mean-square error of prediction (RMSEP) and coefficient of determination of prediction $r_p^2$. As a result, multiplicative scatter correction (MSC)-based preprocessing methods were better than others. For example, when a combination of MSC and standard normal variate (SNV) was used, RMSECV and RMSEP were the lowest at 0.8551 and 0.8561 and $r_c^2$ and $r_p^2$ were the highest at 0.8533 and 0.6546; wavelength ranges of 360-380, 546-690, 760, 915, 931-939, 942, 953, 971, 978, 981, 988, and 992-1019 nm were most influential for SSC determination. The PLSR model with the spectral value of the corresponding region confirmed that the RMSEP decreased to 0.6841 and $r_p^2$ increased to 0.7795 as compared to the values of the entire wavelength band. In this study, we confirmed the feasibility of using a hyperspectral scanner image obtained from outdoors for the SSC measurement of apples. These results indicate that the application of field data and sensors could possibly expand in the future.

The Crystal and Molecular Structure of Sodium Sulfisoxazole hexahydrate (Sodium Sulfisoxazole Hexahydrate의 결정 및 분자구조와 수소결합에 관한 연구)

  • Young Ja Park;Chung Hoe Koo
    • Journal of the Korean Chemical Society
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    • v.20 no.1
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    • pp.19-34
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    • 1976
  • The crystal structure of sodium sulfisoxazole hexahydrate, $C_{11}H_{12}N_3O_3SNa{\cdot}6H_2O$,has been determined by X-ray diffraction method. The compound crystallizes in the monoclinic space group $$P2_1}c$$ with a = 15.68(3), b = 7.70(2), c = 17.94(4)${\AA}$, ${\beta}$ = $118(2)^{\circ}$ and Z = 4. A total of 1717 observed reflections were collected by the Weissenberg method with $CuK{\alpha}$ radiation. Structure was solved by heavy atom method and refined by block-diagonal least-squares methods to the R value of 0.14. The conformational angle formed by the S-C(l) bond with that of N(2)-C(7), when the projection in taken along the S-N(2), is $73^{\circ}.$ The benzene ring is planar and makes an angle of $60^{\circ}$ with the plane of the isoxazole ring, which is also planar. The sodium atom has a distorted octahedral coordination of N(l) and five oxygen atoms from hydrate molecules. Sodium sulfisoxazole hexahydrate shows fourteen different hydrogen bondings in the crystal. These are six $O-H{\cdots}O-H bonds, three $O-H{\cdots}O$ bonds, two $O-N{\cdots}N,$ one $N-H{\cdots}O,O-H{\cdots}N,N-H{\cdots}O-H$ bond, with the distances in the range of 2.71 to $3.04{\AA}.$.

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DETERMINATION OF MOISTURE AND NITROGEN ON UNDRIED FORAGES BY NEAR INFRARED REFLECTANCE SPECTROSCOPY(NIRS)

  • Cozzolino, D.;Labandera, M.;Inia La Estanzuela
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1620-1620
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    • 2001
  • Forages, both grazed and conserved, provide the basis of ruminant production systems throughout the world. More than 90 per cent of the feed energy consumed by herbivorous animals world - wide were provided by forages. With such world - wide dependence on forages, the economic and nutritional necessity of been able to characterize them in a meaningful way is vital. The characterization of forages for productive animals is becoming important for several reasons. Relative to conventional laboratory procedures, Near Infrared Reflectance Spectroscopy (NIRS) offers advantages of simplicity, speed, reduced chemical waste, and more cost-effective prediction of product functionality. NIR spectroscopy represents a radical departure from conventional analytical methods, in that entire sample of forage is characterized in terms of its absorption properties in the near infrared region, rather than separate subsamples being treated with various chemicals to isolate specific components. This forces the analyst to abandon his/her traditional narrow focus on the sample (one analyte at a time) and to take a broader view of the relationship between components within the sample and between the sample and the population from which it comes. forage is usually analysed by NIRS in dry and ground presentation. Initial success of NIRS analysis of coarse forages suggest a need to better understand the potential for analysis of minimally processed samples. Preparation costs and possible compositional alterations could be reduced by samples presented to the instrument in undried and unground conditions. NIRS has gained widespread acceptance for the analysis of forage quality constituents on dry material, however little attention has been given to the use of NIRS for chemical determinations on undried and unground forages. Relatively few works reported the use of NIRS to determine quality parameters on undried materials, most of them on both grass and corn silage. Only two works have been found on the determination of quality parameters on fresh forages. The objectives of this paper were (1) to evaluate the use of NIRS for determination of nitrogen and moisture on undried and unground forage samples and (2) to explore two mathematical treatments and two NIR regions to predict chemical parameters on fresh forage. Four hundred forage samples (n: 400) were analysed in a NIRS 6500 instrument (NIR Systems, PA, USA) in reflectance mode. Two mathematical treatments were applied: 1,4,4,1 and 2,5,5,2. Predictive equations were developed using modified partial least squares (MPLS) with internal cross - validation. Coefficient of determination in calibration (${R^2}_{CAL}$) and standard error in cross-validation (SECV) for moisture were 0.92 (12.4) and 0.92 (12.4) for 1,4,4,1 and 2,5,5,2 respectively, on g $kg^{-1}$ dry weight. For crude protein NIRS calibration statistics yield a (${R^2}_{CAL}$) and (SECV) of 0.85 (19.8) and 0.85 (19.6) for 1,4,4,1 and 2,5,5,2 respectively, on a dry weight. It was concluded that NIRS is a suitable method to predict moisture and nitrogen on fresh forage without samples preparation.

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Principal Discriminant Variate (PDV) Method for Classification of Multicollinear Data: Application to Diagnosis of Mastitic Cows Using Near-Infrared Spectra of Plasma Samples

  • Jiang, Jian-Hui;Tsenkova, Roumiana;Yu, Ru-Qin;Ozaki, Yukihiro
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1244-1244
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    • 2001
  • In linear discriminant analysis there are two important properties concerning the effectiveness of discriminant function modeling. The first is the separability of the discriminant function for different classes. The separability reaches its optimum by maximizing the ratio of between-class to within-class variance. The second is the stability of the discriminant function against noises present in the measurement variables. One can optimize the stability by exploring the discriminant variates in a principal variation subspace, i. e., the directions that account for a majority of the total variation of the data. An unstable discriminant function will exhibit inflated variance in the prediction of future unclassified objects, exposed to a significantly increased risk of erroneous prediction. Therefore, an ideal discriminant function should not only separate different classes with a minimum misclassification rate for the training set, but also possess a good stability such that the prediction variance for unclassified objects can be as small as possible. In other words, an optimal classifier should find a balance between the separability and the stability. This is of special significance for multivariate spectroscopy-based classification where multicollinearity always leads to discriminant directions located in low-spread subspaces. A new regularized discriminant analysis technique, the principal discriminant variate (PDV) method, has been developed for handling effectively multicollinear data commonly encountered in multivariate spectroscopy-based classification. The motivation behind this method is to seek a sequence of discriminant directions that not only optimize the separability between different classes, but also account for a maximized variation present in the data. Three different formulations for the PDV methods are suggested, and an effective computing procedure is proposed for a PDV method. Near-infrared (NIR) spectra of blood plasma samples from mastitic and healthy cows have been used to evaluate the behavior of the PDV method in comparison with principal component analysis (PCA), discriminant partial least squares (DPLS), soft independent modeling of class analogies (SIMCA) and Fisher linear discriminant analysis (FLDA). Results obtained demonstrate that the PDV method exhibits improved stability in prediction without significant loss of separability. The NIR spectra of blood plasma samples from mastitic and healthy cows are clearly discriminated between by the PDV method. Moreover, the proposed method provides superior performance to PCA, DPLS, SIMCA and FLDA, indicating that PDV is a promising tool in discriminant analysis of spectra-characterized samples with only small compositional difference, thereby providing a useful means for spectroscopy-based clinic applications.

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PRINCIPAL DISCRIMINANT VARIATE (PDV) METHOD FOR CLASSIFICATION OF MULTICOLLINEAR DATA WITH APPLICATION TO NEAR-INFRARED SPECTRA OF COW PLASMA SAMPLES

  • Jiang, Jian-Hui;Yuqing Wu;Yu, Ru-Qin;Yukihiro Ozaki
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1042-1042
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    • 2001
  • In linear discriminant analysis there are two important properties concerning the effectiveness of discriminant function modeling. The first is the separability of the discriminant function for different classes. The separability reaches its optimum by maximizing the ratio of between-class to within-class variance. The second is the stability of the discriminant function against noises present in the measurement variables. One can optimize the stability by exploring the discriminant variates in a principal variation subspace, i. e., the directions that account for a majority of the total variation of the data. An unstable discriminant function will exhibit inflated variance in the prediction of future unclassified objects, exposed to a significantly increased risk of erroneous prediction. Therefore, an ideal discriminant function should not only separate different classes with a minimum misclassification rate for the training set, but also possess a good stability such that the prediction variance for unclassified objects can be as small as possible. In other words, an optimal classifier should find a balance between the separability and the stability. This is of special significance for multivariate spectroscopy-based classification where multicollinearity always leads to discriminant directions located in low-spread subspaces. A new regularized discriminant analysis technique, the principal discriminant variate (PDV) method, has been developed for handling effectively multicollinear data commonly encountered in multivariate spectroscopy-based classification. The motivation behind this method is to seek a sequence of discriminant directions that not only optimize the separability between different classes, but also account for a maximized variation present in the data. Three different formulations for the PDV methods are suggested, and an effective computing procedure is proposed for a PDV method. Near-infrared (NIR) spectra of blood plasma samples from daily monitoring of two Japanese cows have been used to evaluate the behavior of the PDV method in comparison with principal component analysis (PCA), discriminant partial least squares (DPLS), soft independent modeling of class analogies (SIMCA) and Fisher linear discriminant analysis (FLDA). Results obtained demonstrate that the PDV method exhibits improved stability in prediction without significant loss of separability. The NIR spectra of blood plasma samples from two cows are clearly discriminated between by the PDV method. Moreover, the proposed method provides superior performance to PCA, DPLS, SIMCA md FLDA, indicating that PDV is a promising tool in discriminant analysis of spectra-characterized samples with only small compositional difference.

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The Use of Near Infrared Reflectance Spectroscopy (NIRS) for Broiler Carcass Analysis

  • Hsu, Hua;Zuidhof, Martin J.;Recinos-Diaz, Guillermo;Wang, Zhiquan
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1510-1510
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    • 2001
  • NIRS uses reflectance signals resulting from bending and stretching vibrations in chemical bonds between carbon, nitrogen, hydrogen, sulfur and oxygen. These reflectance signals are used to measure the concentration of major chemical composition and other descriptors of homogenized and freeze-dried whole broiler carcasses. Six strains of chicken were analyzed and the NIRS model predictions compared to reference data. The results of this comparison indicate that NIRS is a rapid tool for predicting dry matter (DM), fat, crude protein (CP) and ash content in the broiler carcass. Males and females of six commercial strain crosses of broiler chicken (Gallus domesticus) were used in this study (6$\times$2 factorial design). Each strain was grown to 16 weeks of age, and duplicate serial samples were taken for body composition analysis. Each whole carcass was pressure-cooked, homogenized, and a representative sample was freeze-dried. Body composition determined as follows: DM by oven dried method at 105$^{\circ}C$ for 3 hours, fat by Mojonnier diethyl ether extraction, CP by measuring nitrogen content using an auto-analyzer with Kjeldhal digest and ash by combustion in a muffle furnace for 24 hour at 55$0^{\circ}C$. These homogenized and freeze-dried carcass samples were then scanned with a Foss NIR Systems 6500 visible-NIR spectrophotometer (400-2500nm) (Foss NIR Systems, Silver Spring, MD., US) using Infra-Soft-International, ISI, WinISl software (ISI, Port Matilda, US). The NIRS spectra were analyzed using principal component (PC) analysis. This data was corrected for scatter using standard normal “Variate” and “Detrend” technique. The accuracy of the NIRS calibration equations developed using Partial Least Squares (PLS) for predicting major chemical composition and carcass descriptors- such as body mass (BM), bird dry matter and moisture content was tested using cross validation. Discrimination analysis was also used for sex and strain identification. According to Dr John Shenk, the creator of the ISI software, the calibration equations with the correlation coefficient, $R^2$, between reference data and NIRS predicted results of above 0.90 is excellent and between 0.70 to 0.89 is a good quantifying guideline. The excellent calibration equations for DM ($R^2$= 0.99), fat (0.98) and CP (0.92) and a good quantifying guideline equation for ash (0.80) were developed in this study. The results of cross validation statistics for carcass descriptors, body composition using reference methods, inter-correlation between carcass descriptors and NIRS calibration, and the results of discrimination analysis for sex and strain identification will also be presented in the poster. The NIRS predicted daily gain and calculated daily gain from this experiment, and true daily gain (using data from another experiment with closely related broiler chicken from each of the six strains) will also be discussed in the paper.

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The association between vegetable intake and marital status in Korean adults aged 30 years and over: based on the 2007~2010 Korea National Health and Nutrition Examination Survey (30세 이상 한국성인의 결혼상태와 채소섭취와의 연관성 분석: 2007~2010년 국민건강영양조사 자료를 이용하여)

  • Baek, Yeji;Joung, Hyojee;Shin, Sangah
    • Journal of Nutrition and Health
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    • v.48 no.2
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    • pp.192-198
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    • 2015
  • Purpose: The aim of this study was to examine associations between marital status and vegetable intake. Methods: Data were from participants 30 years and over (n = 18,190) in the 2007~2010 Korea National Health and Nutrition Examination Survey. Marital status was divided into three groups: married, never married, and separated/divorced/widowed. Vegetable intake was estimated from the twenty-four hour dietary recall. Data were analyzed using a chi-square test, analysis of covariance, least squares means, and logistic regression. Results: Married respondents tend to consume more vegetables, including kimchi, than all other marital status groups. Vegetable intake, excluding kimchi, was lowest among 30~64 year-old respondents who had never married. Elderly men (65 years and older) who were never married/separated/divorced/ widowed had significantly lower vegetable intake than elderly men who were married (p = 0.0008). When considering the Korean dietary reference intake (KDRIs), elderly men who were never married/separated/divorced/widowed, compared with elderly men who were married, had a significantly higher odds ratio for consuming fewer vegetables than the KDRIs (OR = 1.64, 95% CI: 1.13~2.37). Conclusion: The findings of this study indicate that marital status might influence vegetable intake and the probability of consuming fewer vegetables than the KDRIs. In particular, being never married/separated/divorced/ widowed might adversely affect vegetable consumption among elderly men, although assessing the causal effect of marital status from this cross-sectional study is difficult.

Mean Square Projection Error Gradient-based Variable Forgetting Factor FAPI Algorithm (평균 제곱 투영 오차의 기울기에 기반한 가변 망각 인자 FAPI 알고리즘)

  • Seo, YoungKwang;Shin, Jong-Woo;Seo, Won-Gi;Kim, Hyoung-Nam
    • Journal of the Institute of Electronics and Information Engineers
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    • v.51 no.5
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    • pp.177-187
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    • 2014
  • This paper proposes a fast subspace tracking methods, which is called GVFF FAPI, based on FAPI (Fast Approximated Power Iteration) method and GVFF RLS (Gradient-based Variable Forgetting Factor Recursive Lease Squares). Since the conventional FAPI uses a constant forgetting factor for estimating covariance matrix of source signals, it has difficulty in applying to non-stationary environments such as continuously changing DOAs of source signals. To overcome the drawback of conventioanl FAPI method, the GVFF FAPI uses the gradient-based variable forgetting factor derived from an improved means square error (MSE) analysis of RLS. In order to achieve the decreased subspace error in non-stationary environments, the GVFF-FAPI algorithm used an improved forgetting factor updating equation that can produce a fast decreasing forgetting factor when the gradient is positive and a slowly increasing forgetting factor when the gradient is negative. Our numerical simulations show that GVFF-FAPI algorithm offers lower subspace error and RMSE (Root Mean Square Error) of tracked DOAs of source signals than conventional FAPI based MUSIC (MUltiple SIgnal Classification).

Improvement of Fat Suppression and Artifact Reduction Using IDEAL Technique in Head and Neck MRI at 3T

  • Hong, Jin Ho;Lee, Ha Young;Kang, Young Hye;Lim, Myung Kwan;Kim, Yeo Ju;Cho, Soon Gu;Kim, Mi Young
    • Investigative Magnetic Resonance Imaging
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    • v.20 no.1
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    • pp.44-52
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    • 2016
  • Purpose: To quantitatively and qualitatively compare fat-suppressed MRI quality using iterative decomposition of water and fat with echo asymmetry and least-squares estimation (IDEAL) with that using frequency selective fat-suppression (FSFS) T2- and postcontrast T1-weighted fast spin-echo images of the head and neck at 3T. Materials and Methods: The study was approved by our Institutional Review Board. Prospective MR image analysis was performed in 36 individuals at a single-center. Axial fat suppressed T2- and postcontrast T1-weighted images with IDEAL and FSFS were compared. Visual assessment was performed by two independent readers with respect to; 1) metallic artifacts around oral cavity, 2) susceptibility artifacts around upper airway, paranasal sinus, and head-neck junction, 3) homogeneity of fat suppression, 4) image sharpness, 5) tissue contrast of pathologies and lymph nodes. The signal-to-noise ratios (SNR) for each image sequence were assessed. Results: Both IDEAL fat suppressed T2- and T1-weighted images significantly reduced artifacts around airway, paranasal sinus, and head-neck junction, and significantly improved homogeneous fat suppression in compared to those using FSFS (P < 0.05 for all). IDEAL significantly decreased artifacts around oral cavity on T2-weighted images (P < 0.05, respectively) and improved sharpness, lesion-to-tissue, and lymph node-to-tissue contrast on T1-weighted images (P < 0.05 for all). The mean SNRs were significantly improved on both T1- and T2-weighted IDEAL images (P < 0.05 for all). Conclusion: IDEAL technique improves image quality in the head and neck by reducing artifacts with homogeneous fat suppression, while maintaining a high SNR.

The Crystal and Molecular Structure of p-Phenylenediamine Dihydroperchlorate (p-Phenylenediamine Dihydroperchlorate의 결정 및 분자구조)

  • Ahn Choong Tai
    • Journal of the Korean Chemical Society
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    • v.21 no.5
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    • pp.320-329
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    • 1977
  • p-Phenylenediamine dihydroperchlorate, $C_6H_4N_2H_4{\cdot}2HC1O_4$, crystallizes in space group $P\={1}$ with $a=4.79{\pm}0.02,\;b=9.03{\pm}0.02,\;c=7.12{\pm}0.03{\AA},\;{\alpha}=109.4{\pm}0.2,\;{\beta}=79.6{\pm}0.2,\;r=104.6{\pm}0.2^{\circ},\;Z=1$. The structure has been solved by the Patterson and Fourier methods. The refinement by block-diagonal least-squares cycles gives R = 0.13 for 387 observed reflexions collected on equi-inclination Weissenberg photographs with CuK${\alpha}$ radiation. There are two different types of five hydrogen bonds. The first type consists of one trifurcated N${\cdot}{\cdot}{\cdot}$O hydrogen bond and the second of two normal N${\cdot}{\cdot}{\cdot}$O hydrogen bonds, both of which exist between the amino group and the perchlorate, groups. A p-phenylenediamine group is approximately planar within an experimental error and bonded to twelve perchlorates: ten perchlorates forming hydrogen bonds and two being contacted with the van der Waals forces. A perchlorate group is surrounded by six p-phenylenediamines and four perchlorates; among the six p-phenylenediamines, five of them are hydrogen-bonded, and the rest contacted with the van der Waals force.ce anaysis of our samples and investigated the variarions in the values of parameters obtained through fitting the theoretical impedance to the experimental impedance. The characters of the dielectric constant and the impedance showed abnormal variations for the 0.2 at K-doped NSBN ceramics, which we were able to interpret in terms of the variations in the number A-site vacancies with the K doping ratio. From these results, A-site vacancies are thought to be space charges that influence the ferroelectric properties of NSBN ceramics.

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