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Search results for: PARTIAL LEAST SQUARES– DISCRIMINANT ANALYSIS
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Authentication of whisky due to its botanical origin and way of production by instrumental analysis and multivariate classification methods
PublicationHeadspacemass-spectrometry (HS-MS), mid infrared (MIR) and UV–vis spectroscopywere used to authenticate whisky samples from different origins and ways of production ((Irish, Spanish, Bourbon, TennesseeWhisky and Scotch). The collected spectra were processed with partial least-squares discriminant analysis (PLS-DA) to build the classification models. In all cases the five groups ofwhiskieswere distinguished, but the best resultswere...
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Non-volatile molecular composition and discrimination of single grape white of chardonnay, riesling, sauvignon blanc and silvaner using untargeted GC–MS analysis
PublicationThis study developed and applied a GC–MS method aiming at molecular fingerprinting of 120 commercial single grape white wines (Chardonnay, Riesling, Sauvignon Blanc and Silvaner) for possible authentication according to grape variety. The method allowed detection of 372 peaks and tentative identification of 146 metabolites including alcohols, organic acids, esters, amino acids and sugars. The grape variety effect explained 8.3%...
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Comparison of an Electronic Nose Based on Ultrafast Gas Chromatography, Comprehensive Two-Dimensional Gas Chromatography, and Sensory Evaluation for an Analysis of Type of Whisky
PublicationWhisky is one of the most popular alcoholic beverages. There are many types of whisky, for example, Scotch, Irish, and American whisky (called bourbon). The whisky market is highly diversified, and, because of this, it is important to have a method which would enable rapid quality evaluation and authentication of the type of whisky. The aim of this work was to compare 3 methods: an electronic nose based on the technology of ultrafast...
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Discriminating macromolecular interactions based on an impedimetric fingerprint supported by multivariate data analysis for rapid and label-free Escherichia coli recognition in human urine
PublicationThis manuscript presents a novel approach to address the challenges of electrode fouling and highly complex electrode nanoarchitecture, which are primary concerns for biosensors operating in real environments. The proposed approach utilizes multiparametric impedance discriminant analysis (MIDA) to obtain a fingerprint of the macromolecular interactions on flat glassy carbon surfaces, achieved through self-organized, drop-cast,...
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Efficiency of linear and non-linear classifiers for gas identification from electrocatalytic gas sensor
PublicationElectrocatalytic gas sensors belong to the family of electrochemical solid state sensors. Their responses are acquired in the form of I-V plots as a result of application of cyclic voltammetry technique. In order to obtain information about the type of measured gas the multivariate data analysis and pattern classification techniques can be employed. However, there is a lack of information in literature about application of such...
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Assessment of the Bulgarian Wastewater Treatment Plants’ Impact on the Receiving Water Bodies
PublicationDeterioration of water quality is a major problem world widely according to many international non-governmental organizations (NGO). As one of the European Union (EU) countries, Bulgaria is also obliged by EU legislation to maintain best practices in assessing surface water quality and the efficiency of wastewater treatment processes. For these reasons studies were undertaken to utilize ecotoxicological (Microtox®, Phytotoxkit...
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Qualitative characteristics and comparison of volatile fraction of vodkas made from different botanical materials by comprehensive two-dimensional gas chromatography and the electronic nose based on the technology of ultra-fast gas chromatography
PublicationBACKGROUND Vodka is a spirit-based beverage made from ethyl alcohol of agricultural origin. At present, increasingly more vodka brands have labels that specify the botanical origin of the product. Until now, the techniques for distinguishing between vodkas of different botanical origin have been costly, time-consuming and insufficient for making a distinction between vodka produced from similar raw materials. Therefore, it is...
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Evaluation of Professional Demands and Financial Reward Through the Perception of Police Managers
PublicationThe aim of the study was to examine the relationship between job demands and salary in the subjective perception of mid-level police managers. An occupational stress model in which effort spent on job demands are not balanced by the received reward, was adopted. The study comprised 51 police officers (4 women). The partial least squares method was used for the analysis, and the SmartPLS 2.0 program was applied. The income and...
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Liniowe i nieliniowe modele wielowymiarowej kalibracji do predykcji stężenia substancji z pomiarów woltamperometrycznych
PublicationPomiary woltamperometryczne znajdują zastosowanie w wielu dziedzinach nauki i techniki, np. w przemyśle farmaceutycznym. Dane uzyskane w wyniku takich pomiarów zawierają informację odnośnie rodzaju i stężenia badanej substancji, jednakże są one często kłopotliwe w bezpośredniej interpretacji. Z tego powodu, istnieje konieczność wykorzystania odpowiednich metod matematycznych, które umożliwiają uzyskanie bezpośredniej i precyzyjnej...
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An electronic nose for quantitative determination of gas concentrations
PublicationThe practical application of human nose for fragrance recognition is severely limited by the fact that our sense of smell is subjective and gets tired easily. Consequen tly, there is considerable need for an instrument that can be a substitution of the human sense of smell. Electronic nose devices from the mid 1980s are used in growing number of applications. They comprise an array of several electrochemical gas sensors...
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Determination of API content in a pilot-scale blending by near-infrared spectroscopy as a first step method to process line implementation
PublicationNear infrared (NIR) spectroscopy was used for estimation of powder blend homogeneity and manufacturing control of a medicinal product powder mixture containing active pharmaceutical ingredient (API). Aiming at initiating a Process Analytical Technology (PAT) activity, the first step was a stationary mode atline evaluation. In this, the content of pharmaceutical active compound in the powder mixtures intended to the direct tabletting...
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Solvation of cobalt(II) ion in N,N-dimethylformamide-methanol mixed solvent: calorimetry and VIS spectroscopy studies
PublicationZmierzono entalpie rozpuszczania trifluorometanosulfonianów Co(II) i Na(I) w mieszaninie N,N-dimetyloformamid(DMF)-metanol(MeOH) w całym zakresie jej składu. Z danych tych wyznaczono entalpie przeniesienia jonu Co(II) i jonu trifluorometanosulfonowego. Wyniki zanalizowano za pomocą teorii solwatacji preferencyjnej. Zmierzono również widma w zakresie widzialnym roztworów jonu Co(II) w mieszaninie DMF-MeOH i zanalizowano je, stosując...
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Impact of information systems (IS) infusion on Open Government Data (OGD) adoption
PublicationPurpose – This study aims to underline the possible influence of the moderator, information systems (IS) infusion, on Open Government Data (OGD) adoption and usage. Design/methodology/approach – Using the partial least squares-structural equation modeling methodological approach, the adapted unified theory of acceptance and use of technology (UTAUT) model has been used for understanding the role of themoderating variable, namely,...
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Feasibility study of a Raman spectroscopic route to drug detection
PublicationWe present an surface-enhanced Raman spectroscopy (SERS) approach for detection of drugs of abuse in whole human blood. We utilize a near infrared laser with 830 nm excitation wavelength in order to reduce the influence of fluorescence on the spectra of blood. However, regular plasmon resonance peak of plasmonic nanoparticles, such as silver or gold fall in a much lower wavelength regime about 400 nm. Therefore, we have shifted...
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Combination of instrumental and qualitative descriptive analysis for evaluation of selected tonic waters quality features
PublicationThe combination of sensory and instrumental analysis was applied for quality assurance of selected tonic waters. The Quantitative Descriptive Analysis (QDA) in terms of fourteen sensory attributes (aroma, astringency, bite, burn, numbing, tongue heaviness, carbonation, mouth coating, sweet taste, sour taste, bitter taste, sweet aftertaste, sour aftertaste, bitter aftertaste) of selected tonic waters was performed by sensory experts....
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3D POINT-CLOUD SPATIAL EXPANSION BY TOTAL LEAST-SQUARES LINE FITTING
PublicationPoint-cloud spatial expansion (PCSE) allows the creation of a new pointcloud form that presents an alternative geometry of an entire object in a single spatial view. Spatial expansion facilitates the analysis process and introduces an additional spatial parameter describing the point cloud. An important element of the PCSE method is determining the position of the axis of symmetry of a symmetrical object: the procedure for determining...
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On noncausal weighted least squares identification of nonstationary stochastic systems
PublicationIn this paper, we consider the problem of noncausal identification of nonstationary, linear stochastic systems, i.e., identification based on prerecorded input/output data. We show how several competing weighted (windowed) least squares parameter smoothers, differing in memory settings, can be combined together to yield a better and more reliable smoothing algorithm. The resulting parallel estimation scheme automatically adjusts...
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User-assisted methodology targeted for building structure interpretable QSPR models for boosting CO2 capture with ionic liquids
PublicationTask-specific ionic liquid (IL) is an emerging class of compounds that may be environmentally friendly. Properly selected, these compounds may be green alternative to amine solutions and can replace them in post-combustion carbon dioxide (CO2) capture processes on an industrial scale. However, owing to the vast diversity of ions and their possible combinations, laboratory research is time consuming and expensive. Therefore, computational...
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Vapor correction of FTIR spectra – A simple automatic least squares approach
PublicationFTIR spectroscopy is one of the best techniques to study intermolecular interactions. However, such an application requires high quality spectra with as little noise as possible, which are often difficult to obtain. One of the main sources of unwanted interference is water vapor. Here a robust method is proposed for automatic, fast and reliable vapor correction of FTIR spectra. The presented least squares approach of vapor subtraction...
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Estimation and Prediction of Vertical Deformations of Random Surfaces, Applying the Total Least Squares Collocation Method
PublicationThis paper proposes a method for determining the vertical deformations treated as random fields. It is assumed that the monitored surfaces are subject not only to deterministic deformations, but also to random fluctuations. Furthermore, the existence of random noise coming from surface’s vibrations is also assumed. Such noise disturbs the deformation’s functional models. Surface monitoring with the use of the geodetic levelling...
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Use of a Least Squares with Conditional Equations Method in Positioning a Tramway Track in the Gdansk Agglomeration
PublicationSatellite measurement techniques have been used for many years in different types of human activity, including work related to staking out and making use of rail infrastructure. First and foremost, satellite techniques are applied to determine the tramway track course and to analyse the changes of its position during its operation. This paper proposes using the least squares with conditional equations method, known in geodesy (LSce)....
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SELECTION OF REFERENCE PLANE BY THE LEAST SQUARES FITTING METHODS
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Remarks on the convergence of an iterative method of solution of generalized least squares problem
PublicationW pracy przedstawiona jest metoda iteracyjna znajdowania regularyzowanego (w sensie Tichonowa) rozwiązania układu równań Ax=b z dowolną macierzą A. Dla danej liczby alfa i wektora g daje ona ciąg przybliżeń zbieżny do rozwiązania (w sensie najmniejszych kwadratów) tego układu. Rozwiązanie to minimalizuje odległość zbioru wszystkich rozwiązań średniokwadratowych układu Ax=b od wektora g. Podane zostało również oszacowanie szybkości...
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Using Principal Component Analysis and Canonical Discriminant Analysis for multibeam seafloor characterisation data
PublicationThe paper presents the seafloor characterisation based on multibeam sonar data. It relies on using the integrated model and description of three types of multibeam data obtained during seafloor sensing: 1) the grey-level sonar images (echograms) of seabed, 2) the 3D model of the seabed surface which consists of bathymetric data, 3) the set of time domain bottom echo envelopes received in the consecutive sonar beams. The classification...
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3d point-cloud spatial expansion by total least-squares line fitting
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Application of discriminant analysis to feature extraction.
PublicationPierwotnie uzyskiwane wektory cech są wysokowymiarowe. Redukcja wymiarowości jest często osiągana poprzez transformacje przestrzeni cech. Niniejsza praca prezentuje uogólnione kryterium Fishera i jego podstawowe własności, dyskutowana jest także możliwość wyprowadzania i oceny heurystycznych metod ekstrakcji cech. Przedstawiono również nowy sekwencyjny algorytm selekcji cech dyskryminacyjnych.
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Measurement Campaign and Mathematical Model Construction for the Ship Zodiak Magnetic Signature Reproduction
PublicationThe paper presents the partial work done within the framework of the EDA Siramis II project focused on magnetic signature reproduction of ships. Reproduction is understood here as the ability to determine the magnetic anomaly of the local Earth magnetic field in any direction and at any measurement depth due to the presence of the analysed object. The B-91 type hydrographic ship Zodiak was selected as the real case study. The work...
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Interactions between hydration spheres of two different solutes in solution: The least squares fitting with constraints as a tool to determine water properties in ternary systems
PublicationBiological systems are complex and the problem of their description lies in mutual interactions between their components. This paper is focused on model experiment-based studies which can reduce these difficulties. The ternary aqueous N-methylacetamide (NMA)–Na2HPO4 system has been studied by means of the FTIR spectroscopy. A novel difference spectra method aimed to extract the spectral contribution of water affected simultaneously...
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Use of a Least Squares with Conditional Equations Method in Positioning a Tramway Track in the Gdansk Agglomeration
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Application of the Least Squares Method to the approximation of equally spaced samples in frequency measurement approach
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Application of least squares with conditional equations method for railway track inventory using GNSS observations
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Application of Least Squares with Conditional Equations Method for Railway Track Inventory Using GNSS Observations
PublicationSatellite geodetic networks are commonly used in surveying tasks, but they can also be used in mobile surveys. Mobile satellite surveys can be used for trackage inventory, diagnostics and design. The combination of modern technological solutions with the adaptation of research methods known in other fields of science offers an opportunity to acquire highly accurate solutions for railway track inventory. This article presents the...
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Least Squares Estimators of Peptide Species Concentrations Based on Gaussian Mixture Decompositions of Protein Mass Spectra
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Weighted least squares parameter estimation for model predictive control of integrated wastewater systems at medium time scale.
PublicationW artykule przedstawione zostało sformułowanie i implementacja algorytmu ważonej sumy najmniejszych kwadratów na przesuwnym oknie pomiarowym dla celów estymacji parametrów modelu typu szara skrzynka. Model typu szara skrzynka dynamiki reaktora biologicznego jest wykorzystywany przez moduł sterowania predykcyjnego sterujący zintegrowanym systemem ściekowym w średniej skali czasu. Algorytm estymacji parametrów był walidowany na symulatorze...
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KAMIŃSKI W.: Modelowanie przemieszczeń pionowych mieszaną, ortogonalną metodą najmniejszych kwadratów (Mixed Total Least Squares)
PublicationProblematyka modelowania przemieszczeń pionowych standardową metodą najmniejszych kwadratów i mieszaną ortogonalną metodą najmniejszych kwadratów. Przykłady praktycznych obliczeń na rzeczywistych i symulowanych wynikach obserwacji.
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Prediction of near-bottom water salinity in the Baltic Sea using Ordinary Least Squares and Geographically Weighted Regression models
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Power grid frequency measurement in LabVIEW environment using the least mean squares method to signal phase approximation in the presence of noise
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Characterization and classification of hoarfrost samples collected in Poland (2003-2005) by discriminant analysis
PublicationTechnikę analizy dyskryminacyjnej wykorzystano do klasyfikacji próbek szronu (zebranych w latach 2003-2005 na terenie m.in. Gdańska, Grudziądza, Poznania) na naturalnie wyłaniające się grupy oraz by zidentyfikować parametry fizykochemiczne odpowiedzialne za podobieństwa i różnice pomiędzy poszczególnymi miejscami pobierania próbek. Aby ocenić jakość dyskryminacji zastosowano m.in. następujące kryteria: lambdę Wilksa, cząstkową...
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Construction of a picewise-linear classifier by applaing discriminant analysis to decision tree induction
PublicationArtykuł prezentuje metodę konstrukcji drzew decyzyjnych. W odróżnieniu od większości popularnych algorytmów, które wybierają pojedyncze cechy do budowy reguł decyzyjnych w węzłach drzewa, ta metoda łączy wszystkie cechy. Używa ona wieloklasowego kryterium Fishera do wydzielenia nowych cech, które są liniowa kombinacją cech pierwotnych. Takie drzewa mogą aproksymować złożone regiony decyzyjne używając mniejszej liczby węzłów w porównaniu...
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Power Grid Frequency Estimation Based on Zero Crossing Technique Using Least Squares Method to Approximate Sampled Voltage Signal Around Zero Level
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Thermodynamic and economic analysis of nuclear power unit operating in partial cogeneration mode to produce electricity and district heat
PublicationThis paper presents the methodology of techno-economic analysis for a nuclear unit operating in partial cogeneration mode and its application for the case study: a nuclear power plant planned in Poland. The research objectives were: to propose EPR, AP1000 and ESBWR nuclear condensing-extraction turbine systems modifications required for operation in cogeneration, to determine optimal heat production and heat transport line (HTL)...
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Application of linear discriminant analysis to the study of dew chemistry on the basis of samples collected in Poland (2004-2005)
PublicationTechnikę analizy dyskryminacyjnej wykorzystano do klasyfikacji próbek rosy (zebranych w okresie sierpień 2004 - październik 2005 na terenie Gdyni, Gdańska, Mławy, Sopotu, Krakowa, w których oznaczono stężenia wybranych związków nieorganicznych i organicznych) na naturalnie wyłaniające się grupy oraz by zidentyfikować parametry fizykochemiczne odpowiedzialne za podobieństwa i różnice pomiędzy poszczególnymi miejscami pobierania...
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Stochastics and Partial Differential Equations-Analysis and Computations
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Selection of the lambda parameter for DRT analysis of SrTi0.30Fe0.70O3-d oxygen electrode at 800 °C and 1% oxygen partial pressure
Open Research DataThis dataset contains results of selection of the lambda parameter for Distribution of Relaxation Times analysis results for symmetrical cell with porous SrTi0.30Fe0.70O3-d oxygen electrodes sintered at 800 °C. EIS spectra were measured at 800 °C and 1% of oxygen partial pressure. Used lambdas: 5 x 10^(-3), 1 x 10^(-3), 5 x 10^(-4) and 1 x 10^(-4)....
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Distribution of Relaxation Times analysis results of impedance of porous Sr0.86Ti0.65Fe0.35O3 oxygen electrode (sintered at 1000 °C) as a function of oxygen partial pressure at 800 °C
Open Research DataThis dataset contains results of Distribution of Relaxation Times analysis (DRT) of impedance of porous Sr0.86Ti0.65Fe0.35O3 oxygen electrode as a function of oxygen partial pressure at 800 °C. Electrode was sintered at 1000 °C and measured at different oxygen partial pressures (10% pO2, 1% pO2, 0.1% pO2).
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Electrochemical impedance spectroscopy and Distribution of Relaxation Times analysis results for porous SrTi0.30Fe0.70O3-d oxygen electrode measured at 800 °C and 15% oxygen partial pressure
Open Research DataThis dataset contains electrochemical impedance spectroscopy and Distribution of Relaxation Times analysis results for symmetrical cell with porous SrTi0.30Fe0.70O3-d oxygen electrodes sintered at 800 °C. EIS spectra were measured at 800 °C and 15% of oxygen partial pressure. Spectra of two RCPE elements from equivalent circuit , are also included....
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Electrochemical impedance spectroscopy and Distribution of Relaxation Times analysis results for porous SrTi0.30Fe0.70O3-d oxygen electrode measured at 700 °C and 15% oxygen partial pressure
Open Research DataThis dataset contains electrochemical impedance spectroscopy and Distribution of Relaxation Times analysis results for symmetrical cell with porous SrTi0.30Fe0.70O3-d oxygen electrodes sintered at 800 °C. EIS spectra were measured at 700 °C and 15% of oxygen partial pressure. Spectra of two RCPE elements from equivalent circuit , are also included....
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Electrochemical impedance spectroscopy and Distribution of Relaxation Times analysis results for porous SrTi0.30Fe0.70O3-d oxygen electrode measured at 700 °C and 100% oxygen partial pressure
Open Research DataThis dataset contains electrochemical impedance spectroscopy and Distribution of Relaxation Times analysis results for symmetrical cell with porous SrTi0.30Fe0.70O3-d oxygen electrodes sintered at 800 °C. EIS spectra were measured at 700 °C and 100% of oxygen partial pressure. Spectra of two RCPE elements from equivalent circuit , are also included....
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Electrochemical impedance spectroscopy and Distribution of Relaxation Times analysis results for porous SrTi0.30Fe0.70O3-d oxygen electrode measured at 700 °C and 20% oxygen partial pressure
Open Research DataThis dataset contains electrochemical impedance spectroscopy and Distribution of Relaxation Times analysis results for symmetrical cell with porous SrTi0.30Fe0.70O3-d oxygen electrodes sintered at 800 °C. EIS spectra were measured at 700 °C and 20% of oxygen partial pressure. Spectra of two RCPE elements from equivalent circuit , are also included....
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Electrochemical impedance spectroscopy and Distribution of Relaxation Times analysis results for porous SrTi0.30Fe0.70O3-d oxygen electrode measured at 700 °C and 5% oxygen partial pressure
Open Research DataThis dataset contains electrochemical impedance spectroscopy and Distribution of Relaxation Times analysis results for symmetrical cell with porous SrTi0.30Fe0.70O3-d oxygen electrodes sintered at 800 °C. EIS spectra were measured at 700 °C and 5% of oxygen partial pressure. Spectra of two RCPE elements from equivalent circuit , are also included. Results...