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Search results for: basis set optimisation
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ESCASA : Analytical estimation of atomic coordinates from coarse‐grained geometry for nuclear‐magnetic‐resonance ‐assisted protein structure modeling. I. Backbone and Hβ protons
PublicationA method for the estimation of coordinates of atoms in proteins from coarse-grained geometry by simple analytical formulas (ESCASA), for use in nuclear-magnetic-resonance (NMR) data-assisted coarse-grained simulations of proteins is proposed. In this paper, the formulas for the backbone Hα and amide (HN) protons, and the side-chain Hβ protons, given the Cα-trace, have been derived and parameterized, by using the interproton distances...
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Non-isolating 2-bondage in graphs
PublicationA 2-dominating set of a graph G=(V,E) is a set D of vertices of G such that every vertex of V(G)D has at least two neighbors in D. The 2-domination number of a graph G, denoted by gamma_2(G), is the minimum cardinality of a 2-dominating set of G. The non-isolating 2-bondage number of G, denoted by b_2'(G), is the minimum cardinality among all sets of edges E' subseteq E such that delta(G-E') >= 1 and gamma_2(G-E') > gamma_2(G)....
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Non-isolating bondage in graphs
PublicationA dominating set of a graph $G = (V,E)$ is a set $D$ of vertices of $G$ such that every vertex of $V(G) \setminus D$ has a neighbor in $D$. The domination number of a graph $G$, denoted by $\gamma(G)$, is the minimum cardinality of a dominating set of $G$. The non-isolating bondage number of $G$, denoted by $b'(G)$, is the minimum cardinality among all sets of edges $E' \subseteq E$ such that $\delta(G-E') \ge 1$ and $\gamma(G-E')...
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Clothes Detection and Classification Using Convolutional Neural Networks
PublicationIn this paper we describe development of a computer vision system for accurate detection and classification of clothes for e-commerce images. We present a set of experiments on well established architectures of convolutional neural networks, including Residual networks, SqueezeNet and Single Shot MultiBox Detector (SSD). The clothes detection network was trained and tested on DeepFashion dataset, which contains box annotations...
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Experimentally Aided Operational Virtual Prototyping to Predict Best Clamping Conditions for Face Milling of Large-Size Structures
PublicationVibrations occurring during milling operations are one of the main issues disturbing the pursuit of better efficiency of milling operations and product quality. Even in the case of a stable cutting process, vibration reduction is still an important goal. One of the possible solutions to obtain it is selection of the favorable conditions for clamping the workpiece to the machine table. In this paper, a method for predicting and...
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Nested Kriging Surrogates for Rapid Multi-Objective Optimization of Compact Microwave Components
PublicationA procedure for rapid EM-based multi-objective optimization of compact microwave components is presented. Our methodology employs a recently developed nested kriging modelling to identify the search space region containing the Pareto-optimal designs, and to construct a fast surrogate model. The latter permits determination of the initial Pareto set, further refined using a separate surrogate-assisted process. As an illustration,...
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Experimental Investigations On The Momentum Pressure Drop During Flow Boiling Of R134a
PublicationThe article presents experimental investigations of the pressure drop during twophase flow. Experiments were performed for both adiabatic and heated flow of R134a. Obtained flow patterns were compared with the literature. Obtained data is used to validate momentum pressure drop predictions, a set of graphs showing comparisons, for a representative set of experimental conditions, of the two-phase frictional pressure gradients for...
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Bipartite theory of graphs: outer-independent domination
PublicationLet $G = (V,E)$ be a bipartite graph with partite sets $X$ and $Y$. Two vertices of $X$ are $X$-adjacent if they have a common neighbor in $Y$, and they are $X$-independent otherwise. A subset $D \subseteq X$ is an $X$-outer-independent dominating set of $G$ if every vertex of $X \setminus D$ has an $X$-neighbor in $D$, and all vertices of $X \setminus D$ are pairwise $X$-independent. The $X$-outer-independent domination number...
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Design and Configuration of Context-aware VoIP Telephony Systems
PublicationVoice over IP is a widely used concept with regard to a realization technology of different types of telephony systems, including those that are used in enterprises. Such systems of a call procesing component and a set of desk endpoints that are pervasove from a user perspective. Those andpoints are usually not mobile, but in result can deliver a much greater set of functions needed in an everyday office work. Those functions also...
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Performance evaluation and model-based optimization of the mainstream deammonification in an integrated fixed-film activated sludge reactor
PublicationThis study aimed to model and optimize mainstream deammonification in an integrated fixed-film activated sludge (IFAS) pilot plant under natural seasonal temperature variations. The effect of gradually decreasing temperature on the performance was evaluated during a winter season and a transition period to summer conditions, and the correlation of the performance parameters was investigated using principal component analysis (PCA)....
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Electron interactions with Bis(pentamethylcyclopentadienyl) titanium(IV) dichloride and difluoride
PublicationWe present a combined experimental and theoretical study of the interaction of electrons with Bis(pentamethylcyclopentadienyl)titanium(IV) dichloride (Cp∗2TiCl2) and difluoride (Cp∗2TiF2). We report the experimental measurements of partial cross sections for the dissociative electron attachment (DEA) and the electron ionization (EI) mass spectra of isolated molecules. Estimates of the absolute cross sections are done on the basis...
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Diagnostic testing of marine propulsion systems with internal combustion engines by means of vibration measurement and results analysis
PublicationIn this paper selected issues concerning vibration diagnosis of the mechanical system within marine propulsion units have been presented, carried out on the basis of experimental examinations of a real object in which an exceedance of the allowable vibration’s level had been observed. Used diagnosing system has been characterised. A procedure of longitudinal and transverse vibrations shaft lines of the mechanical system within...
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Automatic recognition of therapy progress among children with autism
PublicationThe article presents a research study on recognizing therapy progress among children with autism spectrum disorder. The progress is recognized on the basis of behavioural data gathered via five specially designed tablet games. Over 180 distinct parameters are calculated on the basis of raw data delivered via the game flow and tablet sensors - i.e. touch screen, accelerometer and gyroscope. The results obtained confirm the possibility...
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The Prospects of Retail Payment Developments in the Metaverse
PublicationIn the age of technological development, rapid technological progress, and the metaverse development in which humans interact with each other and with the environment using virtual real-world metaphors, payment systems may also need to be re-considered. The study aims to find an answer to the question of what should be retail payments in the metaverse and to begin interdisciplinary discussions about...
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A Simple Neural Network for Collision Detection of Collaborative Robots
PublicationDue to the epidemic threat, more and more companies decide to automate their production lines. Given the lack of adequate security or space, in most cases, such companies cannot use classic production robots. The solution to this problem is the use of collaborative robots (cobots). However, the required equipment (force sensors) or alternative methods of detecting a threat to humans are usually quite expensive. The article presents...
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The ONETEP linear-scaling density functional theory program
PublicationWe present an overview of the ONETEP program for linear-scaling density functional theory (DFT) calculations with large basis set (planewave) accuracy on parallel computers. The DFT energy is computed from the density matrix, which is constructed from spatially localized orbitals we call Non-orthogonal Generalized Wannier Functions (NGWFs), expressed in terms of periodic sinc (psinc) functions. During the calculation, both the...
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Conserved motifs of MutL proteins
PublicationtThe MutL protein is best known for its function in DNA mismatch repair (MMR). However, there isevidence to suggest that MutL is not only the linker connecting the functions of MutS and MutH in MMR,but that it also participates in other repair systems, such as Very Short Patch (VSP), Base Excision (BER)and Nucleotide Excision Repair (NER). This study set out to identify the most highly conserved aminoacid sequence motifs in MutL...
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Measurement of the temporal and spatial temperature distribution on the surface of PVCP tissue phantom illuminated by laser.
Open Research DataApplication of laboratory set-up for characterisation of thermal properties of optical tissue phantoms during laser irradiation is presented. The produced system utilizes thermographic camera VIGOcam v50 and dermatological laser system with a 975 nm diode laser module. The set-up was used to perform measurements of the temporal and spatial temperature...
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Estimation of electrode contact in capacitive ECG measurement
PublicationIn the paper a method of electrode’s contact estimation in capacitive electrocardiogram (CECG) is presented. Proposed solution allows estimation of contact quality for each individual electrode. This enables construction of multi-electrode CECG systems, where electrode pairs can be selected on the basis of the individual electrode contact quality.
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Comparison of the Efficiency of Deammonification under Different DO Concentrations in a Laboratory-Scale Sequencing Batch Reactor
PublicationThe efficiency of deammonification depends on the cooperation of ammonium oxidizing bacteria and archaea (AOB/AOA), anaerobic ammonium oxidizing bacteria (AnAOB) and the effective suppression of nitrite oxidizing bacteria (NOB) that compete with AnAOB for nitrite (NO2 -N). One of the effective NOB suppression strategies is intermittent aeration. However, it is important to have a good understanding of the optimum dissolved oxygen...
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Epitaph of Bartholomew Schachmann in St. Mary's Church in Gdańsk
Open Research DataThe data set concerns epigraphy. It refers to the epitaph placed in St. Mary’s Church in Gdańsk which is dedicated to Bartholomew Schachmann, the mayor to whom Gdańsk owes, among others, the creation of the Neptune Fountain and the decoration of the Red Hall in the New Town Hall. The data set contains one general photo of the epitaph, transcription...
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Epitaph of George Wildtberger in St. Mary's Church in Gdańsk
Open Research DataThe data set concerns epigraphy. It refers to the epitaph placed in St. Mary’s Church in Gdańsk which is dedicated to George Wildtberger, personal secretary to king Sigismund III Vasa of Sweden and Poland who died on 8th of February 1593 in Gdańsk. The data set contains one general photo of the epitaph, transcription of its text in Latin, its Polish...
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Magnetic signatures of land vehicles
PublicationThe results of numerical simulations of the magnetic field surrounding of land vehicles' models have been presented in this paper. Vehicle containing of ferromagnetic elements distorts the Earth's magnetic field. This distortion can be measured by magnetometers. It is possible to detect and identify an object on the basis of its magnetic signature.
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The influence of SVC on the progress of voltage collapse
PublicationThe article presents the simulation concerning the cooperation of SVC circuit with a generative set in time, when of power system reaches low values which may lead to the fall-out of generator from the synchronous operation.
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Epitaph of John Sinclair in St. Mary's Church in Gdańsk
Open Research DataThe data set concerns epigraphy. It refers to the epitaph placed in St. Mary’s Church in Gdańsk, which is dedicated to John Sinclair, an Scottish nobleman, the 6th count of Caithness. He was general and from 1716 was chief commandant of the defenses in Gdańsk. He died in 1731 in Gdańsk. Data set contains one general photo of the epitaph, transcription...
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Epitaph of Gabriel Schumann and his son Gabriel in St. Mary's Church in Gdańsk
Open Research DataThe data set concerns epigraphy. It refers to the epitaph placed in St. Mary’s Church in Gdańsk, that is dedicated to Gabriel Schumann, a noble citizen of Gdańsk, who was a juror and finally councilor of Gdańsk, and his son Gabriel, who was not only juror and councilor, but also a city treasurer. Data set contains one general photo of the epitaph, transcription...
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Robustly feasible integral LQ-MPC controller for output tracking in constrained linear systems
PublicationW pracy rozważany jest regulator predykcyjny typu dual-mode MPC z liniowo kwadratowym wskaźnikiem jakości w aplikacji do krzepkiego śledzenia wyjść liniowego obiektu dyskretnego w obecności addytywnych zakłóceń. W celu zapewnienia dopuszczalności sterowań regulatora wykorzystano teorię zbiorów niezmienniczych. W celu polepszenia śledzenia wyjść i odrzucenia zakłóceń w regulatorze wykorzystano działanie całkujące (integral control)....
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Interactions using passive optical proximity detector
PublicationIn this paper we evaluated the possible application of a passive, optical sensor as an interface for human-smart glasses interactions. The designed proximity sensor is composed of set of photodiodes and the appropriate hardware and software components. First, experiments were performed for the estimations of such parameters as distance to an object, its width and velocity. Achieved results were satisfactory. Therefore, next, a...
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Active Learning Based on Crowdsourced Data
PublicationThe paper proposes a crowdsourcing-based approach for annotated data acquisition and means to support Active Learning training approach. In the proposed solution, aimed at data engineers, the knowledge of the crowd serves as an oracle that is able to judge whether the given sample is informative or not. The proposed solution reduces the amount of work needed to annotate large sets of data. Furthermore, it allows a perpetual increase...
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Discovering Rule-Based Learning Systems for the Purpose of Music Analysis
PublicationMusic analysis and processing aims at understanding information retrieved from music (Music Information Retrieval). For the purpose of music data mining, machine learning (ML) methods or statistical approach are employed. Their primary task is recognition of musical instrument sounds, music genre or emotion contained in music, identification of audio, assessment of audio content, etc. In terms of computational approach, music databases...
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Text Mining Algorithms for Extracting Brand Knowledge; The fashion Industry Case
PublicationBrand knowledge is determined by customer knowledge. The opportunity to develop brands based on customer knowledge management has never been greater. Social media as a set of leading communication platforms enable peer to peer interplays between customers and brands. A large stream of such interactions is a great source of information which, when thoroughly analyzed, can become a source of innovation and lead to competitive advantage....
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Analysis of Position Calculating Methods in Indoor Environment
PublicationIn the paper a modified gradient method has been proposed for position calculation on basis of distance measurement in indoor environment. It is shown that the well-known Chan method of position calculation is inefficient in indoor circumstances. Author presents Chan and modified gradient methods and achieved results for each one for real measurements.
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Epitaph of Edward Blemke in St. Mary's Church in Gdańsk
Open Research DataThe data set concerns epigraphy. It refers to the epitaph placed in St. Mary’s Church in Gdańsk, that is dedicated to Edward Blemke, a citizen of Gdańsk who was in city council as a juror, almost till his death in 1593. The epitaph, made in 1591, is one of the greatest and the most beautiful in the whole basilica. Data set contains one general photo...
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Epitaph of George Hojer in St. Mary's Church in Gdańsk
Open Research DataThe data set concerns epigraphy. It refers to the epitaph placed in St. Mary’s Church in Gdańsk, that is dedicated to George Hojer, a citizen of Stralsund, who was travelling all over the Europe and unexpectedly died in Gdańsk in 1585 at the age of 25 during his way back home from Riga. Data set contains one general photo of the epitaph, transcription...
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AITP - AI Thermal Pedestrians Dataset
Open Research DataAITP is a pedestrian detection dataset consisting of 9178 annotated thermal images. The training set contains 7801 images on which15448 pedestrians were labeled. The test set has 1377 images on which 2731 objects were marked. All images are in PNG file format (120x160) captured with FLIR Lepton Thermal Camera on the streets of Gdańsk, Poland. All pedestrians...
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Sepulchral plate of James von Werden in St. Mary's Church in Gdańsk
Open Research DataThe data set concerns epigraphy. It refers to the It refers to the sepulchral plate placed in St. Mary’s Church in Gdańsk which is dedicated to James von Werden, a rich merchant, a provisor of St. Mary Church in Gdańsk, father of Mayor John von Werden, a founder of this sepulchral plate. The data set contains one general photo of the sepulchral plate,...
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Photomonitoring of activities carried out as part of prototyping and implementation of the pilot project in the area of the "Polanki" market and its direct neighbourhood, in the Gdańsk-Oliwa district, step1; stage from July 2020 year.
Open Research DataThe data presents photomonitoring (visual documentation report in the form of photographs) of activities carried out as a part of prototyping and implementation of the pilot project in the area of the “Polanki” market and its immediate vicinity in the Gdańsk-Oliwa district documented in July 2020 year, during the 1st step of the monitoring. The monitoring...
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Photomonitoring of activities carried out as part of prototyping and implementation of the pilot project in the area of the "Polanki" market and its direct neighbourhood, in the Gdańsk-Oliwa district, step1; stage from August 2020 year.
Open Research DataThe data presents photomonitoring (visual documentation report in the form of photographs) of activities carried out as a part of prototyping and implementation of the pilot project in the area of the “Polanki” market and its immediate vicinity in the Gdańsk-Oliwa district documented in August 2020 year, during the 1st step of the monitoring. The monitoring...
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Monitoring of activities carried out as part of prototyping and implementation of the pilot project in the area of the "Polanki" market and its and its direct neighbourhood, in the Gdańsk-Oliwa district, step1; stage from October 2020 year.
Open Research DataThe data presents tabular monitoring lists (quantitative and qualitative documentation report in the form of tables) of activities carried out as part of prototyping and implementation of the pilot project in the area of the Polanki market and its immediate vicinity in the Gdańsk-Oliwa district in 2020 year - step 1, stage from July 2020. The monitoring...
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Monitoring of activities carried out as part of prototyping and implementation of the pilot project in the area of the "Polanki" market and its direct neighbourhood, in the Gdańsk-Oliwa district, step1; stage from July 2020 year.
Open Research DataThe data presents tabular monitoring lists (quantitative and qualitative documentation report in the form of tables) of activities carried out as part of prototyping and implementation of the pilot project in the area of the Polanki market and its immediate vicinity in the Gdańsk-Oliwa district in 2020 year - step 1, stage from July 2020. The monitoring...
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Monitoring of activities carried out as part of prototyping and implementation of the pilot project in the area of the "Polanki" market and its and its direct neighbourhood, in the Gdańsk-Oliwa district, step1; stage from September 2020 year.
Open Research DataThe data presents tabular monitoring lists (quantitative and qualitative documentation report in the form of tables) of activities carried out as part of prototyping and implementation of the pilot project in the area of the Polanki market and its immediate vicinity in the Gdańsk-Oliwa district in 2020 year - step 1, stage from September 2020. The monitoring...
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Monitoring of activities carried out as part of prototyping and implementation of the pilot project in the area of the "Polanki" market and its and its direct neighbourhood, in the Gdańsk-Oliwa district, step1; stage from August 2020 year.
Open Research DataThe data presents tabular monitoring lists (quantitative and qualitative documentation report in the form of tables) of activities carried out as part of prototyping and implementation of the pilot project in the area of the Polanki market and its immediate vicinity in the Gdańsk-Oliwa district in 2020 year - step 1, stage from August 2020. The monitoring...
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Photomonitoring of activities carried out as part of prototyping and implementation of the pilot project in the area of the "Polanki" market and its direct neighbourhood, in the Gdańsk-Oliwa district, step1; stage from October 2020 year.
Open Research DataThe data presents photomonitoring (visual documentation report in the form of photographs) of activities carried out as a part of prototyping and implementation of the pilot project in the area of the “Polanki” market and its immediate vicinity in the Gdańsk-Oliwa district documented in October 2020 year, during the 1st step of the monitoring. The monitoring...
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Photomonitoring of activities carried out as part of prototyping and implementation of the pilot project in the area of the "Polanki" market and its direct neighbourhood, in the Gdańsk-Oliwa district, step1; stage from September 2020 year.
Open Research DataThe data presents photomonitoring (visual documentation report in the form of photographs) of activities carried out as a part of prototyping and implementation of the pilot project in the area of the “Polanki” market and its immediate vicinity in the Gdańsk-Oliwa district documented in September 2020 year, during the 1st step of the monitoring. The...
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Local variance factors in deformation analysis of non-homogenous monitoring networks
PublicationThis paper proposes a modification of the classical deformation analysis algorithm for non-homogeneous (e.g. linear-angular) monitoring networks. The basis for the proposed solution is the idea of local variance factors. The theoretical discussion was complemented with an example of its application on a simulated horizontal monitoring network. The obtained results confirm the usefulness of the proposed solution.
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Recognition of input items to the logistic operations in accommodation services
PublicationIn this study the authors set themselves the aim to analyze the elements of the entrance to the accommodation services in terms of logistics. Therefore, providers of this type of services were examined. This allowed to carry out analyses also with including the variety of accommodation services
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Bożena Kostek prof. dr hab. inż.
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Epitaph of George Posse in St. Mary's Church in Gdańsk
Open Research DataData set concerns epigraphy. It refers to the epitaph placed in St. Mary’s Church in Gdańsk, that is dedicated to George Posse, a Swedish nobleman who came to Poland with the king of Sweden and Poland – Sigismund III Vasa, and died in Gdańsk on 8th of March 1616. The epitaph was erected by his son Gabriel. Data set contains one general photo of the...
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Epitaph of Anna and Daniel Zierenberg in St. Mary's Church in Gdańsk
Open Research DataThe data set concerns epigraphy. It refers to the epitaph placed in St. Mary’s Church in Gdańsk, that is dedicated to Anna and Daniel Zierenberg. Daniel was particularly interested in activities for the education of Gdańsk and was one of those mayors who in 1596 established the foundation called Bibliotheca Senatus Gedanensis (today PAN BG). Data set...
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Epitaph of Choene-Jaski family in St. Mary's Church in Gdańsk
Open Research DataThe data set concerns epigraphy. It refers to the epitaph placed in St. Mary’s Church in Gdańsk, that is dedicated to family Chöne-Jaski, that came to Poland from Moldavia at the beginning of XVI century and was engaged in trade in amber. Later on, the representatives of the family were in city council as jurors, councilors, judges and city treasurers....