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Bank filtration models for PFAS from H2020 Project PROMISCES - Case Study 2
No full text<h2>Bank filtration models for PFAS infiltration into groundwater in Vienna and Budapest</h2>
<p>This record contains a bank filtration and groundwater transport model for modelling PFAS infiltration into the bank filtered waters at one location in Vienna and two locations in Budapest; Tahi and Surany.</p>
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<h3>Description of the models</h3>
<p>The bank filtration models are 3D physically-distributed transport models, modelled with <a href="https://www.usgs.gov/software/modflow-2005-usgs-three-dimensional-finite-difference-ground-water-model">MODFLOW 2005</a> and <a href="https://pubs.usgs.gov/publication/70189204">MT3DMS</a> (physically-based models for flow and transport, respectively), implemented in <a href="https://deltares.github.io/imod-python/examples/imod-wq/index.html">iMOD-WQ</a> (iMOD Water Quality) (Zheng & Wang 1999, Harbaugh 2005, Vermeulen et al. 2021, Vermeulen & Roelofsen, 2023). MT3DMS reads the flow field as calculated by MODFLOW and calculates the reactive PFAS transport along this flow field, which allows for transient simulation.</p>
<p><br>For employing both the 1D and 3D transport modelling approaches, a regional groundwater flow model of the entire Danube island of Szentendre in Budapest was constructed using MODFLOW 2005. This model was employed as 3D MODFLOW model consisting of 6 model layers of variable thickness with a horizontal cell size resolution of 50x50 m. The regional groundwater flow model was calibrated against head measurements in the pumping wells on the island for a monitoring period (measurements conducted between 2022-2024). This regional groundwater flow model provides the data basis as well as the boundary conditions for the two local cut-out models located at the monitored sites in Budapest (Surany and Tahi), which were further calibrated on water levels in the monitoring wells at both sites. Like their parent model, both of these models have 6 layers, but have a higher resolution of 5x5 m. The higher resolution allowed all of present pumping wells within the two Budapest domains to be modelled in more detail, including a vertical shaft and five horizontal adits of 15-35 m length, arranged in a star shape. The Vienna model was constructed without a separate regional model, contains no pumping wells and has a resolution of 4x4 m.</p>
<p><br>The three models are used to study reactive PFAS transport during the bank filtration process using the RCT package within iMOD-WQ, which allows for one-site nonequilibrium sorption. A daily time-step was implemented for the groundwater flow model. For the monitoring period, normally distributed daily PFAS concentrations in the Danube river were generated on the basis of statistical data from the measurements at the respective sites (minimum, mean, standard deviation, maximum) using the Python-command <code>np.random.normal</code> (Harris et al., 2020). Besides the monitoring period, various scenarios can be modelled, namely a reference scenario, a baseline (BL) scenario, an accidental spill (AC) scenario with old firefighting foam (AC1) and one with more modern firefighting foam (AC2), and a water pollution control (WPC) scenario, based on limited measures (WPC1) as well as far-reaching control measures (WPC2). All scenarios can be run for a pre-climate change situation (based on the hydrological year of 2013), as well as for a post-climate change situation (based on the hydrological year of 2018). More information on the scenarios can be found in chapter 4.6.3 and 4.6.4 of the Guidance Document of H2020 Project PROMISCES, available at the project’s website (<a href="https://promisces.eu/">https://promisces.eu/</a>) from June 2025 onward.</p><p>iMOD-WQ was developed by Deltares in 2012 as a way of combining the then-existing iMOD environment with additional MODFLOW packages such as MT3DMS, RT3D and SEAWAT. The advantage of this is that everything can be run within the iMOD-environment, using iMOD-formatting (e.g. IDF- and IPF-files) for input and output. It allows for SEAWAT calculations, including reactive transport, on top of MT3DMS waterflux simulations. Furthermore, parallel simulations can be carried out with the Parallel Krylov Package (PKS) to reduce calculation times (Verkaik et al. 2015).</p>
<p><br>Here, the bank filtration models are provided as a zip file. After unzipping, the models can be run by using the iMOD Graphical User Interface (GUI) or by using the iMOD Python package (freely available at <a href="https://gitlab.com/deltares/imod/imod-python">https://gitlab.com/deltares/imod/imod-python</a>, documentation at <a href="https://deltares.github.io/imod-python/">https://deltares.github.io/imod-python/</a>). With the latter, one is able to make quick changes to the models (e.g. changes to hydraulic conductivities, pumping rates, etc.) by editing the runfiles directly. The input files for the models are already structured correctly for use with the iMOD Python package (see below). After the installation of iMOD-python, the models can be run by executing „run.bat“, and the scenario can be chosen by changing the runfile within „run.bat“ (see also the readme file in the main folder). </p>
<p><br>The output of the models consists of IDF-files with water levels and concentrations of each species of PFAS, for each layer at every timestep (i.e. daily). These can be read out either with the iMOD GUI or programming software like Python. Because the models are computationally taxing (especially on the CPU), a strong computer is advised.<br>More information on how to use iMOD-WQ and iMOD-python can be found in the manual: <a href="https://content.oss.deltares.nl/imod/imod56/iMOD_User_Manual_V5_6.pdf">https://content.oss.deltares.nl/imod/imod56/iMOD_User_Manual_V5_6.pdf</a></p><h3>Licensing:</h3>
<p>The GPLv2 license is meant for the software that is present in this record, the CC BY 4.0 license for the data.</p>
IFC4.3 Beispiel mit IfcAlignment, Signal und Fahrbahn
No full text<p><strong>Description:</strong></p>
<p>Die vorliegenden IFC 4.3 Dateien stellen gemäß ISO 16739:2024 ein IfcAlignment mit Signalplatzierung und der Definition eines Fahrbahnbelags dar.</p>
<p><strong>Context and methodology:</strong></p>
<p>Sie wurden im Zuge der Bachelorarbeit "Analyse und Anwendung von Industry Foundation Classes IFC 4.3 für Linienbauwerke" entwickelt. Vorlageprojekte von buildingSMART und ACCA software bildeten die Grundlage für die Implementierung.</p>
Original data for "Polarization Resolved Electron Spin Resonance in Two-Dimensional Electron System"
No full text<p>The record includes the measurements data for the paper:<br><strong>"Polarization Resolved Electron Spin Resonance in Two-Dimensional Electron System"</strong></p>
<h3>Key Highlights</h3>
<p>1. Transport + transmission at f = 200.66 GHz (circular polarization).</p>
<p>2. Spectrum at B = 0 and 7T<br>=> w = 0.45mm and FP maxima are around 100*n GHz</p>
<p>3. Magnetodispersion of ESR<br>All the measurements in Faraday and Voigt geometries are collected and plotted.</p>
<p>4-6. Voigt measurements at f = 208.7GHz at different positions of the sample<br>Voigt 4: B||[100] phi = 0 <br>Voigt 5: B||[110] phi = 45<br>Voigt 6: B||around[210] phi = 22.5<br>+ at 6 there is a global fitting!</p>
<p>7. The figure with double rotation!</p>
<p>8. Faraday measurement with circular polarization (old).</p>
<p>9. Figure with the spectrum and the Faraday geometry.</p>
<p>10-14. Old nonrelevant measurements for completeness.</p>
<h3>Data Format</h3>
<p>The record contains OPJU files created using <strong>OriginLab's Origin software (2022 edition)</strong>.</p>
Waste containers in public and semi-public spaces
No full text<h2>A photographic collection and categorization of waste containers in public and semi-public spaces</h2><p>The photo collection was created as part of the Urban Waste research project funded by the Vienna Science and Technology Fund WWTF and by the State of Lower Austria [10.47379/ ESR20019]. It contains photos of 217 types of waste containers, consisting of 489 individual containers, that are installed in public spaces, such as parks, shopping streets, and railway stations, as well as in semi-public spaces, such as museums, churches, shopping centres, universities, hotels, and cinemas in more than 75 cities in 19 countries. </p><p>The collection is accompanied by a comprehensive categorization table, available in the Excel file. This categorization provides basic information (location, date etc.) and classifies each container system based on location categories and various technical and functional characteristics such as shape, collection fraction, container volume, opening mechanism, signage design, colour, construction material, and additional functions such as ashtrays, compression and dog bag dispensers.</p><p>The collected data can be a valuable source of information for research in waste management, studies on environmental behaviour, as well as in urban landscape planning, design and architecture.</p>
Custom Escape Route Models in IFC format
No full text<h2>Description</h2>
<p>The published data are digital building models (BIM models) in the IFC format (Industry Foundation Classes).<br>The IFC models represent escape route models containing the geometry of escape routes and additional characteristics as properties. The models were generated from the escape route analysis results of a custom-developed fictional test model by researchers from the TU Wien Research Unit Digital Building Process.</p>
<h3>Context and methodology</h3>
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<li>The IFC models were generated by software prototypes developed with the programming languages Python (IfcOpenShell) and JavaScript (web-ifc). The required information is given by the attached JSON file including the model structure as well as coordinates and properties of the escape routes.</li>
<li>The escape route results are generated from a custom-developed test model for escape route analysis (see related works). The test model is a fictional five-storey building that contains test scenarios for the requirements for escape routes arising from the relevant building regulations. These include start doors and start rooms with several different escape routes, interconnected spaces, an underground parking garage, and different dimensions of the elements along the routes.</li>
<li>The Custom Escape Route Models correspond to the IFC4 and IFC4X3_ADD2 schema.</li>
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<h3>Technical details</h3>
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<li>The dataset includes eight BIM models in the IFC format (.ifc) and one dataset in the JSON format.</li>
<li>The models can be used in any software that supports the IFC format.</li>
</ul>
Supporting Human-Robot Interaction by Projected Augmented Reality and a Brain Interface
No full text<p>This repository stores the raw data and the videos of the manuscript titled "Supporting Human-Robot Interaction by Projected Augmented Reality and a Brain Interface".</p><p>The data.xlsx file contains the raw data collected during the user study.</p><p>The video_final.mp4 video shows the APA and NAPA approaches as well as their integration with a robotic arm.</p>
RiScan Pro PRCS to RealityCapture ground plane script
No full text<p>This bat-script for windows can be used to synchronize a the locally levelled project coordinate systems between the terrestrial laserscan processing software from Riegl LMS called RiScan PRO, and the photogrammetric structure-from-motion processing software Reality Capture.</p><p>Using the script synchronizes Reality Capture ground plane definition with RiScan Pro project coordinate system (PRCS) through a 4x4 transformation matrix, specifically the so-called POP matrix.</p><p>The POP matrix represents the relation between the working PRCS where all laserscans are aligned and the global coordinate system (GLCS). By default GLCS is set to EPSG4978 - a geocentric system with the WGS84 ellipsoid.</p><p>The script transforms the coordinates of a cube with the dimensions 100x100x100m and the center of its base plane aligned with the coordinate origin, is imported into RealityCapture as reconstruction region using four points and applied to define the ground plane of the Reality Capture project.</p><p>Ideally, with this the Reality Capture project coordinate system can be set to a global unprojected system such as EPSG4978 and using this script the ground plane can be levelled and used as a secondary local system - effectively synchronizing both global and local system between RiScan Pro and Reality Capture. </p>
The Impact of Traffic Lights on Modal Split and Route Choice: A use-case in Vienna
No full text<p>The data and code scripts used for the analysis in the paper entitled "<strong>The Impact of Traffic Lights on Modal Split and Route Choice: A use-case in Vienna</strong>", submitted to AGILE (Association of Geographic Information Laboratories in Europe) 2024 Conference.</p><p>It comprises three folders within the zip file:</p><ol><li><strong>Data</strong>: Contains the datasets for the analysis.</li><li><strong>Code</strong>: Includes script files essential for conducting the analysis. The scripts are written in Python.</li><li><strong>Results</strong>: Includes the outcomes showcased in the associated paper.</li></ol><p>Programming Language: Python </p><p>For reproducibility read the README.txt file included in the zip folder.</p><p>All data files are licensed under CC BY 4.0, all software is licensed under MIT License.</p><p>The transportation dynamics within a European city, Vienna, are examined using a multi-graph representation of the city's network. The focus is on time-optimized routing algorithms and the effects of altering the average waiting penalty at traffic lights. The impact of these modifications, whether an increase to 60, 90, or even 150 seconds or a decrease to 10 seconds, is observed in the selection of transportation modes and routes for identical origin and destination pairs. The investigation also extends to whether routes shift towards secondary street networks to avoid traffic lights as the waiting penalty increases. Experimental variations in average waiting time for cars aim to uncover detailed effects on transportation mode choices, route length and time changes, and variations in human energy expenditure. These findings could provide valuable insights into the transportation network and its possibilities and help in urban planning and policy development. The results indicate a shift in transportation mode as the waiting penalty for cars at traffic lights increases, and in some instances, routes are redirected to roads of lower importance such as residential or service roads.</p>
Resilient Web Service Open API Specification
No full text<h2>Resilient Web Service Open API Specification</h2>
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<p>This <a href="https://www.openapis.org/">Open API</a> specification describes the extended Resilient Web Service (RWS) API. The RWS API was originally developed by Miksa et al. in 2014 and extended by Hannes Rokitte in 2024.</p>
<p>The RWS API enhances web services by providing structured methods that offer additional information about each web service. This aims to assist API consumers in making more informed decisions regarding the use of the web service.</p>
<p>The specification is divided into two main sections. Under the "paths" key, all API endpoints are described, while the "components" key presents all utilized objects in a syntax similar to JSON Schema.</p>
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NMR Data - Hydroxyaryl-Tetrazines
No full text<h2>NMR data - FID files</h2>
<p>The provided data includes the FID files for all recorded NMR spectra as reported in <a href="https://doi.org/10.1002/anie.202411707">10.1002/anie.202411707</a> (freely accessible). The NMR datasets are organized as obtained directly after the measurement, allowing further processing with commonly used software, such as <a href="https://mestrelab.com/main-product/nmr">Mnova</a> or <a href="https://www.bruker.com/en/products-and-solutions/mr/nmr-software/topspin.html">TopSpin</a>. The files and folders are named after the original experiment. For the assignment of the data to the respective compound numbers as specified in <a href="https://doi.org/10.1002/anie.202411707">10.1002/anie.202411707</a> please see the provided PDF file ‘file_names_for_compound_numbers.pdf’.</p>
<p>For details on the used compounds and all compound numbers see <a href="https://doi.org/10.1002/anie.202411707">10.1002/anie.202411707</a>.</p>
<h2>Technical information</h2>
<p><sup>1</sup>H and <sup>13</sup>C NMR spectra were recorded on a Bruker Avance UltraShield 400 MHz or a Bruker Ascend 600 MHz spectrometer at 20 °C.</p>
<h2>Summary of results</h2>
<p>The obtained data confirmed the chemical structures of all synthesized compounds. Results of data analysis are provided in <a href="https://doi.org/10.1002/anie.202411707">10.1002/anie.202411707 </a>(freely accessible).</p>