TUDOdata (Techn. Univ. Dortmund)
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Harmonic Dictation
No full textThis collection of four-part harmonic dictations is divided into three levels of increasing difficulty. All dictations are in C major or A minor and begin with the tonic triad in root position. Level 1 is completely diatonic and always ends with an authentic cadence (V-I) or deceptive cadence (V-VI). Level 2 introduces the Neapolitan chord (bII6) and applied dominants to closely related keys (i.e., maximum one accidental away from the main key). In Level 2, each exercise ends with an authentic, deceptive, or half cadence. Level 3 contains 42 harmonic progressions, each of which is given in all three starting positions (i.e., octave, third, or fifth position, referring to the starting interval of the outer voices), making 126 exercises in total. In Level 3, Italian, French, and German augmented 6th chords and augmented triads (I+ and V+) are introduced, and the exercises go from 9 chords each in Levels 1 and 2 to 13 chords in Level 3. Audio files are provided in mp3 format with stereo pan between the upper voices and the bass in Levels 2 and 3, which allows the listener to make the bass louder. The solutions are provided in PDF, Sibelius, and musicxml formats
Collection of algorithms concerning spin dynamic mean-field theory
No full textThe simulation of large interacting spin systems is a notoriously difficult task and requires the use of sophisticated approximation schemes. One possibility is the recently established dynamic mean-field theory for spins (spinDMFT). This method is developed for tackling dense high-temperature spin ensembles as they occur, for example, in nuclear magnetic resonance. "Dense" in this context means that each spin has a large number of interaction partners. The key idea of spinDMFT is to replace the environment of a spin by a time-dependent Gaussian mean-field, thereby reducing the many-body problem to an effective single-site problem. The second moments of the mean-field are related to the spin's autocorrelation functions. This entails a self-consistency problem, which can be solved by numerical iteration: One starts with an initial guess for the mean-field moments, solves the single-site problem to compute the spin autocorrelations and uses the self-consistency condition to update the mean-field moments. This process is repeated until convergence is achieved. As the procedure requires only about 5 iteration steps, spinDMFT proves to be an efficient and powerful simulation tool for high-temperature spin systems. It can be extended to spin clusters (CspinDMFT), which improves the accuracy at the cost of higher computational effort. Another possible extension is non-local spinDMFT (nl-spinDMFT), which efficiently accesses non-local quantities such as spin pair correlations. This can be useful, for example, to compute free-induction decays.
This repository contains an implementation of the methods spinDMFT and its extensions CspinDMFT and nl-spinDMFT. The codes are written in C++
Data set of chirality tasks with notes (SoSe 23, WiSe 23/24, SoSe 24) - task-centred and person centred
No full textThe data set was generated to examine to what extent task difficulty and invested mental effort differ for digital and paper-pencil-based tasks on the topic of chirality (RQ1) and to what extent note-taking impacts students’ working memory load when working on paper-pencil-based chirality tasks in organic chemistry (RQ2).
The data set is based on the responses of 80 students who completed 19 chirality tasks tandems (each with one digital and one paper-pencil-based task) and rated their invested mental effort for each task. IRT analyses were used to generate Rasch values describing each task regarding task difficulty (digital and paper-pencil format), invested mental effort (digital and paper-pencil format) and note-taking in the paper-pencil format. Additionally observational averages from a DIF analysis describes the aforementioned variables for the two groups of students (note-takers and students whos test booklets showed no processing traces).
The data were collected in three semesters (summer 2023, winter 2023/24, summer 2024) during in class sessions of an introductory organic chemistry exercise. A within subject design was used (paper-pencil, digital). Data were analysed using Winsteps and SPSS.
Methods
The test instrument consisted of 19 task tandems, each consisting of a paper-pencil-based task and a similar digital task. In both formats, 5 tasks asked the students to indicate for a depicted molecule via 4 multiple-choice single-select answer options whether and if so at which carbon atom the molecule has a chirality centre. 5 further tasks asked the students to use a dual-choice single-select answer format to decide whether the two molecules shown are identical molecules or enantiomers. The following 4 tasks asked students to draw the corresponding molecule based on a given IUPAC name of a molecule with at least one stereocentre (open format). Finally, the students were asked to state the absolute configuration of a given molecule in 5 tasks using a multiple-choice single-select format with four answer options. Students were requested to rate the invested mental effort individually for each task immediately after they completed the task in both formats. A maximum of 30 minutes was available to complete the chirality tasks (The associated data can be found in the person-centred data set).The students' responses were used to generate Rasch parameters describing the tasks (The associated data can be found in the task-centred data set). During the in class, the students worked individually on the digital tasks first and then on the paper-based tasks (or vice versa). The students' private devices were predominantly used to complete the digital tasks. The chirality tasks are from a self-developed test instrument. The invested mental effort was measured with the instrument by Paas (1992). The reliability of the chirality tasks (person reliability: .82, item reliability: .90) and the invested mental effort ratings (person reliability: .93, item reliability: .96) for the overall sample (Nstudents = 80, Nchirality tasks = 38, Ninvested mental effort ratings = 38) were satisfactory. Used software packages: Winsteps (version 5.2.4.0), SPSS (version 29).The student responses in paper format were evaluated by the first author. Correct solutions were coded as 1, incorrect solutions or missing answers were coded as 0. The student answers in digital format were automatically corrected by the e-learning tool on the basis of the given sample solutions. Here too, correct answers were coded with 1, incorrect answers or missing solutions with 0.For the paper-pencil-based task processing, the first author also coded whether markings or notes were used during task processing. All processing traces in the paper-based test booklets that could be clearly assigned to a task were taken into account. If a task had traces of processing, this was coded as 1. Tasks without recognizable traces of processing were coded with 0. The data was first collated in Excel and imported from there into Winsteps. The output Rasch parameters were imported (via Excel) into SPSS and analysed there.</p
Nadia Boulanger's "Course in Harmony"
No full textBilingual French-English edition of Nadia Boulanger's unpublished music treatise, "Course in Harmony" (Cours d'harmonie), edited by Derek Remes. Based on the editions of Narcis Bonet (French), Malcolm Singer (English), and Mirjana Živković (Serbian)
Worksheets and Solutions to Matthäus Gugl's "Fundamentals of Thoroughbass" (1719)
No full textTwo appendices (worksheets and solutions) to the publication: Derek Remes, ed., “Matthäus Gugl’s Fundamentals of Thoroughbass: Edition, Translation, and Commentary. Theoria, 2025. Forthcoming
Raw Data for "Palladium-Catalyzed Monoarylation of Cyclopropylamine"
No full textPROJECT DESCRIPTION:
We report a novel palladium-catalyzed protocol for the monoarylation
of cyclopropylamine using the sterically demanding and electron-rich
adamantyl-substituted YPhos ligand adYPhos. This method enables the
efficient coupling of a wide range of (hetero)aryl chlorides at room temperature.
The reported ligand enhances the scope for the application of YPhos ligands
in amination reactions to more challenging substrates. The protocol is versatile,
accommodating various functional groups and extending to larger cycloalkylamines,
all accessible under feasible and mild conditions.DATASET DESCRIPTION:
Single folders were created for all separate analysis methods.
The folders GC-MS (Isolations), HRMS, IR, NMR contain the datasets of the isolated
molecules of the project with the respective analysis method.
They are named with the number of the respective molecule according to the publication and with the number of the experiment of our electronic lab journal.
The folder GC-FID (Screening) contains all GC-Data of the reported reaction optimization, following the numbering of the entries in the supporting information.
Programs that can be used to open the data:
GC: Masshunter Qualitative Analysis (an open source alternative would be the software "OpenChrom").
HRMS: PDF with the measurement data were provided.
IR: The data can be opened with OMNIC software (an open source alternative would be the software "OpenChrom").
NMR: Can be opened with MestReNov
W. A. Mozart's Species Counterpoint Exercises for his Pupil, Thomas Attwood
No full textThis modern pedagogical edition and translation of W. A. Mozart's species counterpoint exercises for his pupil, Thomas Attwood, is intended for students of counterpoint. It is given in two volumes: original c-clefs and easier clefs (treble, bass, and alto). The notation files are given in PDF, Sibelius, and musicxml format
Part 3 - Datasets of all active learning cycles of constructing a HDNNP for the first step of the Strecker synthesis
No full textThis dateset is part of the dataverse "HDNNP for Strecker synthesis" which contains three other datasets referenced below. The construction of a high-dimensional neural network potential (HDNNP) able to determine the free energy profile of the first part of the Strecker synthesis was done in an active learning process. This required fitting HDNNPs, the propagation of molecular dynamics (MD) simulation employing umbrella sampling, identifying new structures and the computation of energies and forces with e.g. a DFT method. Finally, a reliable HDNNP and a converged free energy profile is obtained. The four datasets of the dataverse contain separately 1) the input files for FHI-aims and MD simulations, 2) the obtained HDNNPs, 3) the obtained new configurations and 4) the final HDNNP and free energy profile.
This dataset contains the sub datasets adding up to the full dataset constructed in the active learning process. They are provided in the input.data format
HypnoTreatSynth Dataset: Effects of Relaxation Hypnosis on Heart Rate Variability in Chronically Stressed Individuals
No full textThe HypnoTreatSynth dataset is a fully synthetic dataset designed to mimic data from a study on the effects of a relaxation hypnosis on heart rate variability (HRV) in chronically stressed individuals. It includes simulated measurements from 45 participants, randomized into intervention and control groups, with HRV metrics recorded at baseline and post-treatment. The data was generated to preserve key statistical properties of the original study while ensuring full anonymization and includes both raw and change-from-baseline tables, along with visualization files. Importantly, the dataset is for illustrative and methodological use only and does not support conclusions about hypnosis efficacy
Curation checklist for datasets published in TUDOdata
No full textThe publication workflow for datasets in TUDOdata consists of four main steps, wereas 1)-3) may be repeated multiple times:
preparation of the dataset
submission for review
curation
publication
While steps 1, 2, and 4 are carried out by the researchers, step 3 is performed by the TUDOdata team. During the curation step, data curators thoroughly examine the submitted dataset and assess it with respect to the FAIR principles.
To facilitate this curation for both curators and researchers, this dataset contains a checklist with key aspects datasets need to satisfy prior to publication in the repository TUDOdata.
The dataset contains the checklist along with detailed explanations, available in both Markdown (.md) and PDF formats.
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