Find research datasets worth reusing
Search datasets from major research repositories and use ShareScore to quickly assess how well each record supports discovery, access, and reuse.
168
datasets available to search
ShareScore release 0.9.0
Dataset results
168 results for “NMR Data”
Biogeochemical and 13C NMR data from NEON surface mineral soils
To understand controls on soil organic matter chemical composition across North America, we collected 13C NMR spectra and conducted and synthesized additional biogeochemical measurements from NEON Megapit soil samples as well as additional samples (total n = 42). This dataset supports the findings described in the associated manuscript by Hall, Ye et al. (2020).
Desulfated iso-Glucomoringin and Glucolepigramin. NMR Data.
<p>NMR data file for compounds "Desulfated iso-Glucomoringin" and" Desulfated glucolepigramine", Bruker format.</p> <p>The Compound-d2_DS-isoGMG folder in the Compound-d2_DS-isoGMG.zip file contains 8 folders:</p> <p>2: <sup>1</sup>H (NS=8)<br> 3: COSY (<sup>1</sup>H-<sup>1</sup>H)<br> 4: TOCSY (<sup>1</sup>H-<sup>1</sup>H)<br> 5: ROESY (<sup>1</sup>H-<sup>1</sup>H)<br> 6: <sup>13</sup>C<br> 7: HSQC (<sup>13</sup>C-<sup>1</sup>H)<br> 8: HMBC (<sup>13</sup>C-<sup>1</sup>H)<br> 103: <sup>1</sup>H (NS=128)</p> <p>The Compound-d4_DS-3-OH-Bz-GL folder in the Compound-d4_DS-3-OH-Bz-GL.zip file contains 6 folders:</p> <p>1: <sup>1</sup>H<br> 2: <sup>13</sup>C<br> 3: COSY (<sup>1</sup>H-<sup>1</sup>H)<br> 4: HSQC (<sup>13</sup>C-<sup>1</sup>H)<br> 5: HMBC (<sup>13</sup>C-<sup>1</sup>H)<br> 6: ROESY (<sup>1</sup>H-<sup>1</sup>H)</p> <p>The Supplementary Information file is also included, as well as the .mol files of Compound-d2_DS-isoGMG and Compound-d4_DS-3-OH-Bz-GL</p>
19F NMR chemical shift and linewidth data of β-arrestin-1
Open the record for dataset details and reuse information.
MATLAB scripts and raw experimental data for the paper "Optimizing measurements of linear changes of NMR signal parameters" by Javier Agustin Romero, Krzysztof Kazimierczuk and Paweł Kasprzak
<p>Classical_fit.m - Comparison of simulation results and theoretical predictions for the linear fit of the resonance frequencies. </p> <p>Radon_transform - the same, but using Radon transform to determine linear coefficients.</p> <p>Amplitude.m - Comparison of errors of the linear coefficients for varying amplitude fit in simulations and theory.</p> <p>process_measurements.m - script to process experimental data (caffeine peak at 7.90 ppm). The data are stored in real.mat and imag.mat</p> <p>For the details of theoretical formulas, see the paper "Optimizing measurements of linear changes of NMR signal parameters" by Javier Agustin Romero, Krzysztof Kazimierczuk, and Paweł Kasprzak. The scripts were used to generate Figures in the paper.</p>
Data on the soybean infiltration process utilizing LF-NMR
<div> <div> <div> <p>This paper employs low-field nuclear magnetic resonance (LF-NMR) technology to meticulously analyze and explore the intricate soybean infiltration process. The methodology involves immersing soybeans in distilled water, with periodic implementation of Carr-Purcell-Meiboom-Gill (CPMG) pulse sequence experiments conducted at intervals of 20 to 30 minutes to determine the relaxation time T<sub>2</sub>. Currently, magnetic resonance imaging (MRI) is conducted every 30 minutes. The analysis uncovers the existence of three distinct water phases during the soybean infiltration process: bound water denoted as T<sub>21</sub>, sub-bound water represented by T<sub>22,</sub> and free water indicated as T<sub>23</sub>. The evolution of these phases unfolds as follows: bound water T<sub>21</sub> displays a steady oscillation within the timeframe of 0 to 400 minutes; sub-bound water T<sub>22</sub> and free water T<sub>23</sub> exhibit a progressive pattern characterized by a rise-stable-rise trajectory. Upon scrutinizing the magnetic resonance images, it is discerned that the soybean infiltration commences at a gradual pace from the seed umbilicus. The employment of LF-NMR technology contributes significantly by affording an expeditious, non-destructive, and dynamic vantage point to observe the intricate motion of water migration during soybean infiltration. This dynamic insight into the movement of water elucidates the intricate mass transfer pathway within the soybean-water system, thus furnishing a robust scientific foundation for the optimization of processing techniques.</p> </div> </div> </div>
1H NMR Data of Commercial Honey Analysed by 400 and 700 MHz Spectrometers
<p>Datasets (*.xlsx) contain the 1H NMR Raw (.fid) and Binning data (.xlsx) of commercial honey analysed using 400 MHz and 700 MHz NMR spectrometers</p>
Cyclisation Modes in Anilides of N-Protected 3-Oxo-4-phenylaminobutyric Acid Under Knorr Conditions - NMR Data
<p>This archive contains raw 1H/13C FIDs and associated data in Bruker-specific format that can be viewed with Bruker’s TopSpin or other appropriate NMR processing software. The subfolders are named in accordance with the compound numbering in the associated research paper (Cyclisation Modes in Anilides of N-Protected 3-Oxo-4-phenylaminobutyric Acid Under Knorr Conditions).</p> <p>Correspondence: angelov@uni-plovdiv.bg</p>
NMR data for "Application of a Hydrophobic Polyglutamate Bearing a Triphenylphosphine Group for the Orientation of Pharmaceutically Active Compounds and the Measurement of Residual Dipolar Couplings"
<p>NMR raw data for the work titled:</p> <p>"Application of a Hydrophobic Polyglutamate Bearing a Triphenylphosphine Group for the Orientation of Pharmaceutically Active Compounds and the Measurement of Residual Dipolar Couplings"</p> <p>The archive consists of NMR spectra of all compounds synthesized and the NMR spectra used for the determination of RDCs (isotropic and anisotropic).</p>
Raw NMR FID data of sesquiterpenes from co-culture of Phellinus orientoasiaticus and Xylodon flaviporus
<p>This is a NMR FID data of sesquiterpenoids isolated from co-culture of Phellinus orientoasiaticus and Xylodon flaviporus.</p> <p>Isolation and structural elucidation of these compounds will be reported in the article titled "Cyclohumulanoid Sesquiterpenes Induced by the Non-competitive Co-culture of Two Basidiomycetous Fungi, <em>Phellinus orientoasiaticus</em> and <em>Xylodon flaviporus</em>", which is currently under review.</p>
Binned NMR data of growth medium of ten microbial strains
<p>Microbes were grown in defined growth medium for 4 hours, then medium was collected. 1D 1H NMR spectra were recorded on an 850 MHz Bruker spectrometer and spectra were binned in the R package mrbin, version 1.6.1. From each spectrum, a spectrum of pure medium was subtracted.</p>
NMR assignment of methyl groups in solid-state using 1H-detection and fast MAS - NMR raw and processed data
<p>This data set contains raw NMR data in Bruker format for experimental series on (1) 2,3-13C-labelled microcrystalline alanine, (2) U-13C,15N-labelled N-fomylated microcrystalline tripeptide Met-Leu-Phe, and (3,4) two differently labelled (ILV-C4 and ILV-C5) microcrystalline chicken-alpha-spectrin SH3 domain. Measurements were performed at 14.4 T and 55.5 kHz MAS (alanine), 18.8 T and 55.5 and 98 kHz MAS (fMLF), 23.5 T and 55.5 kHz (SH3 C5), 18.8T and 55.5 and 94.5 kHz MAS (SH3 C5) and 18.8T and 55.5 and 94.5 kHz MAS (SH3 C4). The data set also contains Fourier processed data (spectra) in UCSF format, Sparky project, save and peak list files. Pulse programs for Bruker spectrometers are provided. The data set is complemented with SIMPSON scripts for simulation of spin dynamics under aformentioned conditions.</p>
Training data for benchtop NMR and UV/vis spectroscopy for Artificial Neural Networks
<p>Data set of low-field NMR spectra and UV/vis spectra for the synthesis of mesalazine intermediates, which were used as training or validation data for data processing with artificial neural networks development</p> <p><strong>Low-field NMR spectra for the nitration step:</strong></p> <p>The pure component spectrum of 2ClBA, 3N-2ClBA, and 5N-2ClBA are marked as NMR_pure_spectrum. The concentration levels for 2ClBA, 3N-2ClBA and 5N-2ClBA are in row 1, 2, and 3, respectively.</p> <p>The data sets marked as NMR_ represents low-field NMR-spectra recorded. The reference values for 2ClBA, 3N-2ClBA and 5N-2ClBA are in column 1, 2, and 3, respectively.</p> <p><strong>Datafusion data sets for the hydrolysis and nitration step</strong></p> <p>The NMR data are either recorded or simulated from the pure NMR spectrum of each individual component. The reference values for 2ClBA, 3N-2ClBA, 5N-2ClBA, 3-NSA and 5-NSA are either assigned with UHPLC measurements or calculated from the prepared solutions.</p> <p>The NMR spectra are depicted in datafusion_NMR_training. The reference values for 2ClBA, 3N-2ClBA and 5N-2ClBA are in column 1, 2, and 3, respectively.</p> <p>The UV/vis spectra are depicted in datafusion_UVvis_training. The reference values for 2ClBA, 3N-2ClBA, 5N-2ClBA, 3-NSA and 5-NSA are in column 1, 2, 3, 4, and 5, respectively.</p> <p><strong>Process data</strong></p> <p>The NMR spectra for the stability run and the run with dynamic changes are depicted in process_NMR_. The first column is the time stamp.</p> <p>The UV/vis spectra for the stability run and the run with dynamic changes are depicted in process_UV_. The first column is the time stamp.</p>
Raw data for 'Analysing binding stoichiometries in NMR titration experiments using Monte Carlo simulation and resampling techniques'
<p>Repository of the raw data and SupraFit binaries (for Windows, Linux and macOS) for the research article:</p> <p><strong>Analysing binding stoichiometries in NMR titration experiments using Monte<br> Carlo simulation and resampling techniques</strong></p> <p> </p> <p>It contains the SupraFit nigthly builds 2.5.98 for Windows (<em>SupraFit-nightly-2.5.98-x86_x64-Windows.zip</em>), Linux (<em>SupraFit-nightly-2.5.98-x86_64-Linux.tar.gz</em>) and macOS (<em>SupraFit-nightly-2.5.98-macOS.dmg</em>).</p> <ul> <li> <p><em>Simulated Experiments.suprafit</em> contains the simulated experimental data</p> </li> <li> <p><em>Simulated 1_1 Experiment.suprafit</em> contains the raw data of the 1:1 data set after several statistical post-processing analyses were performed</p> </li> <li> <p><em>Simulated 1_1_1_2 Experiment.suprafit</em> contains the raw data of the 1:1/1:2 data set after several statistical post-processing analyses were performed</p> </li> <li> <p><em>Simulated 2_1_1_1 Experiment.suprafit </em>contains the raw data of the 2:1/1:1 data set after several statistical post-processing analyses were performed</p> </li> <li> <p><em>Simulated 2_1_1_1_1_2 Experiment.suprafit </em>contains the raw data of the 2:1/1:1/1:2 data set after several statistical post-processing analyses were performed</p> </li> <li> <p><em>MC-simulation 1_1_1_2 Experiment.suprafit </em>contains the raw data for Figure 4 in the article</p> </li> </ul>
NMR_raw_data for "Native Metabolomics Identifies the Rivulariapeptolide Family of Protease Inhibitors"
<p>Raw 1D/2D NMR data and chemical structures for compounds <strong>1 </strong>- <strong>6</strong> of the study "Native Metabolomics Identifies the Rivulariapeptolide Family of Protease Inhibitors".</p>
1H-NMR acquisition data of different developmental stages of Coriander fruits
<p>This is the raw 1H-NMR acquisition data acquired with 400 MHz, Bruker Broad Band NMR Spectrometer. </p>
DATA - Modern manufacturing enables magnetic field cycling experiments and parahydrogen induced hyperpolarization with a benchtop NMR
<p>Datasets and software for the publication "Modern manufacturing enables magnetic field cycling experiments and parahydrogen induced hyperpolarization with a benchtop NMR"</p>
Primary NMR fid data for Abas, M. et al.
<p>Primary data fid files for 1H NMR and 13C{1H} NMR spectra of compounds 1a, 1b, 1c, 1d, 1e, 2a, 2b, 3, 5, 6, 7, and 8 from the manuscript "Truce-Smiles Rearrangement of Carbanion Nucleophiles Stabilized by Various Functional Groups".</p>
Raw NMR data for two constructs of the 8-17 DNAzyme in presence of diferent metal ion cofactors.
<p>The provided NMR dataset contains mainly spectra collected for a unimolecular 8-17 DNAzyme construct, featuring shortened substrate-binding arms: 5'-CGC CGG GGT CGA AGA CTG CCA GCG GCT CGA CGG CG-3' (labelled 8-17 short or GTC within the dataset). The spectra are provided for a number of different experimantal conditions:</p> <p>1) in the presence of both Zn2+ and Na+ (conditions used for structure determination)</p> <p>2) in the presence of Zn2+</p> <p>3) in the presence of Na+</p> <p>4) in the presence of Mg2+</p> <p>5) in the presence of Pb2+</p> <p>6) in the presence of both Zn2+ and Na+(Zn2+ titration to a sample initially containing only Na+)</p> <p>In addition 1H NMR titrations were also recorded for the 8-17 DNAzyme construct, used in the previous crystallographic study (labeled 'crystalo' within the dataset). Titrations using Zn2+, Na+, Mg2+ an Pb2+ are provided.</p>
NMR data for "13C-Formate as an Indirect Low-Temperature 1H Lineshape Polarimeter"
<p>NMR data for "13C-Formate as an Indirect Low-Temperature 1H Lineshape Polarimeter".</p> <p>The data enclosed are either NMR data generated by the software TopSpin written by Burker BioSpin or raw text files.</p> <p>The scripts used to analyze the NMR data are available in a next upload.</p> <p>Please refer to the main text of the paper for more details.</p>
Data set related to the manuscript "Investigating the effect of particle size distribution and complex exchange dynamics on NMR spectra of ions diffusing in disordered porous carbons through a mesoscopic model"
<p>Graphical files in the agr format for all the figures in the manuscript entitled "Investigating the effect of particle size distribution and complex exchange dynamics on NMR spectra of ions diffusing in disordered porous carbons through a mesoscopic model". XYZ files giving the particles and bulk positions in the lattices are also provided.</p>
ScienceDex guides
Understand access before you commit
These curated guides explain access requirements, typical timelines, costs, and reuse considerations for widely used research datasets.
Allen Brain Atlas
Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.
Annotated Behaviour and Observability Dataset (ABODe)
ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.
DANDI Archive for NWB datasets
DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.
International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.