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689 results for “crystals”
Data from: Colorimetric detection of hydrogen peroxide by dioxido-vanadium(V) complex containing hydrazone ligand: synthesis and crystal structure
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Shape multistability in flexible tubular crystals through interactions of mobile dislocations: Simulation data
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The crystal structure of the NHL domain in complex with RNA reveals the molecular basis of Drosophila Brain tumor-mediated gene regulation
GEO Series GSE73000. synthetic construct. 7 samples. Type: Other.
Transcriptomic data on the response of macropohages to monosodium urate crystals (MSUc)
GEO Series GSE191054. Homo sapiens; Mus musculus. 116 samples. Type: Expression profiling by high throughput sequencing.
Analysis of altered microRNA expression profiles in proximal renal tubular cells in response to calcium oxalate monohydrate crystal adhesion
GEO Series GSE56934. Homo sapiens. 2 samples. Type: Non-coding RNA profiling by array.
Single-Cell RNA sequencing reveals blood immune features of gout remission patients with monosodium urate crystal deposition.
GEO Series GSE217561. Homo sapiens. 9 samples. Type: Expression profiling by high throughput sequencing.
Transcriptomic analysis of cultured primed synovial fibroblasts from monosodium urate crystal-induced arthritis in the mouse (validation set of samples)
GEO Series GSE163749. Mus musculus. 6 samples. Type: Expression profiling by high throughput sequencing.
Twinning in Zr-based Metal-organic Framework Crystals
<p>Cif files for three metal-organic framework compounds. </p>
On Open and Strong-Scaling Tools for Atom Probe Crystallography: High-Throughput Methods for Indexing Crystal Structure and Orientation
<p>This repository contains XML configuration files, POS and EPOS reconstructed APT datasets and RNG/RRNG range files, raw data, and synthetic dataset to follow our analysis made in the initial version of the paper <em>"On Open and Strong-Scaling Tools for Atom Probe Crystallography: High-Throughput Methods for Indexing Crystal Structure and Orientation"</em></p> <p>We are continuously working on the atom probe crystallography tools of paraprobe and their corresponding configuration and analysis wizards in paraprobe-parmsetup and paraprobe-autoreporter. Also, we are currently working on an ontology for metadata of APT post-processing workflows. Therefore, changes in the structure of the HDF5 file are expected to come up.<br> <br> Therefore, we always recommend to work with the newest code of PARAPROBE on the GitLab:</p> <p><strong>https://gitlab.mpcdf.mpg.de/mpie-aptfim-toolbox/paraprobe.git<br> https://paraprobe-toolbox.readthedocs.io/en/latest/</strong></p> <p>Therefore, the data in here serve as a reference to and documentation of the settings mainly.</p> <p><strong>This repository here contains the following pieces of information:</strong></p> <p><strong>VerifyCrystalStructures_Geo26Al.zip<br> VerifyCrystalStructures_Geo26Al3Sc.zip<br> VerifyCrystalStructures_Geo26W.zip</strong><br> Raw data and results for the assessment of the histograms and SDMs and corresponding amplitude spectra.</p> <p><strong>VerifySXIndexing.zip</strong><br> Raw data and results for the verification with synthetic single crystal datasets.</p> <p><strong>VerifyPXIndexing2_SimID.200.tar.gz<br> VerifyPXIndexing2_SimID.201.tar.gz<br> VerifyPXIndexing2_SimID.202.tar.gz</strong><br> Raw data and results for the verification with synthetic polycrystal datasets,<br> where 200 is without noise, 201 low noise, 202 high noise.</p> <p><strong>VerifyAlBicrystalZirong_ExampleROIs.tar.gz<br> VerifyAlBicrystalZirong_Library.tar.gz</strong><br> <strong>VerifyAlBicrystalZirong_Setup.tar.gz<br> VerifyAlBicrystalZirongRendering.zip</strong><br> Raw data and results for specific ROIs discussed for the aluminium bicrystal including Paraview example for rendering.</p> <p><strong>VerifyAlLiMgBaptiste_ExampleROIs.tar.gz<br> VerifyAlLiMgBaptiste_Library.tar.gz<br> VerifyAlLiMgBaptiste_Setup.tar.gz<br> VerifyAlLiMgBaptisteRendering.zip</strong><br> Raw data and results for specific ROIs discussed for the aluminium bicrystal including Paraview example for rendering.</p> <p><strong>AlBicrystalAdaptiveROIGrid.tar.gz<br> AlLiMgAgAdaptiveROIGrid.tar.gz</strong><br> Raw data and results for the tutorial with adaptive refinement of the ROI grid, as it is detailed in the Jupyter notebook tutorials on the GitLab repository.</p> <p> </p>
Experimental Investigation of the Acetylene-Benzene Co-Crystal on Titan
<p>This folder contains corresponding FTIR spectra of the C2H2-C6H6 co-crystal (“C2H2-C6H6_co-crystal_exp”) from the manuscript “Experimental Investigation of the Acetylene-Benzene Co-Crystal on Titan." Spectra from repeated experiments (“C2H2-C6H6_co-crystal_repeat1/2”), pure spectra of C2H2 and C6H6, and a reference spectrum of acetone are also included. The spectra files are in .CSV and .SPA format.</p>
Data supplement for "Efficient calculation of phase coexistence and phase diagrams: application to a binary phase-field crystal model"
<p>This dataset contains the data and source files for the diagrams of the following publication:</p> <p><em>Holl, M. P., Archer, A.J., & Thiele, U.<br> Efficient calculation of phase coexistence and phase diagrams: application to a binary phase-field crystal model<br> arXiv preprint </em><br> <a href="https://arxiv.org/abs/2009.02946">arXiv:2009.02946</a><em>, 2020 </em></p> <p>We provide the data and sources necessary to generate figures 10-14 of the manuscript.</p> <p>Additionally we provide the MATLAB codes to run all the continuations for the results in sections 4.2 and 5. </p> <p>For more information, please see the included README.md</p>
X-ray images for crystal of a protein DegT/DnrJ/EryC1/StrS family aminotransferase from Archaeoglobus veneficus
<p>X-ray images for sugar transaminase from Archaeoglobus venficus</p> <p>PDB code 7B0D</p>
Computational Modelling and Experimental Characterisation of the Fabrication of Tuneable Photonic Crystal pH Sensors: Supplementary Simulation Videos
<p>Simulation output videos to accompany the paper 'Computational Modelling and Experimental Characterisation of the Fabrication of Tuneable Photonic Crystal pH Sensors'.</p> <ul> <li>Film writing, with exported film image</li> <li>Film reading, at various expansions and pulse wavelengths (selected as the diffraction peak wavelengths identified in the paper)</li> </ul>
Data from: Modelling dynamics in protein crystal structures by ensemble refinement
Single-structure models derived from X-ray data do not adequately account for the inherent, functionally important dynamics of protein molecules. We generated ensembles of structures by time-averaged refinement, where local molecular vibrations were sampled by molecular-dynamics (MD) simulation whilst global disorder was partitioned into an underlying overall translation–libration–screw (TLS) model. Modeling of 20 protein datasets at 1.1–3.1 Å resolution reduced cross-validated R_free values by 0.3–4.9%, indicating that ensemble models fit the X-ray data better than single structures. The ensembles revealed that, while most proteins display a well-ordered core, some proteins exhibit a 'molten core' likely supporting functionally important dynamics in ligand binding, enzyme activity and protomer assembly. Order–disorder changes in HIV protease indicate a mechanism of entropy compensation for ordering the catalytic residues upon ligand binding by disordering specific core residues. Thus, ensemble refinement extracts dynamical details from the X-ray data that allow a more comprehensive understanding of structure–dynamics–function relationships.
In Situ Probing the Crystallization Kinetics in Gas-Quenching-Assisted Coating of Perovskite Films
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Data and materials for "Crystallization kinetics of atomic crystals revealed by a single-shot and single-particle X-ray diffraction experiment"
<p>XFEL diffraction data and simulation codes associated with publication "Crystallization kinetics of atomic crystals revealed by a single-shot and single-particle X-ray diffraction experiment" (https://doi.org/10.1073/pnas.2111747118). <a href="https://zenodo.org/api/files/6b7e2270-da94-43ea-8cb7-24db901d6d47/Fig1A.txt?versionId=22020722-9489-427b-b2a3-8a5577542679">Fig1A.txt</a> is the 2D array data of the accumulated diffraction image. <a href="https://zenodo.org/api/files/6b7e2270-da94-43ea-8cb7-24db901d6d47/Fig2A.txt?versionId=f53f0a51-20f0-4aaa-b2f3-7ac284e5a39a">Fig2A.txt</a>, <a href="https://zenodo.org/api/files/6b7e2270-da94-43ea-8cb7-24db901d6d47/Fig2B.txt?versionId=a7a31743-446f-4b60-84fc-8d06383bd852">Fig2B.txt</a>, <a href="https://zenodo.org/api/files/6b7e2270-da94-43ea-8cb7-24db901d6d47/Fig2C.txt?versionId=d79d2068-2530-4ee6-95fc-b38b4ee8bda5">Fig2C.txt</a> are the 2D arrays of the single-shot diffraction images. The unit is electronvolt per pixel. <a href="https://zenodo.org/api/files/6b7e2270-da94-43ea-8cb7-24db901d6d47/Python%20script.ipynb">Python script.ipynb</a> includes the simulation codes for the single-shot streak patterns and the integrated powder diffraction pattern. </p>
Data of "Spatially selective crystallization of ferroelectric Hf0.5Zr0.5O2 films induced by sub-nanosecond laser annealing"
<p>Data of the publication "Spatially selective crystallization of ferroelectric Hf0.5Zr0.5O2 films induced by sub-nanosecond laser annealing"</p> <p>We acknowledge financial support from Spanish Agencia Estatal de Investigación through grants PID2020-112914RB-I00 and PID2020-113034RB-I00 funded by MCIN/AEI/10.13039/501100011033, and from Gobierno de Aragón (research groups T54_23R and E28_23R).</p>
Crystal structure of the LRR ectodomain from the plant immune receptor kinase SOBIR1 from Arabidopsis thaliana - sulphur SAD datasets
<p>This dataset includes the raw X-ray diffraction images collected on 06.11.2017 at beam line PXIII of the Swiss Light Source (SLS) Villigen, Switzerland. Native (dts_xxx, λ=1.033201 Å, 1 360° wedge at 0.1° oscillation) and redundant sulphur single-wavelength anomalous dispersion (SAD) data (ssad_xxx, λ= 2.078524 Å, 3 360° wedges at 0.1° oscillation) were collected to 1.75 Å and 3.12 Å resolution. The dataset includes a .bz2 archive of the XDS processing for native and sulphur SAD data, data were scaled together in xscale, the resulting xscale.hkl and nat1.hkl contain the integrated intensities and crystallographic structure factors. The corresponding coordinates have been deposited with the Protein Data Bank (http://rcsb.org) with ID 6R1H.</p>
Synchrotron diffraction images for the 0.72-Å crystal structure of perdeuterated human myelin protein P2
<p>3600 synchrotron X-ray diffraction images used to refine the structure of perdeuterated human myelin protein P2 at 0.72-Å resolution. Processing files are included. The data were collected on the P11 synchrotron beamline at PETRAIII/DESY, Hamburg.</p>
Bifurcation of time crystals in driven and dissipative Rydberg atomic gas
<div>These folders contain data used to reproduce figures in main text.</div> <div> </div> <div>The files "fig2a.xlsx" and "fig2d.xlsx" contain the phase diagrams in Figure 2 of the main text. The columns in fig2a.xlsx represent the voltage of the RF-field, and the rows represent the detuning. The columns in fig2d.xlsx represent the frequency of the RF field, and the rows represent the detuning. The values in the table represent transimission.</div> <div> </div> <div>The file "fig3a.xlsx" contains the phase diagram in Figure 3 of the main text. The columns of fig3a.xlsx represent the detuning and the rows represent the frequencies of the Fourier spectrum. The values in the table represent transimission.</div> <div> </div> <div>The file "fig4a.xlsx" contains the phase diagram in Figure 4 of the main text. The columns of fig4a.xlsx represent the voltage of the RF-field, and the rows represent the frequencies of the Fourier spectrum. The values in the table represent transimission.</div> <div> </div> <div>The files "fig5a.xlsx" and "fig5a.2.xlsx" contain the phase diagrams in Figure 5 of the main text. The columns in fig5a.xlsx and fig5a.2.xlsx represent the voltages of the RF-field, and the rows represent the frequencies of the Fourier spectrum. The values in the table represent transimission.</div> <div> </div> <div>The files "fig7a.xlsx" and "fig7c.xlsx" contain the phase diagrams in Figure 7 of the main text. The columns in fig7a.xlsx and fig7c.xlsx represent the voltages of the RF-field, and the rows represent the frequencies of the Fourier spectrum. The values in the table represent transimission.</div>
ScienceDex guides
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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.