cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2qxm9l
title: CCDC 2529950: Experimental Crystal Structure Determination

description: Related Article: Sviatoslav Batsyts, Illia Kapitanov, Roman Savka, Volodymyr Sypchenko, Frank Rominger, Iaroslav Matviienko|2026|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2qxshy
title: CCDC 2530111: Experimental Crystal Structure Determination

description: Related Article: Tiying Jiang|2026|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.6084/m9.figshare.31304941
title: Gene annotation files of <i>Panax ginseng</i> pangenome

description: Gene annotation files of <i>Panax ginseng</i> pangenome
DOI: 10.6084/m9.figshare.31304941.v1
title: Gene annotation files of <i>Panax ginseng</i> pangenome

description: Gene annotation files of <i>Panax ginseng</i> pangenome
DOI: 10.17632/rz72pn6j5r
title: Strained lattice vectors generator for SIESTA - Uniaxial strain in 2D materials - Set Up and Post-Processing

description: This dataset contains a Python script (Strained_Vec_Generator_uniax.py) and an example demonstrating its use for applying uniaxial strain in both the x and y directions to a graphene structure (a 2D material in the xy-plane). Use the siesta.STRUCT_OUT file to see how the script works.

It also includes a Python script for post-processing the data generated by this procedure (you will need to run the 0% strain case beforehand to obtain the .STRUCT_OUT file from SIESTA, which is provided here as an example). You can use the post-processing script with the X and Y folders provided in the Post-processing.zip file as an example, used for a BCN material.

To quickly see how the Python script works, place siesta.STRUCT_OUT and Strained_Vec_Generator_uniax.py in the same folder and run the following command in the linux terminal (for Python 3): $ python3 Strained_Vec_Generator_uniax.py
This will generate strained siesta.fdf files with strained lattice vectors (1-30%) for X and Y directions.
Use the copy.tcl script to copy the run.fdf and C.psf files inside X or Y. Modify the run.fdf in the %block GeometryConstraints before using the copy script. More details in steps to reproduce and in the readme.txt file.

Note: If the material of interest has a non-rectangular unit cell, you can extend the original structure and extract an appropriate rectangular supercell from it. Then, follow the same procedure described in steps to reproduce. Non-rectangular cells don't have the orthogonal X and Y directions as assumed here, and for them it is not trivial to clearly define something like X and Y directions for strain. 

This approach is ideal if the structure is stored in a separate .fdf file. In the example, the SIESTA run parameters are in the file run.fdf, while the structure information is in siesta.fdf (generated after you run the Strained_Vec_Generator_uniax.py script), which is included in run.fdf via
%include siesta.fdf. You may rename these files as desired (e.g., parameters.fdf and structure.fdf), provided that you update the system_label in the script.

For the post-processing part, a script named 2Strain_post_processing.py is provided. After you run all the calculations, use it to output the results automatically. You can extract the .zip file and run $ python3 2Strain_post_processing.py .

This methodology greatly simplifies the investigation of mechanical properties of 2D materials using SIESTA. 
See the readme.txt file for more details.

Associated PhD Thesis available at https://repositorio.ufrn.br/home.
Tittle: Structural, optical, electronic and mechanical properties of two-dimensional BxCyNz based materials.
DOI: 10.17632/rz72pn6j5r.1
title: Strained lattice vectors generator for SIESTA - Uniaxial strain in 2D materials - Set Up and Post-Processing

description: This dataset contains a Python script (Strained_Vec_Generator_uniax.py) and an example demonstrating its use for applying uniaxial strain in both the x and y directions to a graphene structure (a 2D material in the xy-plane). Use the siesta.STRUCT_OUT file to see how the script works.

It also includes a Python script for post-processing the data generated by this procedure (you will need to run the 0% strain case beforehand to obtain the .STRUCT_OUT file from SIESTA, which is provided here as an example). You can use the post-processing script with the X and Y folders provided in the Post-processing.zip file as an example, used for a BCN material.

To quickly see how the Python script works, place siesta.STRUCT_OUT and Strained_Vec_Generator_uniax.py in the same folder and run the following command in the linux terminal (for Python 3): $ python3 Strained_Vec_Generator_uniax.py
This will generate strained siesta.fdf files with strained lattice vectors (1-30%) for X and Y directions.
Use the copy.tcl script to copy the run.fdf and C.psf files inside X or Y. Modify the run.fdf in the %block GeometryConstraints before using the copy script. More details in steps to reproduce and in the readme.txt file.

Note: If the material of interest has a non-rectangular unit cell, you can extend the original structure and extract an appropriate rectangular supercell from it. Then, follow the same procedure described in steps to reproduce. Non-rectangular cells don't have the orthogonal X and Y directions as assumed here, and for them it is not trivial to clearly define something like X and Y directions for strain. 

This approach is ideal if the structure is stored in a separate .fdf file. In the example, the SIESTA run parameters are in the file run.fdf, while the structure information is in siesta.fdf (generated after you run the Strained_Vec_Generator_uniax.py script), which is included in run.fdf via
%include siesta.fdf. You may rename these files as desired (e.g., parameters.fdf and structure.fdf), provided that you update the system_label in the script.

For the post-processing part, a script named 2Strain_post_processing.py is provided. After you run all the calculations, use it to output the results automatically. You can extract the .zip file and run $ python3 2Strain_post_processing.py .

This methodology greatly simplifies the investigation of mechanical properties of 2D materials using SIESTA. 
See the readme.txt file for more details.

Associated PhD Thesis available at https://repositorio.ufrn.br/home.
Tittle: Structural, optical, electronic and mechanical properties of two-dimensional BxCyNz based materials.
DOI: 10.15468/dl.xb5x5d
title: Occurrence Download

description: A dataset containing 24 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Jupiaba iasy",
 "DecimalLatitude is not null",
 "DecimalLongitude is not null"
 ]
}

 The dataset includes 24 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005199-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.17632/bmfhfk362n
title: Real-World Efficacy of Tralokinumab in Atopic Dermatitis Patients With Prior Biologic and JAK Inhibitor Therapy

description: Supplemental Data
DOI: 10.17632/bmfhfk362n.2
title: Real-World Efficacy of Tralokinumab in Atopic Dermatitis Patients With Prior Biologic and JAK Inhibitor Therapy

description: Supplemental Data
DOI: 10.5284/1139373
title: Data from a Construction Integrated Recording at Rocky Lane and Grove Farm, Small Dean Embankment, Buckinghamshire, 2022 (HS2 Phase One)

description: This collection comprises images, site records, reports, spreadsheets, and GIS data from a construction integrated recording (CIR) at Rocky Lane and Grove Farm, Small Dean Embankment, Wendover, Buckinghamshire. This work was undertaken by INFRA Archaeology between January and May 2022 as part of the High Speed 2 Phase 1 rail project. A total of ten potential archaeological features were identified comprising two modern linear features, five undated linear features, and three natural features. A total of eight struck flints were recovered during the works. All the flints were recovered from unstratified contexts and there were no associated archaeological features. The archaeological features identified during the CIR were most likely to represent post-medieval/modern agricultural activity.
DOI: 10.15468/dl.6k7nvk
title: Occurrence Download

description: A dataset containing 497 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Crotalaria sericea",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is Fossil"
 ]
 }
 }
 ]
}

 The dataset includes 497 records from 36 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005201-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.zp7akn
title: Occurrence Download

description: A dataset containing 127691 species occurrences available in GBIF matching the query:
{
 "and" : [
 "DecimalLatitude is -24.1407221708358,-23.1650741582879",
 "DecimalLongitude is 27.0709799833924,28.1883945045875"
 ]
}

 The dataset includes 127691 records from 122 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005117-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.p4axu5
title: Occurrence Download

description: A dataset containing 181 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Curetis saronis"
 ]
}

 The dataset includes 181 records from 13 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005202-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.17632/4c6v8zvcdm
title: Saurashtra: An Indo-Aryan Language Dataset

description: Saurashtra (also spelled Sourashtra or Saurashtri) is a low-resource Indo Aryan language primarily spoken by diaspora communities in southern India, with historical roots in the Saurashtra region of Gujarat. This dataset compiles comprehensive linguistic data, including phonology, syntax, and semantics of the Saurashtra language, offering valuable insights into its structure and usage.
DOI: 10.17632/4c6v8zvcdm.4
title: Saurashtra: An Indo-Aryan Language Dataset

description: Saurashtra (also spelled Sourashtra or Saurashtri) is a low-resource Indo Aryan language primarily spoken by diaspora communities in southern India, with historical roots in the Saurashtra region of Gujarat. This dataset compiles comprehensive linguistic data, including phonology, syntax, and semantics of the Saurashtra language, offering valuable insights into its structure and usage.
DOI: 10.5281/zenodo.17415036
title: Supplementary data for: "Enzyme Reset: Water-Mediated Tautomerization Restores the Catalytic Asparagine in Protein O-Fucosyltransferase 1"

description: This dataset comprises computational data associated with the research article titled "Enzyme Reset: Water-Mediated Tautomerization Restores the Catalytic Asparagine in Protein O-Fucosyltransferase 1". Included are trajectory files generated from molecular dynamics simulations, along with all extracted data utilized in the study.
DOI: 10.5281/zenodo.17415035
title: Supplementary data for: "Enzyme Reset: Water-Mediated Tautomerization Restores the Catalytic Asparagine in Protein O-Fucosyltransferase 1"

description: This dataset comprises computational data associated with the research article titled "Enzyme Reset: Water-Mediated Tautomerization Restores the Catalytic Asparagine in Protein O-Fucosyltransferase 1". Included are trajectory files generated from molecular dynamics simulations, along with all extracted data utilized in the study.
DOI: 10.17632/yz79cwt7t6
title: Replication Package for "Which Investors Drive Anomaly Returns and How?"

description: This repository contains the code and data for the paper "Which Investors Drive Anomaly Returns and How?". Please see the read-me file for details.
DOI: 10.17632/yz79cwt7t6.2
title: Replication Package for "Which Investors Drive Anomaly Returns and How?"

description: This repository contains the code and data for the paper "Which Investors Drive Anomaly Returns and How?". Please see the read-me file for details.
DOI: 10.35097/qf2d3fahq22q5hjx
title: Role of Mg:Al ratio and Pt promotion on mitigating the deactivation of Ni-based Methane Steam Reforming catalysts - Raw data

description: Raw data for ex situ and in situ/operando characterization and catalytic testing
Current address of Enrico Tusini: Stanford Synchrotron Radiation Laboratory, SLAC National Accelerator Laboratory, Menlo Park, CA 94025, USA
Affiliation of Solenn Reguer: Synchrotron SOLEIL, L'Orme des Merisiers, Départementale 128, 91190 Saint Aubin, France
DOI: 10.35097/89wnns8dbfgffjzt
title: Hard X-ray nanotomography reveals anomalous and expected thermal coarsening behaviour of nanoporous gold

description: Ptychographic X-ray computed tomography was used to image nanoporous gold samples, with and without metal oxide additives, following incremental ex situ annealing steps up to 750 °C. Studying the exact same sample volumes following sequential annealing steps allowed accurate 3D imaging of large meso- and macropore systems over extended sample volumes. Extraction of surface area, pore size distribution, and pore connectivity were demonstrated using a skeletonization method. These properties are relevant in the study of functional materials such as catalysts which rely on diffusion processes within the pores. Samples with metal oxide additives were found to be more resistant to thermal annealing and gold ligament coarsening up to 550 °C, while pure nanoporous gold showed a greater loss of specific surface area during the same treatment. An anomalous stabilisation effect was observed during measurements in ambient air, with minimal coarsening observed in sample regions previously exposed to X-rays, and extensive coarsening in neighbouring regions of the same sample which were not previously exposed to X-rays. Thermal annealing of duplicate samples under nitrogen flow eliminated this effect, suggesting the possible formation of a protective surface structure induced by X-ray irradiation of nanoporous gold in air. The same observations may not be visible to conventional bulk sorption or porosimetry methods, showing the benefits of X-ray tomography for quantitative spatially-resolved imaging of porous nanomaterials.
description: The data is 2D slices which are exported from 3D tomo Data
DOI: 10.17632/4vbmfj4ksf
title: EM Replicate

description: This is a copy of the program and data from the paper Supply chain digitalization and corporate innovation: Evidence from China.
DOI: 10.17632/4vbmfj4ksf.5
title: EM Replicate

description: This is a copy of the program and data from the paper Supply chain digitalization and corporate innovation: Evidence from China.
DOI: 10.15468/dl.pkb8ug
title: Occurrence Download

description: A dataset containing 280 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Motacilla alba leucopsis)",
 "Geometry POLYGON((55.000000 4.000000, 157.000000 4.000000, 157.000000 73.000000, 55.000000 73.000000, 55.000000 4.000000))",
 "Month is one of (April, May, June)",
 "Year is greater than or equal to 2014",
 "Year is less than or equal to 2024",
 "HasCoordinate is true",
 {
 "or" : [
 "CoordinateUncertaintyInMeters is null",
 "CoordinateUncertaintyInMeters is less than or equal to 5000"
 ]
 },
 "HasGeospatialIssue is false",
 "BasisOfRecord is one of (Human Observation, Observation, Machine Observation, Specimen)"
 ]
}

 The dataset includes 280 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005203-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.35097/cbx4u9fhfzpdpwds
title: Validating Electron Pair Distribution Function Analysis: The Role of Multiple Scattering, Beam, Measurement, and Processing Parameters

description: Electron pair distribution function (ePDF), combined with four-dimensional scanning transmission electron microscopy (4D-STEM), provides a powerful approach for uncovering detailed information about the local atomic structure and structural variations in disordered materials. However, achieving high accuracy in ePDF analysis requires careful control of experimental and instrumental parameters. In this study, we systematically investigate the effects of key electron optical and measurement parameters on ePDF analysis using simulations as the primary tool, complemented by experimental validation. Specifically, we examine the influence of diffraction angle range, beam convergence semi-angle, detector pixel resolution, sample thickness (multiple scattering effect), noise, and electron beam precession on the resulting ePDF. By integrating multi-slice electron diffraction simulations with experimental diffraction data, we identify optimal conditions for accurate ePDF extraction and provide practical guidelines to improve analysis precision and reliability. These insights contribute to refining ePDF techniques, particularly for applications involving amorphous and nanostructured materials.
description: this is data for a journal publication for Ultramicroscopy
DOI: 10.25413/sun.28554200
title: Nairobi Motorcycle Transit Comparison Dataset: Fuel vs. Electric Vehicle Performance Tracking (2023)

description: This dataset, titled "Nairobi Motorcycle Transit Comparison Dataset," was compiled to document a simulated transition of motorcycle taxis (boda bodas) in Nairobi, Kenya, from internal combustion engine (ICE) to electric motorcycles. The data collection spanned two distinct phases. The baseline phase, conducted from November 13–26, 2023, involved 120 ICE motorcycles. The transition phase, occurring from December 10–21, 2023, included 110 ICE motorcycles as a control group and 9 electric motorcycles as a treatment group. Data were gathered in Nairobi, a major urban center in East Africa, providing a geographically specific context for the data collection. Recognising the limited availability of data on such transitions in African cities, including historical insights from Kenyan urban transport systems [3,5,6], this dataset provides a unique resource for researchers and policymakers.<br>The data collection process utilised multiple instruments and methods. Trip-level data were recorded using GPS tracking devices installed on each motorcycle, capturing location, speed, and distance at 10-second intervals. Financial data, such as revenue, maintenance costs, fuel costs (for ICE motorcycles), and electricity usage (for electric motorcycles), were collected via daily phone-based surveys administered to riders. Energy consumption for the electric motorcycles was measured using wall-plug meters connected to each battery charger. These methods ensured comprehensive tracking of both operational and economic metrics across the two motorcycle types.The dataset is organised into two primary directories: trip_data and daily_data. The trip_data directory contains CSV files with detailed trip-level metrics, including start and end times, distances travelled, and average speeds. The daily_data directory provides aggregated daily summaries in CSV format, encompassing total distance, revenue, and costs. To safeguard rider privacy, location data for the first and last trips of each day are excluded. The dataset is hosted on Mendeley, with a publicly accessible URL provided below, ensuring availability for researchers, editors, and reviewers.<br>This dataset holds substantial reuse potential for various research domains. It offers a valuable resource for investigating urban mobility patterns, the adoption of e-mobility in developing cities, energy demand forecasting, and transportation economics. Researchers can leverage the data to explore operational differences between ICE and electric motorcycles, evaluate economic impacts on riders, or model energy consumption trends.
DOI: 10.25413/sun.28554200.v1
title: Nairobi Motorcycle Transit Comparison Dataset: Fuel vs. Electric Vehicle Performance Tracking (2023)

description: This dataset, titled "Nairobi Motorcycle Transit Comparison Dataset," was compiled to document a simulated transition of motorcycle taxis (boda bodas) in Nairobi, Kenya, from internal combustion engine (ICE) to electric motorcycles. The data collection spanned two distinct phases. The baseline phase, conducted from November 13–26, 2023, involved 120 ICE motorcycles. The transition phase, occurring from December 10–21, 2023, included 110 ICE motorcycles as a control group and 9 electric motorcycles as a treatment group. Data were gathered in Nairobi, a major urban center in East Africa, providing a geographically specific context for the data collection. Recognising the limited availability of data on such transitions in African cities, including historical insights from Kenyan urban transport systems [3,5,6], this dataset provides a unique resource for researchers and policymakers.<br>The data collection process utilised multiple instruments and methods. Trip-level data were recorded using GPS tracking devices installed on each motorcycle, capturing location, speed, and distance at 10-second intervals. Financial data, such as revenue, maintenance costs, fuel costs (for ICE motorcycles), and electricity usage (for electric motorcycles), were collected via daily phone-based surveys administered to riders. Energy consumption for the electric motorcycles was measured using wall-plug meters connected to each battery charger. These methods ensured comprehensive tracking of both operational and economic metrics across the two motorcycle types.The dataset is organised into two primary directories: trip_data and daily_data. The trip_data directory contains CSV files with detailed trip-level metrics, including start and end times, distances travelled, and average speeds. The daily_data directory provides aggregated daily summaries in CSV format, encompassing total distance, revenue, and costs. To safeguard rider privacy, location data for the first and last trips of each day are excluded. The dataset is hosted on Mendeley, with a publicly accessible URL provided below, ensuring availability for researchers, editors, and reviewers.<br>This dataset holds substantial reuse potential for various research domains. It offers a valuable resource for investigating urban mobility patterns, the adoption of e-mobility in developing cities, energy demand forecasting, and transportation economics. Researchers can leverage the data to explore operational differences between ICE and electric motorcycles, evaluate economic impacts on riders, or model energy consumption trends.