cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.12568784
title: RODIN X-ray Diffraction Data 2366178

description: This dataset is part of the Resource of Diffraction Images Newcastle (RODIN), intended for the teaching of crystallography. More information about RODIN can be found on the CCDC website, as well as in the following article: 

J. Chem. Educ. 2024, 101, 10, 4276–4281 DOI: 10.1021/acs.jchemed.4c00797  

RODIN was created for educational purposes and is ideal for teaching at secondary school and University level. We also encourage its use for teaching early-stage researchers crystallographic data processing and training new diffractometer users. The diffraction images from this project can be downloaded from Zenodo and used in teaching. You can use this resource to help students understand how to go from diffraction images to a solved crystal structure. Please note that structures from these datasets are already in the Cambridge Structural Database (CSD) and you should not submit your final structure solution to the CSD or publish them, they are intended for teaching purposes only. The diffraction images are provided under a CC-BY license. 

The zip file contains X-ray diffraction images for Indomethacin collected using STOE instrumentation. A final structure solution for this data can be found in the CSD.

Other measurements for Indomethacin are available using Bruker instrumentation (10.5281/zenodo.11964555) and Rigaku instrumentation (10.5281/zenodo.11489296).

The tables below summarise the data collection parameters for the experiment.

 

General information






Project



Repository of Diffraction Images Newcastle (RODIN)





Collection Site



 STOE, Darmstadt, Germany (measured by John Kollath)





Sample Label

Indomethacin




Linked CCDC number

2366178




CSD Refcode



INDMET11





 

Instrument information






Instrument

Eulerian 4-circle diffractometer




Instrument type

STOE STADIVARI




Instrument manufacturer

STOE




Detector

photon-counting detector




Detector type

EIGER21MCDTE




X-ray source

AntonPaar_Cu




X-ray source type

None




X-ray monochromator

Graded multilayer mirror




 

Experimental information






Collection probe

x-ray




Radiation type

CuK\a




Wavelength (Å)

1.54186




Collection temperature (K)

150.0(2)




Collection pressure



Sample was collected at atmospheric pressure





 

Crystal information






Chemical name



Indomethacin





Chemical formula

C19 H16 Cl N O4




Crystal max size (mm)

0.2




Crystal mid size (mm)

0.07




Crystal min size (mm)

0.07




Crystal colour

colourless




Crystal habit

block




Sample preparation



Re-crystallisation from solvent: Acetonitrile





 

Software information






Software for data collection

X-Area Pilatus3_SV 1.31.175.0 (STOE  2021)




 

File information






Image folders



.\xxx.xi





Image format



.xi





Additional files



X-AREA input files:

./Indomethacin.x 

Crystal Images:

None
DOI: 10.6084/m9.figshare.27188271
title: Crataegus laevigata chorology

description: Distribution map of <i>Crataegus laevigata</i>.These maps were produced by combining numerous and heterogeneous data collected from atlas monographs providing complete species distribution maps, from national to regional atlases, occurrence geo-databases, scientific and grey literature. The maps were created using ESRI shapefiles (*.shp, *.shx, *.dbf, *.prj files) archived in the ZIP file. Species range is mapped with polygon features (name suffix "plg"), which define continuous areas of occupancy of the species, and with point features (name suffix "pnt"), which identify more fragmented and isolated populations. If synanthropic occurrences are reported outside the species natural range, additional point and/or polygon shapefiles are also present (suffix "syn"). Polygon borders delimiting species ranges are generalized across the mainland and sea boundaries. This offers the possibility to mask sea areas or to clip and extract the terrestrial range parts using GIS data layers of the users' choice. An additional version of polygon ranges are clipped with a coastline (name suffix "clip"), which have been derived from Natural Earth dataset "Admin 0 - Countries" 1:50M version 4.1.0 (https://www.naturalearthdata.com).Please cite as: Caudullo, G., Welk, E., San-Miguel-Ayanz, J., 2017. Chorological maps for the main European woody species. Data in Brief 12, 662-666. DOI: doi.org/10.1016/j.dib.2017.05.007Additional information and used references are on 'supplementary materials' document: https://doi.org/10.6084/m9.figshare.5091901Chorological maps are part of the "European Atlas of Forest Tree Species" project: https://w3id.org/mtv/FISE-Comm/v01
DOI: 10.6084/m9.figshare.27188271.v1
title: Crataegus laevigata chorology

description: Distribution map of <i>Crataegus laevigata</i>.These maps were produced by combining numerous and heterogeneous data collected from atlas monographs providing complete species distribution maps, from national to regional atlases, occurrence geo-databases, scientific and grey literature. The maps were created using ESRI shapefiles (*.shp, *.shx, *.dbf, *.prj files) archived in the ZIP file. Species range is mapped with polygon features (name suffix "plg"), which define continuous areas of occupancy of the species, and with point features (name suffix "pnt"), which identify more fragmented and isolated populations. If synanthropic occurrences are reported outside the species natural range, additional point and/or polygon shapefiles are also present (suffix "syn"). Polygon borders delimiting species ranges are generalized across the mainland and sea boundaries. This offers the possibility to mask sea areas or to clip and extract the terrestrial range parts using GIS data layers of the users' choice. An additional version of polygon ranges are clipped with a coastline (name suffix "clip"), which have been derived from Natural Earth dataset "Admin 0 - Countries" 1:50M version 4.1.0 (https://www.naturalearthdata.com).Please cite as: Caudullo, G., Welk, E., San-Miguel-Ayanz, J., 2017. Chorological maps for the main European woody species. Data in Brief 12, 662-666. DOI: doi.org/10.1016/j.dib.2017.05.007Additional information and used references are on 'supplementary materials' document: https://doi.org/10.6084/m9.figshare.5091901Chorological maps are part of the "European Atlas of Forest Tree Species" project: https://w3id.org/mtv/FISE-Comm/v01
DOI: 10.15468/dl.rsv3wz
title: Occurrence Download

description: A dataset containing 34 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "DatasetKey" : [
 "is Global database of alien macrofungi"
 ]
 }
 },
 "TaxonKey is Fusarium euwallaceae S.Freeman, Z.Mendel, T.Aoki & O'Donnell"
 ]
}

 The dataset includes 34 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002827-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5283/epub.59323
title: Data Archive of Strong manipulation of the valley splitting upon twisting and gating in MoSe₂/CrI₃ and WSe₂/CrI₃ van der Waals heterostructures

description: Van der Waals (vdW) heterostructures provide a rich playground to engineer electronic, spin, and optical properties of individual two-dimensional materials. We investigate the twist-angle and gate dependence of the proximity-induced exchange coupling in the monolayer transition-metal dichalcogenides (TMDCs) MoSe2 and WSe2 due to the vdW coupling to the ferromagnetic semiconductor CrI3, from first-principles calculations. A model Hamiltonian, which captures the relevant band edges at the K/K′ valleys of the proximitized TMDCs, is employed to quantify the proximity-induced exchange. Upon twisting from 0∘ to 30∘, we find a transition of the TMDC valence band (VB) edge exchange splitting from about −2 to 2meV, while the conduction band (CB) edge exchange splitting remains nearly unchanged at around −3meV. For the VB of WSe2 (MoSe2) on CrI3, the exchange coupling changes sign at around 8∘ (16∘). We find that even at the angles with almost zero spin splittings of the VB, the real-space spin polarization profile of holes at the band edge is highly nonuniform, with alternating spin up-and spin-down orbitals. Furthermore, a giant tunability of the proximity-induced exchange coupling is provided by a transverse electric field of a few V/nm. Within our first-principles framework, we are limited to commensurate structures, and thus considered a maximum strain of 2.2% for the individual monolayers. By investigating different atomic stacking configurations of the strained supercells, we demonstrate that proximity exchange varies locally in space within experimentally realistic setups. We complement our ab initio results by calculating the excitonic valley splitting to provide experimentally verifiable optical signatures of the proximity exchange. Specifically, we predict that the valley splitting increases almost linearly as a function of the twist angle. Furthermore, the proximity exchange is highly tunable by gating, allowing to tailor the valley splitting in the range of 0 to 12 meV in WSe2/CrI3, which is equivalent to external magnetic fields of up to about 60 T. Our results highlight the important impact of the twist angle and gating when employing magnetic vdW heterostructures in experimental geometries.
DOI: 10.15468/dl.whprev
title: Occurrence Download

description: A dataset containing 182 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Specimen",
 "TaxonKey is Barbosella cucullata (Lindl.) Schltr."
 ]
}

 The dataset includes 182 records from 33 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002830-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.2mvx8w
title: Occurrence Download

description: A dataset containing 229 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Specimen",
 "TaxonKey is Stelis pittieri (Schltr.) Rojas-Alv. & Karremans"
 ]
}

 The dataset includes 229 records from 23 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002831-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.pu4kwb
title: Occurrence Download

description: A dataset containing 8678 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Specimen",
 "TaxonKey is Zapoteca H.M.Hern."
 ]
}

 The dataset includes 8678 records from 263 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002832-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5283/epub.59324
title: Data archive of Electronic and spin-orbit properties of h-BN encapsulated bilayer graphene

description: Van der Waals heterostructures consisting of Bernal bilayer graphene (BLG) and hexagonal boron nitride (hBN) are investigated. By performing first-principles calculations, we capture the essential BLG band structure features for several stacking and encapsulation scenarios. A low-energy model Hamiltonian, comprising orbital and spin-orbit coupling (SOC) terms, is employed to reproduce the hBN-modified BLG dispersion, spin splittings, and spin expectation values. Most important, the hBN layers open an orbital gap in the BLG spectrum, which can range from zero to tens of meV, depending on the precise stacking arrangement of the individual atoms. Therefore, large local band gap variations may arise in experimentally relevant moiré structures. Moreover, the SOC parameters are small (few to tens of µeV), just as in bare BLG, but are markedly proximity modified by the hBN layers. Especially when BLG is encapsulated by monolayers of hBN, such that inversion symmetry is restored, the orbital gap and spin splittings of the bands vanish. In addition, we show that a transverse electric field mainly modifies the potential difference between the graphene layers, which perfectly correlates with the orbital gap for fields up to about 1 V/nm. Moreover, the layer-resolved Rashba couplings are tunable by ∼5µeVperV/nm. Finally, by investigating twisted BLG/hBN structures, with twist angles between 6∘–20∘, we find that the global band gap increases linearly with the twist angle. The extrapolated 0∘ band gap is about 23 meV and results roughly from the average of the stacking-dependent local band gaps. Our investigations give insights into proximity spin physics of hBN/BLG heterostructures, which should be useful for interpreting experiments on extended as well as confined (quantum dot) systems.
DOI: 10.15468/dl.ydbepu
title: Occurrence Download

description: A dataset containing 10 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "DatasetKey" : [
 "is Global database of alien macrofungi"
 ]
 }
 },
 "TaxonKey is Fusarium kuroshium (F.Na, J.D.Carrillo & A.Eskalen ex Sand.-Den. & Crous) O'Donnell, Geiser, Kasson & T.Aoki"
 ]
}

 The dataset includes 10 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002833-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.yb54p5
title: Occurrence Download

description: A dataset containing 1 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is Aislamiento e identificación de hongos ambientales en el campus de la Universidad de Santander - UDES"
 ]
}

 The dataset includes 1 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002835-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.g6474j
title: Occurrence Download

description: A dataset containing 4 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "DatasetKey" : [
 "is Global database of alien macrofungi"
 ]
 }
 },
 "TaxonKey is Graphium kuroshium F.Na, J.D.Carrillo & Eskalen"
 ]
}

 The dataset includes 4 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002839-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.kdpxm9
title: Occurrence Download

description: A dataset containing 30177 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Bombus lucorum (Linnaeus, 1761)",
 "PhylumKey is Arthropoda",
 {
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 }
 ]
 },
 "Year is greater than or equal to 1992",
 "Year is less than or equal to 2012"
 ]
}

 The dataset includes 30177 records from 233 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002840-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5284/1117193
title: Images from a Trial Trench Evaluation and Watching Brief at the Tirley Feeder Connector, 2011

description: This collection comprises site photographs from a trial trench evaluation and watching brief carried out by Network Archaeology at the Tirley Feeder Connector between January and December 2011.
DOI: 10.15468/dl.85sju4
title: Occurrence Download

description: A dataset containing 42345 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is Europe",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Rosa rubiginosa L."
 ]
}

 The dataset includes 42345 records from 511 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002838-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ejmyfz
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Maxillaria verecunda Schltr."
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0032885-230530130749713/datasets/export for details.
DOI: 10.15468/dl.jxcoiy
title: Occurrence Download

description: A dataset containing 41 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Ferocactus latispinus var. spiralis (Karw. ex Pfeiff.) N.P.Taylor"
 ]
}

 The dataset includes 41 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005133-180730143533302/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25549/pcra-c14-24599
title: Letters of Mundell, Thomas, Secretary of Home Reference Missionary Council, PMU, June 1925-July 1927

description: [description english/roman)] Pentecostal Missionary Union [PMU]/Assemblies of God [AoG] Home Reference Missionary Council outgoing correspondence from Home Reference Missionary Council secretary Thomas Mundell, including index for correspondence 109 pages and correspondence 2026 pages. Outgoing letters sent by Mundell on behalf of Assemblies of God [AoG] Home Reference Missionary Council
DOI: 10.15468/dl.9u2xx4
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Noccaea zaffranii F.K.Mey.",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0154991-220831081235567/datasets/export for details.
DOI: 10.15468/dl.972c9y
title: Occurrence Download

description: A dataset containing 290159 species occurrences available in GBIF matching the query:
{
 "and" : [
 "DatasetKey is iNaturalist Research-grade Observations",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Country is one of (Canada, Mexico, United States of America)",
 "EventDate is greater than or equal to 2023-01-04",
 "EventDate is less than or equal to 2023-02-03",
 {
 "not" : {
 "Issue" : [
 "is one of (Basis of record invalid, Coordinate reprojection failed, Coordinate reprojection suspicious, Coordinate precision invalid, Coordinate uncertainty meters invalid, Country mismatch, Country invalid, Geodetic datum invalid, Presumed swapped coordinate, Presumed negated longitude, Presumed negated latitude, Country coordinate mismatch)"
 ]
 }
 }
 ]
}

 The dataset includes 290159 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0018736-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.htsolg
title: Occurrence Download

description: A dataset containing 96 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Bacteria",
 "DecimalLatitude is greater than 28.3726367445502",
 "DecimalLatitude is less than 29.2276409133511",
 "DecimalLongitude is greater than -81.1871558964252",
 "DecimalLongitude is less than -80.3078394697392"
 ]
}

 The dataset includes 96 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005133-180824113759888/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25549/pcra-c14-24473
title: Letters of Mundell, Thomas, Secretary of Home Reference Missionary Council, PMU, June 1925-July 1927

description: [description english/roman)] Pentecostal Missionary Union [PMU]/Assemblies of God [AoG] Home Reference Missionary Council outgoing correspondence from Home Reference Missionary Council secretary Thomas Mundell, including index for correspondence 109 pages and correspondence 2026 pages. Outgoing letters sent by Mundell on behalf of Assemblies of God [AoG] Home Reference Missionary Council
DOI: 10.15468/dl.sewgpp
title: Occurrence Download

description: A dataset containing 84 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is one of (France, Switzerland, Spain, Portugal, Luxembourg, Italy, Andorra, Belgium)",
 "Geometry POLYGON((-9.84808 33.36706,36.05511 33.36706,36.05511 59.34633,-9.84808 59.34633,-9.84808 33.36706))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Gynandromorphus etruscus (Quensel, 1806)"
 ]
}

 The dataset includes 84 records from 23 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0158839-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25549/pcra-c14-24463
title: Letters of Mundell, Thomas, Secretary of Home Reference Missionary Council, PMU, June 1925-July 1927

description: [description english/roman)] Pentecostal Missionary Union [PMU]/Assemblies of God [AoG] Home Reference Missionary Council outgoing correspondence from Home Reference Missionary Council secretary Thomas Mundell, including index for correspondence 109 pages and correspondence 2026 pages. Outgoing letters sent by Mundell on behalf of Assemblies of God [AoG] Home Reference Missionary Council
DOI: 10.15468/dl.57skzr
title: Occurrence Download

description: A dataset containing 744 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Brachymyrmex cordemoyi Forel, 1895"
 ]
}

 The dataset includes 744 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005133-190320150433242/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.zvtp33
title: Occurrence Download

description: A dataset containing 4 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Amalophyllon rubidum (Lem.) Boggan, L.E.Skog & Roalson"
 ]
}

 The dataset includes 4 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0018678-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25549/pcra-c14-17753
title: Minute book no. 9, PMU, AoG GB, HRMC, Aug. 1933 - July 1936

description: [description english/roman)] Pentecostal Missionary Union [PMU]/Assemblies of God [AoG] Home Reference Missionary Council [HRMC] minute Book No. 9 including Home Reference Missionary Council annual statement, 69 pages of index followed by 209 pages of minutes. All matters relating to Assemblies of God [AoG] Home Reference Missionary Council council member appointments, decisions, policy and missionary personnel issues
DOI: 10.15468/dl.6yaknu
title: Occurrence Download

description: A dataset containing 27 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Erythroxylum carajasense (Plowman) Costa-Lima"
 ]
}

 The dataset includes 27 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0184287-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.