cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15468/dl.gm5n5z
title: Occurrence Download

description: A dataset containing 8 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 }
 ]
 },
 "TaxonKey is Hyloscirtus tigrinus Mueses-Cisneros & Anganoy-Criollo, 2008"
 ]
}

 The dataset includes 8 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0039904-240229165702484/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.y2mi9l
title: Occurrence Download

description: A dataset containing 908 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is Spider (JNHM-SP)"
 ]
}

 The dataset includes 908 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006128-160822134323880/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.dc86mx
title: Occurrence Download

description: A dataset containing 254 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Hypericum monanthemum Hook.fil. & Thomson ex Dyer"
 ]
}

 The dataset includes 254 records from 24 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027372-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.dc46ey
title: Occurrence Download

description: A dataset containing 13 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Erysimum chazarjurti N.Busch"
 ]
}

 The dataset includes 13 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0050165-240314170635999/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.mrwfda
title: Occurrence Download

description: A dataset containing 2 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Persea americana var. angustifolia Miranda"
 ]
}

 The dataset includes 2 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006128-170826194755519/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.6vpuzx
title: Occurrence Download

description: A dataset containing 7 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Crepis gaubae Bornm."
 ]
}

 The dataset includes 7 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013700-240314170635999/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.cqa6sq
title: Occurrence Download

description: A dataset containing 62 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Amigdoscalpellum costellatum (Withers, 1935)",
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 {
 "not" : {
 "BasisOfRecord" : [
 "is Fossil"
 ]
 }
 },
 {
 "or" : [
 {
 "not" : {
 "EstablishmentMeans" : [
 "is MANAGED"
 ]
 }
 },
 {
 "not" : {
 "EstablishmentMeans" : [
 "is not null"
 ]
 }
 }
 ]
 },
 {
 "or" : [
 "OccurrenceStatus is Present",
 {
 "not" : {
 "OccurrenceStatus" : [
 "is not null"
 ]
 }
 }
 ]
 }
 ]
}

 The dataset includes 62 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0039906-240229165702484/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.3ur5un
title: Occurrence Download

description: A dataset containing 886656 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Cygnus columbianus (Ord, 1815)"
 ]
}

 The dataset includes 886656 records from 409 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013689-240314170635999/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.pejjft
title: Occurrence Download

description: A dataset containing 4 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Ceratophora karu Pethiyagoda & Manamendra-Arachchi, 1998"
 ]
}

 The dataset includes 4 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006128-171002173027117/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ejzmf5
title: Occurrence Download

description: A dataset containing 41 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is China",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Rhodeus sinensis Günther, 1868"
 ]
}

 The dataset includes 41 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0023259-240216155721649/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ewtfni
title: Occurrence Download

description: A dataset containing 5512 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Italy",
 "Geometry POLYGON ((15.260009765624998 40.07470884163247, 15.260009765624998 41.17534635026889, 16.885986328125 41.17534635026889, 16.885986328125 40.07470884163247, 15.260009765624998 40.07470884163247))"
 ]
}

 The dataset includes 5512 records from 78 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006128-171025204727650/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.xmffzw
title: Occurrence Download

description: A dataset containing 125 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Trimeresurus hageni (Lidth De Jeude, 1886)"
 ]
}

 The dataset includes 125 records from 16 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027294-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.srthy8
title: Occurrence Download

description: A dataset containing 291 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Rhododendron setosum D.Don"
 ]
}

 The dataset includes 291 records from 28 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0023298-240216155721649/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.xatnsa
title: Occurrence Download

description: A dataset containing 7 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Mexico",
 "TaxonKey is Puffinus bulleri Salvin, 1888"
 ]
}

 The dataset includes 7 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006128-171219132708484/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.4yuyj7
title: Occurrence Download

description: A dataset containing 3 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Hypserpa calcicola Takeuchi"
 ]
}

 The dataset includes 3 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027384-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.djujkx
title: Occurrence Download

description: A dataset containing 29 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Aichryson dumosum (Lowe) Praeger"
 ]
}

 The dataset includes 29 records from 15 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0023275-240216155721649/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.n9l8u9
title: Occurrence Download

description: A dataset containing 1293 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Abies pinsapo Boiss."
 ]
}

 The dataset includes 1293 records from 79 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006129-150922153815467/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.8atr3x
title: Occurrence Download

description: A dataset containing 161 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Hypserpa neocaledonica Diels"
 ]
}

 The dataset includes 161 records from 17 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027399-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.g3zhut
title: Occurrence Download

description: A dataset containing 456651 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Polygonum aviculare L."
 ]
}

 The dataset includes 456651 records from 2339 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013785-240314170635999/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.48kk31
title: Occurrence Download

description: A dataset containing 129464 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is Conchological Society of Great Britain & Ireland: marine mollusc records"
 ]
}

 The dataset includes 129464 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006711-171219132708484/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.qd795h
title: Occurrence Download

description: A dataset containing 404580 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Furnarius rufus (Gmelin, 1788)"
 ]
}

 The dataset includes 404580 records from 106 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047609-231002084531237/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.tzdaic
title: Occurrence Download

description: A dataset containing 187 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Pictetia sulcata (P.Beauv.) Beyra & Lavin"
 ]
}

 The dataset includes 187 records from 13 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006712-150615163101818/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.qdex3v
title: Occurrence Download

description: A dataset containing 32 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Mona meridensis (Friedrich) O.Nilsson"
 ]
}

 The dataset includes 32 records from 7 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0056870-231002084531237/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.to4r1j
title: Occurrence Download

description: A dataset containing 650 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Froelichia floridana (Nutt.) Moq."
 ]
}

 The dataset includes 650 records from 43 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006712-160118175350007/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.aqfumt
title: Occurrence Download

description: A dataset containing 23 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Oritrophium cocuyense (Cuatrec.) Cuatrec."
 ]
}

 The dataset includes 23 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0056872-231002084531237/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.11033747
title: Data for "Tetramine Aspect Ratio and Flexibility Determine Framework Symmetry for Zn8L6 Self-Assembled Structures"

description: In the following subdirectories are the input and outputs of cage and face analysis for:

Published DOI: 10.1002/anie.202217987 

Code: sca_cage_assembler

Previously uploaded in 10.5281/zenodo.8432296 and https://github.com/andrewtarzia/citable_data

NOTES:



the naming convention differs from manuscript:





manuscript tetra-aniline
computational label
xtal-label


A
5
370


B
16
326


C
12
235


D
3
301


E
8
257


F
2
354






computational labels are often preceded by `quad2_` or `cl1_quad2_`

much of the analysis was not used in the manuscript but remains part of the accumulated data


 

cage_library directory:



_CS.json: information on all cages in the set of diastereomers - properties and whether they optimized successfully.

_ligand_measures.json: information on the ligand associated with a set of cage diastereomers.

_measures.json: represenets a cleaned up collation of all measures the diastereomers made from a given ligand

C_NAME_optc.mol: optimized (at xTB level) structure of each cage.

set_dft_run directory contains the input and output of the CP2K optimisations of one set of diastereomers


complex_library directory:



contains the optimised structures of both complexes


ligand_library directory:



contains `_opt.mol` input ligand structures for cage construction

for cap, the input was provided manually in `manual/` directory

in `face_analysis` directory:



contains manual_complex directory, with necessary input for face construction

_long_properties.json files contains the measurements for the named face (in file name)

_long_lopt.mol files contain the optimised structure of the named face, on which analysis was performed

`long` corresponds to the longer restricted optimization discussed in the SI.




xray_structures directory:



analysis directory:



contains input .pdb files for xray structure (as single molecules) used in analysis

contains `all_xray_csv_data.csv`, which has all data needed on xray structures.
DOI: 10.5281/zenodo.11033748
title: Data for "Tetramine Aspect Ratio and Flexibility Determine Framework Symmetry for Zn8L6 Self-Assembled Structures"

description: In the following subdirectories are the input and outputs of cage and face analysis for:

Published DOI: 10.1002/anie.202217987 

Code: sca_cage_assembler

Previously uploaded in 10.5281/zenodo.8432296 and https://github.com/andrewtarzia/citable_data

NOTES:



the naming convention differs from manuscript:





manuscript tetra-aniline
computational label
xtal-label


A
5
370


B
16
326


C
12
235


D
3
301


E
8
257


F
2
354






computational labels are often preceded by `quad2_` or `cl1_quad2_`

much of the analysis was not used in the manuscript but remains part of the accumulated data


 

cage_library directory:



_CS.json: information on all cages in the set of diastereomers - properties and whether they optimized successfully.

_ligand_measures.json: information on the ligand associated with a set of cage diastereomers.

_measures.json: represenets a cleaned up collation of all measures the diastereomers made from a given ligand

C_NAME_optc.mol: optimized (at xTB level) structure of each cage.

set_dft_run directory contains the input and output of the CP2K optimisations of one set of diastereomers


complex_library directory:



contains the optimised structures of both complexes


ligand_library directory:



contains `_opt.mol` input ligand structures for cage construction

for cap, the input was provided manually in `manual/` directory

in `face_analysis` directory:



contains manual_complex directory, with necessary input for face construction

_long_properties.json files contains the measurements for the named face (in file name)

_long_lopt.mol files contain the optimised structure of the named face, on which analysis was performed

`long` corresponds to the longer restricted optimization discussed in the SI.




xray_structures directory:



analysis directory:



contains input .pdb files for xray structure (as single molecules) used in analysis

contains `all_xray_csv_data.csv`, which has all data needed on xray structures.
DOI: 10.15468/dl.4gbtug
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is ×Cirsio-carduus hohenackeri Arènes"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0138020-230224095556074/datasets/export for details.
DOI: 10.15468/dl.pv3txi
title: Occurrence Download

description: A dataset containing 45 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Ponerorchis brevicalcarata (Finet) Soó",
 "HasGeospatialIssue is false",
 "HasCoordinate is true"
 ]
}

 The dataset includes 45 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006712-160803222355964/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.qszq5w
title: Occurrence Download

description: A dataset containing 321044 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is one of (Ireland, United Kingdom of Great Britain and Northern Ireland, Portugal, Spain, France, Germany, Belgium, Netherlands, Italy, Greece, Denmark, Norway, Sweden, Finland, Svalbard and Jan Mayen, Estonia, Latvia, Lithuania, Türkiye, Russian Federation, Belarus, Ukraine, Moldova, Republic of, Switzerland, Austria, Poland, Czechia, Hungary, Slovakia, Romania, Bulgaria, Kazakhstan, Armenia, North Macedonia, Albania, Serbia, Montenegro, Kosovo, Bosnia and Herzegovina, Croatia, Slovenia, Cyprus)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Dryopteris dilatata (Hoffm.) A.Gray"
 ]
}

 The dataset includes 321044 records from 858 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0016327-240425142415019/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.3wysrk
title: Occurrence Download

description: A dataset containing 80 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is Total foraminifera counts of multinet M21/4_MSN704"
 ]
}

 The dataset includes 80 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006712-160822134323880/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.gsjpc9
title: Occurrence Download

description: A dataset containing 148648 species occurrences available in GBIF matching the query:
{
 "and" : [
 "OccurrenceStatus is Present",
 "TaxonKey is Bartramia longicauda (Bechstein, 1812)"
 ]
}

 The dataset includes 148648 records from 194 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0138015-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.hppp5n
title: Occurrence Download

description: A dataset containing 5352 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Cirsium nipponicum (Maxim.) Makino"
 ]
}

 The dataset includes 5352 records from 77 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0138025-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.qogmoo
title: Occurrence Download

description: A dataset containing 2 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Lycodon kundui Smith, 1943"
 ]
}

 The dataset includes 2 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006712-171025204727650/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.7tuxye
title: Occurrence Download

description: A dataset containing 101 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Human Observation",
 "Country is France",
 "Year 2005-2017",
 {
 "or" : [
 "DatasetKey is Inventaire National du Patrimoine Naturel : Données des campagnes de Suivi Aérien de la Mégafaune Marine (SAMM) de France métropolitaine",
 "DatasetKey is iNaturalist Research-grade Observations",
 "DatasetKey is naturgucker"
 ]
 },
 "TaxonKey is Balaenopteridae"
 ]
}

 The dataset includes 101 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006712-171124123535762/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.9mbzav
title: Occurrence Download

description: A dataset containing 198 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Human Observation",
 "OccurrenceStatus is Present",
 "TaxonKey is Chelonoidis niger (Quoy & Gaimard, 1824)"
 ]
}

 The dataset includes 198 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0138035-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.nuxmds
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is ×Cirsio-carduus lutetianus Arènes"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0138022-230224095556074/datasets/export for details.
DOI: 10.15468/dl.4wcaj0
title: Occurrence Download

description: A dataset containing 523 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is Aves Argentinas / Asociación Ornitológica del Plata - Colección de registros observacionales de aves silvestres argentinas - Lista Narosky: familia Ardeidae"
 ]
}

 The dataset includes 523 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006713-150615163101818/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.9kk3kp
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is ×Cirsio-carduus parisiensis P.Fourn."
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0138023-230224095556074/datasets/export for details.