cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.15097163
title: Models and samples for ML emulators of Met Office UK CPM

description: Contains model weights and samples for emulators of the Met Office's UK CPM



diffusion.tar.gz: a diffusion-model-based emulator (CPMGEM, workdirs/score-sde/subvpsde/ukcp_local_pr_12em_cncsnpp_continuous/bham-4x_12em_pSTV) and a variant using less data (workdirs/score-sde/subvpsde/ukcp_local_pr_1em_cncsnpp_continuous/bham-4x_1em_pSTV_lowdata)

u-net.tar.gz: a deterministic U-Net emulator (workdirs/score-sde/deterministic/ukcp_local_pr_12em_plain_unet/bham_pSTV-ema-gradcl-256-batch)


Also included are samples of coarsned CPM rainfall downscaled using BCSD, used for comparison (bcsd.tar.gz: workdirs/bcsd-v1/ukcp_local_pr_12em-ws3).

For each model, samples can be found in samples/<CHECKPOINT_ID>/<DATASET>/<XFM_ID>/<SPLIT>/<ENSEMBLE_MEMBER>. e.g. in workdirs/score-sde/subvpsde/ukcp_local_pr_12em_cncsnpp_continuous/bham-4x_12em_pSTV there are folders like samples/epoch_20/bham64_gcm-4x_12em_psl-sphum4th-temp4th-vort4th_pr-historic/bham64_gcm-4x_12em_psl-sphum4th-temp4th-vort4th_pr-pixelmmsstan/test/13

In some cases there are samples path is like samples/<CHECKPOINT_ID>/<DATASET>/<XFM_ID>/<SPLIT>/<ENSEMBLE_MEMBER>/<CONFIG_HASH> where CONFIG_HASH is a hash of the emulator config used to generate the samples. This became useful as tried alternative approaches to generating samples with the same fitted models but mostly these are slightly experimental and not essential to the published work.

For each model, checkpoints directory holds snapshots of model weights from training.

Samples and models were created using code from https://github.com/henryaddison/mlde (in particular, the v0.2.2 tag).
DOI: 10.5281/zenodo.17466547
title: Models and samples for ML emulators of Met Office UK CPM

description: Contains model weights and samples for emulators of the Met Office's UK CPM



diffusion.tar.gz: a diffusion-model-based emulator (CPMGEM, workdirs/score-sde/subvpsde/ukcp_local_pr_12em_cncsnpp_continuous/bham-4x_12em_pSTV) and a variant using less data (workdirs/score-sde/subvpsde/ukcp_local_pr_1em_cncsnpp_continuous/bham-4x_1em_pSTV_lowdata)

u-net.tar.gz: a deterministic U-Net emulator (workdirs/score-sde/deterministic/ukcp_local_pr_12em_plain_unet/bham_pSTV-ema-gradcl-256-batch)


Also included are samples of coarsned CPM rainfall downscaled using BCSD, used for comparison (bcsd.tar.gz: workdirs/bcsd-v1/ukcp_local_pr_12em-ws3).

For each model, samples can be found in samples/<CHECKPOINT_ID>/<DATASET>/<XFM_ID>/<SPLIT>/<ENSEMBLE_MEMBER>. e.g. in workdirs/score-sde/subvpsde/ukcp_local_pr_12em_cncsnpp_continuous/bham-4x_12em_pSTV there are folders like samples/epoch_20/bham64_gcm-4x_12em_psl-sphum4th-temp4th-vort4th_pr-historic/bham64_gcm-4x_12em_psl-sphum4th-temp4th-vort4th_pr-pixelmmsstan/test/13

In some cases there are samples path is like samples/<CHECKPOINT_ID>/<DATASET>/<XFM_ID>/<SPLIT>/<ENSEMBLE_MEMBER>/<CONFIG_HASH> where CONFIG_HASH is a hash of the emulator config used to generate the samples. This became useful as tried alternative approaches to generating samples with the same fitted models but mostly these are slightly experimental and not essential to the published work.

For each model, checkpoints directory holds snapshots of model weights from training.

Samples and models were created using code from https://github.com/henryaddison/mlde (in particular, the v0.2.2 tag).
DOI: 10.15468/dl.ks3qyk
title: Occurrence Download

description: A dataset containing 306 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Crataegus lavallei"
 ]
}

 The dataset includes 306 records from 57 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0021785-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.7c42y9
title: Occurrence Download

description: A dataset containing 76 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-74.52672 -0.73721,-70.10235 -0.73721,-70.10235 1.03409,-74.52672 1.03409,-74.52672 -0.73721))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Chlorostilbon olivaresi"
 ]
}

 The dataset includes 76 records from 7 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0021784-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.17534751
title: Second-life LFP battery dataset

description: The dataset contains 23 second-life LFP batteries. The battery brand is LongTTech. The degradation history of these cells is unknown. Therefore, each battery was subjected to three capacity tests following the standard capacity testing protocol, and the final capacity was determined as the average of the three measurements. The capacity of each cell is indicated in the title of its corresponding dataset.

Each battery was then charged using a standard constant-current/constant-voltage (CC/CV) charging protocol, with a charging current of 1C and a constant voltage of 3.65 V. The charging temperature was maintained at 25 °C.

The dataset includes measurements of date, voltage, current, temperature, and SOC, with a sampling interval of 1 s. The SOC is calculated based on the nominal capacity.  The tests were performed using a Neware battery testing system (CTE-8008T-5V60A). The measurement accuracy of voltage and current is ±0.05%, and the temperature measurement accuracy is ±1 °C.
DOI: 10.5281/zenodo.4312608
title: Surface texture analysis in Toothfrax and MountainsMap® SSFA module: Different software packages, different results? [ConfoMap analysis]

description: This record is a supplementary material to the pre-print with the DOI 10.5281/zenodo.7219877.


It contains the results of the 3D surface texture analysis on surfaces from three datasets: 



	
Sheep's teeth
	
Guinea pig's teeth
	
Lithic flakes



Each surface has been processed in batch with a template. The result of the analysis on each surface is saved in MNT format (including all original and processed surfaces, as well as results) and exported to a PDF file.


Ultimately, the results are collated into CSV files (see 10.5281/zenodo.7219855).


The analysis has been performed with ConfoMap (a derivative of MountainsMap) v. 8.2.9767.
DOI: 10.5281/zenodo.6645445
title: Surface texture analysis in Toothfrax and MountainsMap® SSFA module: Different software packages, different results? [ConfoMap analysis]

description: This record is a supplementary material to the pre-print with the DOI 10.5281/zenodo.7219877.


It contains the results of the 3D surface texture analysis on surfaces from three datasets: 



	
Sheep's teeth
	
Guinea pig's teeth
	
Lithic flakes



Each surface has been processed in batch with a template. The result of the analysis on each surface is saved in MNT format (including all original and processed surfaces, as well as results) and exported to a PDF file.


Ultimately, the results are collated into CSV files (see 10.5281/zenodo.7219855).


The analysis has been performed with ConfoMap (a derivative of MountainsMap) v. 8.2.9767.
DOI: 10.5683/sp2/sjwlpk
title: Enquête longitudinale auprès des parents séparés et recomposés du Québec

description: Cet ensemble de données regroupe les métadonnées en lien avec l'Enquête longitudinale auprès des parents séparés et recomposés du Québec. Il contient les questionnaires pour le volet parent et le volet beau-parent, les dictionnaires des variables pour les données parent, beau-parent et les variables économiques, ainsi que les documents d'opérationnalisation des variables.
DOI: 10.15468/dl.4b8ter
title: Occurrence Download

description: A dataset containing 17 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Specimen",
 "Country is one of (Thailand, India, Myanmar, Nepal)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Clematis siamensis"
 ]
}

 The dataset includes 17 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0021786-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.13321476
title: Test Resources

description: https://eol-jira.bibalex.org/browse/DATA-1882
Created: 2024-06-27 01:22:10 PM
DOI: 10.5281/zenodo.13321477
title: Test Resources

description: https://eol-jira.bibalex.org/browse/DATA-1882
Created: 2024-06-27 01:22:10 PM
DOI: 10.15468/dl.exv7ry
title: Occurrence Download

description: A dataset containing 255368 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 one of (Hydnora abyssinica, Leersia denudata, Jacksonia racemosa, Jacksonia argentea, Diplazium dilatatum, Jacksonia viscosa, Galanthus nivalis, Banksia micrantha, Eriachne mucronata, Eriachne nervosa, Eriachne tenuiculmis, Jacksonia rhadinoclona, Aethionema erzincanum, Parolinia ornata, Osteospermum corymbosum, Vernonia adulteriana, Urtica membranacea, Urtica magellanica, Sarcozona bicarinata, Anthyllis warnieri, Leucosidea sericea, Eschscholzia parishii, Coccocypselum hirsutum, Galanthus trojanus, Abies pinsapo, Monotropa coccinea, Leionema scopulinum, Scabiosa farinosa, Cephalophyllum staminodiosum, Aethionema yildirimlii, Osteospermum polygaloides, Osteospermum subulatum, Scabiosa ochroleuca, Diosma tenella, Coreocarpus dissectus, Sternbergia candida, Smelowskia ovalis, Jacksonia lanicarpa, Jacksonia rigida, Scabiosa vestina, Banksia attenuata, Banksia ilicifolia, Banksia solandri, Eriachne pauciflora, Dicentra uniflora, Parolinia schizogynoides, Diosma dichotoma, Pogogyne zizyphoroides, Volkameria inermis, Leionema westonii, Galanthus cilicicus, Abies numidica, Lampranthus productus, Matthiola montana, Mammillaria petrophila, Piscidia mollis, Anthyllis splendens, Anthyllis subsimplex, Bulnesia chilensis, Nassauvia digitata, Scabiosa libyca, Scabiosa atropurpurea, Scabiosa daucoides, Jacksonia odontoclada, Parietaria floridana, Scabiosa beauverdiana, Banksia aemula, Banksia ornata, Osteospermum dentatum, Osteospermum grandiflorum, Minuria macrocephala, Geraea viscida, Rauvolfia tetraphylla, Lampranthus disgregus, Anthyllis currasii, Ageratum conyzoides, Leucanthemum coronopifolium, Galanthus gracilis, Lampranthus schlechteri, Paracaryum hedgei, Scabiosa delminiana, Banksia falcata, Banksia tricuspis, Banksia violacea, Cephalophyllum regale, Cephalophyllum tetrastichum, Klasea yunus-emrei, Osteospermum triquetrum, Milium schmidtianum, Lepyrodia verruculosa, Lysiosepalum abollatum, Pseudarthria hookeri, Parietaria debilis, Scabiosa tenuis, Struthiola recta, Struthiola martiana, Aethionema heterocarpum, Aethionema huber-morathii, Banksia grandis)",
 "Year is greater than or equal to 1950"
 ]
}

 The dataset includes 255368 records from 1569 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0021770-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.22008/fk2/iw73uu/sam4sv
title: KPC_L_day.nc

description: Uploaded with pyDataverse 2023-03-30 11:22
DOI: 10.22008/fk2/iw73uu/ohdoxx
title: KPC_L_month.nc

description: Uploaded with pyDataverse 2023-03-30 11:22
DOI: 10.22008/fk2/iw73uu/4hdyfk
title: KPC_U_day.csv

description: Uploaded with pyDataverse 2023-03-30 11:22
DOI: 10.15468/dl.3pj35z
title: Occurrence Download

description: A dataset containing 4298444 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is United Kingdom of Great Britain and Northern Ireland",
 "Year is greater than or equal to 1970",
 "Year is less than 1979",
 {
 "or" : [
 "TaxonKey is Amphibia",
 "TaxonKey is Aves",
 "TaxonKey is Insecta",
 "TaxonKey is Mammalia",
 "TaxonKey is Fungi",
 "TaxonKey is Plantae",
 "TaxonKey is Chordata"
 ]
 },
 "HasCoordinate is true"
 ]
}

 The dataset includes 4298444 records from 646 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0024839-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.22008/fk2/iw73uu/bwynbb
title: KPC_U_hour.csv

description: Uploaded with pyDataverse 2023-03-30 11:23
DOI: 10.22008/fk2/iw73uu/xaeezr
title: KPC_U_month.csv

description: Uploaded with pyDataverse 2023-03-30 11:23
DOI: 10.22008/fk2/iw73uu/vwhlhd
title: KPC_U_hour.nc

description: Uploaded with pyDataverse 2023-03-30 11:23
DOI: 10.22008/fk2/iw73uu/lh5hyo
title: KPC_U_day.nc

description: Uploaded with pyDataverse 2023-03-30 11:23
DOI: 10.22008/fk2/iw73uu/lp5t3x
title: KPC_U_month.nc

description: Uploaded with pyDataverse 2023-03-30 11:23
DOI: 10.22008/fk2/iw73uu/8xalum
title: MIT_hour.csv

description: Uploaded with pyDataverse 2023-03-30 11:23
DOI: 10.22008/fk2/iw73uu/ob3j89
title: MIT_day.csv

description: Uploaded with pyDataverse 2023-03-30 11:23
DOI: 10.22008/fk2/iw73uu/2qmj5s
title: MIT_month.csv

description: Uploaded with pyDataverse 2023-03-30 11:23
DOI: 10.7910/dvn/qniy4w
title: COVID-19 Vaccine Effectiveness and Barriers to Vaccination: Comparing Perceptions Based on Vaccination Status.

description: Excerpts from de-identified focus group transcript(s)
DOI: 10.22008/fk2/iw73uu/pksb2j
title: MIT_hour.nc

description: Uploaded with pyDataverse 2023-03-30 11:23
DOI: 10.5517/cc4w68g
title: CCDC 145305: Experimental Crystal Structure Determination

description: Related Article: I.Ino, Liang Ping Wu, M.Munakata, M.Maekawa, Y.Suenaga, T.Kuroda-Sowa, Y.Kitamori|2000|Inorg.Chem.|39|2146|doi:10.1021/ic991261g
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/cc4w69h
title: CCDC 145306: Experimental Crystal Structure Determination

description: Related Article: I.Ino, Liang Ping Wu, M.Munakata, M.Maekawa, Y.Suenaga, T.Kuroda-Sowa, Y.Kitamori|2000|Inorg.Chem.|39|2146|doi:10.1021/ic991261g
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/cc4w6bj
title: CCDC 145307: Experimental Crystal Structure Determination

description: Related Article: I.Ino, Liang Ping Wu, M.Munakata, M.Maekawa, Y.Suenaga, T.Kuroda-Sowa, Y.Kitamori|2000|Inorg.Chem.|39|2146|doi:10.1021/ic991261g
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/cc4w6ck
title: CCDC 145308: Experimental Crystal Structure Determination

description: Related Article: I.Ino, Liang Ping Wu, M.Munakata, M.Maekawa, Y.Suenaga, T.Kuroda-Sowa, Y.Kitamori|2000|Inorg.Chem.|39|2146|doi:10.1021/ic991261g
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/cc4w6gn
title: CCDC 145311: Experimental Crystal Structure Determination

description: Related Article: D.Freedman, A.Kornienko, T.J.Emge, J.G.Brennan|2000|Inorg.Chem.|39|2168|doi:10.1021/ic9913278
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/cc4w6hp
title: CCDC 145312: Experimental Crystal Structure Determination

description: Related Article: R.Brochler, I.H.T.Sham, M.Bodenbinder, V.Schmitz, S.J.Rettig, J.Trotter, H.Willner, F.Aubke|2000|Inorg.Chem.|39|2172|doi:10.1021/ic991331j
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/cc4w6jq
title: CCDC 145313: Experimental Crystal Structure Determination

description: Related Article: O.R.Evans, Wenbin Lin|2000|Inorg.Chem.|39|2189|doi:10.1021/ic991360u
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/cc4w6kr
title: CCDC 145314: Experimental Crystal Structure Determination

description: Related Article: O.R.Evans, Wenbin Lin|2000|Inorg.Chem.|39|2189|doi:10.1021/ic991360u
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/cc3d7xm
title: CCDC 101150: Experimental Crystal Structure Determination

description: Related Article: E.Fanghanel, H.Bartossek, U.Baumeister, M.Biedermann, H.Hartung|1998|J.Heterocycl.Chem.|35|1449|doi:10.1002/jhet.5570350639
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/cc4w6ls
title: CCDC 145315: Experimental Crystal Structure Determination

description: Related Article: O.R.Evans, Wenbin Lin|2000|Inorg.Chem.|39|2189|doi:10.1021/ic991360u
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/cc3xkvd
title: CCDC 116834: Experimental Crystal Structure Determination

description: Related Article: E.Fanghanel, H.Bartossek, U.Baumeister, M.Biedermann, H.Hartung|1998|J.Heterocycl.Chem.|35|1449|doi:10.1002/jhet.5570350639
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/cc4fqmw
title: CCDC 132358: Experimental Crystal Structure Determination

description: Related Article: G.Nardin, L.Randaccio, G.Tauzher|2000|Inorg.Chim.Acta|299|263|doi:10.1016/S0020-1693(99)00476-4
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/cc3tymg
title: CCDC 114316: Experimental Crystal Structure Determination

description: Related Article: J.Simaan, S.Poussereau, G.Blondin, J.-J.Girerd, D.Defaye, C.Philouze, J.Guilhem, L.Tchertanov|2000|Inorg.Chim.Acta|299|221|doi:10.1016/S0020-1693(99)00502-2
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/cc4fqnx
title: CCDC 132359: Experimental Crystal Structure Determination

description: Related Article: G.Nardin, L.Randaccio, G.Tauzher|2000|Inorg.Chim.Acta|299|263|doi:10.1016/S0020-1693(99)00476-4
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/cc3tynh
title: CCDC 114317: Experimental Crystal Structure Determination

description: Related Article: J.Simaan, S.Poussereau, G.Blondin, J.-J.Girerd, D.Defaye, C.Philouze, J.Guilhem, L.Tchertanov|2000|Inorg.Chim.Acta|299|221|doi:10.1016/S0020-1693(99)00502-2
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/cc3z2pt
title: CCDC 118286: Experimental Crystal Structure Determination

description: Related Article: Shu-zhong Zhan, Dong Guo, Xiu-ying Zhang, Chen-xia Du, Yu Zhu, Rui-na Yang|2000|Inorg.Chim.Acta|298|57|doi:10.1016/S0020-1693(99)00411-9
description: Related Article: Xiu Ying Zhang, Dong Guo, Jun Ming Tang, Shu Zhong Zhan, Qing Zi Han, Chen Xia Du, Yu Zhu, Rui Na Yang|1999|Chin.Chem.Lett.|10|975|
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/cc3x9dp
title: CCDC 116572: Experimental Crystal Structure Determination

description: Related Article: Ha-Jin Lee, Dong-Youn Noh|2000|Polyhedron|19|425|doi:10.1016/S0277-5387(99)00379-4
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.