cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/cc6cfqp
title: CCDC 189742: Experimental Crystal Structure Determination

description: Related Article: T.H.Lambert, D.W.C.MacMillan|2002|J.Am.Chem.Soc.|124|13646|doi:10.1021/ja028090q
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/cc6cfrq
title: CCDC 189743: Experimental Crystal Structure Determination

description: Related Article: T.H.Lambert, D.W.C.MacMillan|2002|J.Am.Chem.Soc.|124|13646|doi:10.1021/ja028090q
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/cc6gqfs
title: CCDC 192895: Experimental Crystal Structure Determination

description: Related Article: T.H.Lambert, D.W.C.MacMillan|2002|J.Am.Chem.Soc.|124|13646|doi:10.1021/ja028090q
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: 10.15468/dl.nqstar
title: Occurrence Download

description: A dataset containing 3 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Cephalopoda)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1980",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 },
 "Geometry POLYGON((-160 30,-150 30,-150 40,-160 40,-160 30))"
 ]
}

 The dataset includes 3 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0014109-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/cc6gj9g
title: CCDC 192705: Experimental Crystal Structure Determination

description: Related Article: Jan H. Kirchhoff , Matthew R. Netherton, Ivory D. Hills, and Gregory C. Fu|2002|J.Am.Chem.Soc.|124|13662|doi:10.1021/ja0283899
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: 10.15468/dl.ffkdkq
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Amomum magnificum",
 "Country is Seychelles",
 "HasCoordinate is true"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0014110-251009101135966/datasets/export for details.
DOI: 10.5517/cc6j26z
title: CCDC 194190: Experimental Crystal Structure Determination

description: Related Article: D.Stasko, S.P.Hoffmann, Kee-Chan Kim, N.L.P.Fackler, A.S.Larsen, T.Drovetskaya, Fook S.Tham, C.A.Reed, C.E.F.Rickard, P.D.W.Boyd, E.S.Stoyanov|2002|J.Am.Chem.Soc.|124|13869|doi:10.1021/ja012671i
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/cc6j270
title: CCDC 194191: Experimental Crystal Structure Determination

description: Related Article: D.Stasko, S.P.Hoffmann, Kee-Chan Kim, N.L.P.Fackler, A.S.Larsen, T.Drovetskaya, Fook S.Tham, C.A.Reed, C.E.F.Rickard, P.D.W.Boyd, E.S.Stoyanov|2002|J.Am.Chem.Soc.|124|13869|doi:10.1021/ja012671i
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/cc6j281
title: CCDC 194192: Experimental Crystal Structure Determination

description: Related Article: D.Stasko, S.P.Hoffmann, Kee-Chan Kim, N.L.P.Fackler, A.S.Larsen, T.Drovetskaya, Fook S.Tham, C.A.Reed, C.E.F.Rickard, P.D.W.Boyd, E.S.Stoyanov|2002|J.Am.Chem.Soc.|124|13869|doi:10.1021/ja012671i
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/cc6j292
title: CCDC 194193: Experimental Crystal Structure Determination

description: Related Article: D.Stasko, S.P.Hoffmann, Kee-Chan Kim, N.L.P.Fackler, A.S.Larsen, T.Drovetskaya, Fook S.Tham, C.A.Reed, C.E.F.Rickard, P.D.W.Boyd, E.S.Stoyanov|2002|J.Am.Chem.Soc.|124|13869|doi:10.1021/ja012671i
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/cc6j2b3
title: CCDC 194194: Experimental Crystal Structure Determination

description: Related Article: D.Stasko, S.P.Hoffmann, Kee-Chan Kim, N.L.P.Fackler, A.S.Larsen, T.Drovetskaya, Fook S.Tham, C.A.Reed, C.E.F.Rickard, P.D.W.Boyd, E.S.Stoyanov|2002|J.Am.Chem.Soc.|124|13869|doi:10.1021/ja012671i
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: 10.5281/zenodo.15650888
title: Lung Lobe Segmentation and Quantification Dataset
title: Chest CT and Perfusion SPECT Dataset

description: Quantitative lobar lung function provides valuable information for tailoring treatment plans, including surgical planning. However, its clinical application has been limited due to the need for tedious, manual lung lobe segmentation by expert operators. To address this, we present a new thoracic computed tomography (CT)/lung perfusion single-photon emission computed tomography (SPECT) dataset, featuring accurate lung lobe and trachea segmentations.

Database Creation

This database was developed with approval from the Ottawa Hospital Research Ethics Board (Protocol ID: 20220303-01H), using secondary use of clinical data. To create a clinically representative dataset, we retrospectively collected chest CT scans from patients who had undergone lung perfusion SPECT for pre-operative lung function quantification at The Ottawa Hospital. In our local practice, prior diagnostic or low-dose CT images are used for lung lobe segmentation to reduce patient radiation exposure and avoid suboptimal CT image quality. Consequently, the CTs in this dataset encompass a wide range of chest diagnostic and low-dose scans acquired on various CT devices, using diverse image acquisition and reconstruction parameters, with or without contrast, and representing a broad spectrum of anatomical and pathological variations.

Segmentation Methods

The majority of lung lobe segmentations were initially performed semi-automatically using the Hybrid3D™ software (Hermes Medical Solutions, Stockholm, Sweden). Remaining inaccuracies, if any, were corrected using either an in-house trained nnUNet model or manually using the open-source 3DSlicer software. All segmentations were reviewed and validated by a medical physicist and a physician, both with over 10 years of experience. Trachea segmentations were generated using a 3D region-growing algorithm, encompassing the trachea and a few initial generations of bronchi, depending on CT image quality. The trachea and lobar segmentations are mutually exclusive.

Data Characteristics

The dataset includes diagnostic and low-dose CT scans of the thorax, paired with lung perfusion SPECT acquired within an average interval of 61 days. CT scans were obtained using various imaging protocols, with slice thicknesses ranging from 0.8 to 3 mm. Lung perfusion SPECT acquisition followed standardized local clinical practice (74-185 MBq 99mTc-MAA, 128 steps, 8 seconds per step, OSEM reconstruction, 128×128 pixels, 4.83 mm pixel size). SPECT data includes rigidly co-registered reconstructed volumes.

In this first release of the dataset, we have prepared 100 studies, each including the CT scan, the co-registered SPECT scan, and trachea and lung lobe segmentations in NIFTI format. We will continue to refine the segmentation masks and provide additional studies for the community in the near future. Please cite our paper if you use the dataset.
DOI: 10.5517/cc6nlq4
title: CCDC 198546: Experimental Crystal Structure Determination

description: Related Article: Weiping Su, Xiaoying Huang, Jing Li, Huaxiang Fu|2002|J.Am.Chem.Soc.|124|12944|doi:10.1021/ja027830s
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/cc6nlr5
title: CCDC 198547: Experimental Crystal Structure Determination

description: Related Article: M.W.Bouwkamp, P.H.M.Budzelaar, J.Gercama, I.Del H.Morales, J.de Wolf, A.Meetsma, S.I.Troyanov, J.H.Teuben, B.Hessen|2005|J.Am.Chem.Soc.|127|14310|doi:10.1021/ja054544i
description: Related Article: M.W.Bouwkamp, J.de Wolf, I.del H.Morales, J.Gercama, A.Meetsma, S.I.Troyanov, B.Hessen, J.H.Teuben|2002|J.Am.Chem.Soc.|124|12956|doi:10.1021/ja027617w
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: 10.5281/zenodo.12690802
title: Lung Lobe Segmentation and Quantification Dataset
title: Chest CT and Perfusion SPECT Dataset

description: Quantitative lobar lung function provides valuable information for tailoring treatment plans, including surgical planning. However, its clinical application has been limited due to the need for tedious, manual lung lobe segmentation by expert operators. To address this, we present a new thoracic computed tomography (CT)/lung perfusion single-photon emission computed tomography (SPECT) dataset, featuring accurate lung lobe and trachea segmentations.

Database Creation

This database was developed with approval from the Ottawa Hospital Research Ethics Board (Protocol ID: 20220303-01H), using secondary use of clinical data. To create a clinically representative dataset, we retrospectively collected chest CT scans from patients who had undergone lung perfusion SPECT for pre-operative lung function quantification at The Ottawa Hospital. In our local practice, prior diagnostic or low-dose CT images are used for lung lobe segmentation to reduce patient radiation exposure and avoid suboptimal CT image quality. Consequently, the CTs in this dataset encompass a wide range of chest diagnostic and low-dose scans acquired on various CT devices, using diverse image acquisition and reconstruction parameters, with or without contrast, and representing a broad spectrum of anatomical and pathological variations.

Segmentation Methods

The majority of lung lobe segmentations were initially performed semi-automatically using the Hybrid3D™ software (Hermes Medical Solutions, Stockholm, Sweden). Remaining inaccuracies, if any, were corrected using either an in-house trained nnUNet model or manually using the open-source 3DSlicer software. All segmentations were reviewed and validated by a medical physicist and a physician, both with over 10 years of experience. Trachea segmentations were generated using a 3D region-growing algorithm, encompassing the trachea and a few initial generations of bronchi, depending on CT image quality. The trachea and lobar segmentations are mutually exclusive.

Data Characteristics

The dataset includes diagnostic and low-dose CT scans of the thorax, paired with lung perfusion SPECT acquired within an average interval of 61 days. CT scans were obtained using various imaging protocols, with slice thicknesses ranging from 0.8 to 3 mm. Lung perfusion SPECT acquisition followed standardized local clinical practice (74-185 MBq 99mTc-MAA, 128 steps, 8 seconds per step, OSEM reconstruction, 128×128 pixels, 4.83 mm pixel size). SPECT data includes rigidly co-registered reconstructed volumes.

In this first release of the dataset, we have prepared 100 studies, each including the CT scan, the co-registered SPECT scan, and trachea and lung lobe segmentations in NIFTI format. We will continue to refine the segmentation masks and provide additional studies for the community in the near future. Please cite our paper if you use the dataset.
DOI: 10.5517/cc6nls6
title: CCDC 198548: Experimental Crystal Structure Determination

description: Related Article: M.W.Bouwkamp, P.H.M.Budzelaar, J.Gercama, I.Del H.Morales, J.de Wolf, A.Meetsma, S.I.Troyanov, J.H.Teuben, B.Hessen|2005|J.Am.Chem.Soc.|127|14310|doi:10.1021/ja054544i
description: Related Article: M.W.Bouwkamp, J.de Wolf, I.del H.Morales, J.Gercama, A.Meetsma, S.I.Troyanov, B.Hessen, J.H.Teuben|2002|J.Am.Chem.Soc.|124|12956|doi:10.1021/ja027617w
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/cc6nlt7
title: CCDC 198549: Experimental Crystal Structure Determination

description: Related Article: M.W.Bouwkamp, P.H.M.Budzelaar, J.Gercama, I.Del H.Morales, J.de Wolf, A.Meetsma, S.I.Troyanov, J.H.Teuben, B.Hessen|2005|J.Am.Chem.Soc.|127|14310|doi:10.1021/ja054544i
description: Related Article: M.W.Bouwkamp, J.de Wolf, I.del H.Morales, J.Gercama, A.Meetsma, S.I.Troyanov, B.Hessen, J.H.Teuben|2002|J.Am.Chem.Soc.|124|12956|doi:10.1021/ja027617w
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/cc6nm6n
title: CCDC 198561: Experimental Crystal Structure Determination

description: Related Article: R.Tamura, D.Fujimoto, Z.Lepp, K.Misaki, H.Miura, H.Takahashi, T.Ushio, T.Nakai, K.Hirotsu|2002|J.Am.Chem.Soc.|124|13139|doi:10.1021/ja020454r
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/cc6nm7p
title: CCDC 198562: Experimental Crystal Structure Determination

description: Related Article: R.Tamura, D.Fujimoto, Z.Lepp, K.Misaki, H.Miura, H.Takahashi, T.Ushio, T.Nakai, K.Hirotsu|2002|J.Am.Chem.Soc.|124|13139|doi:10.1021/ja020454r
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/cc6nm8q
title: CCDC 198563: Experimental Crystal Structure Determination

description: Related Article: R.Tamura, D.Fujimoto, Z.Lepp, K.Misaki, H.Miura, H.Takahashi, T.Ushio, T.Nakai, K.Hirotsu|2002|J.Am.Chem.Soc.|124|13139|doi:10.1021/ja020454r
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/cc6nm9r
title: CCDC 198564: Experimental Crystal Structure Determination

description: Related Article: R.Tamura, D.Fujimoto, Z.Lepp, K.Misaki, H.Miura, H.Takahashi, T.Ushio, T.Nakai, K.Hirotsu|2002|J.Am.Chem.Soc.|124|13139|doi:10.1021/ja020454r
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/cc6nmbs
title: CCDC 198565: Experimental Crystal Structure Determination

description: Related Article: Bo Liu, R.K.Thalji, P.D.Adams, F.R.Fronczek, M.L.McLaughlin, M.D.Barkley|2002|J.Am.Chem.Soc.|124|13329|doi:10.1021/ja016542d
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/cc6nmp4
title: CCDC 198576: Experimental Crystal Structure Determination

description: Related Article: J.W.Jones, L.N.Zakharov, A.L.Rheingold, H.W.Gibson|2002|J.Am.Chem.Soc.|124|13378|doi:10.1021/ja028306o
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/cc6nmq5
title: CCDC 198577: Experimental Crystal Structure Determination

description: Related Article: J.P.Marino, M.B.Rubio, Ganfeng Cao, A.de Dios|2002|J.Am.Chem.Soc.|124|13398|doi:10.1021/ja026357f
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/cc6nn7q
title: CCDC 198593: Experimental Crystal Structure Determination

description: Related Article: D.Berthier, T.Buffeteau, J.-M.Leger, R.Oda, I.Huc|2002|J.Am.Chem.Soc.|124|13486|doi:10.1021/ja027660j
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/cc6nn8r
title: CCDC 198594: Experimental Crystal Structure Determination

description: Related Article: D.Berthier, T.Buffeteau, J.-M.Leger, R.Oda, I.Huc|2002|J.Am.Chem.Soc.|124|13486|doi:10.1021/ja027660j
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/cc69hkj
title: CCDC 187877: Experimental Crystal Structure Determination

description: Related Article: N.Stanley, V.Sethuraman, P.T.Muthiah, P.Luger, M.Weber|2002|Cryst.Growth Des.|2|631|doi:10.1021/cg020027p
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/cc69ptz
title: CCDC 188071: Experimental Crystal Structure Determination

description: Related Article: Miao Du, Shen-Tan Chen, Xian-He Bu|2002|Cryst.Growth Des.|2|625|doi:10.1021/cg025551a
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/cc69hlk
title: CCDC 187878: Experimental Crystal Structure Determination

description: Related Article: N.Stanley, V.Sethuraman, P.T.Muthiah, P.Luger, M.Weber|2002|Cryst.Growth Des.|2|631|doi:10.1021/cg020027p
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/cc4hh36
title: CCDC 134047: Experimental Crystal Structure Determination

description: Related Article: Ling Huang, Bao-Qing Ma, Chun-Hui Huang, T.C.W.Mak, Guang-Qing Yao, Guang-Xian Xu|2001|J.Coord.Chem.|54|95|doi:10.1080/00958970108027146
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.