cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccwpg77
title: CCDC 824979: Experimental Crystal Structure Determination

description: Related Article: O.Kundrat, V.Eigner, H.Dvorakova, P.Lhotak|2011|Org.Lett.|13|4032|doi:10.1021/ol201546y
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/ccxcgtj
title: CCDC 845178: Experimental Crystal Structure Determination

description: Related Article: Chao Wang, D.M.Flanigan, L.N.Zakharov, P.R.Blakemore|2011|Org.Lett.|13|4024|doi:10.1021/ol201539d
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: 10.13140/rg.2.2.21263.76964
title: محكم بحوث علمية معتمد في مجال القانون الخاص بالمجلة العلمية لجامعة الملك فيصل، بالمملكة العربية السعودية، منذ 2020 حتى تاريخه، شهادة تفيد بالتحكيم معتمدة من سعادة رئيس هيئة التحرير بالمجلة.
DOI: 10.5517/ccwy3tq
title: CCDC 832344: Experimental Crystal Structure Determination

description: Related Article: P.V.Ramachandran, A.Tafelska-Kaczmarek, K.Sakavuyi|2011|Org.Lett.|13|4044|doi:10.1021/ol201551y
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/ccwtpgt
title: CCDC 829047: Experimental Crystal Structure Determination

description: Related Article: A.R.Bogdan, K.James|2011|Org.Lett.|13|4060|doi:10.1021/ol201567s
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/ccwtphv
title: CCDC 829048: Experimental Crystal Structure Determination

description: Related Article: A.R.Bogdan, K.James|2011|Org.Lett.|13|4060|doi:10.1021/ol201567s
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/ccwtpjw
title: CCDC 829049: Experimental Crystal Structure Determination

description: Related Article: A.R.Bogdan, K.James|2011|Org.Lett.|13|4060|doi:10.1021/ol201567s
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/ccwtpkx
title: CCDC 829050: Experimental Crystal Structure Determination

description: Related Article: A.R.Bogdan, K.James|2011|Org.Lett.|13|4060|doi:10.1021/ol201567s
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/ccwtq6l
title: CCDC 829070: Experimental Crystal Structure Determination

description: Related Article: A.R.Bogdan, K.James|2011|Org.Lett.|13|4060|doi:10.1021/ol201567s
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/cctzc9f
title: CCDC 773955: Experimental Crystal Structure Determination

description: Related Article: A.Basheer, M.Mishima, I.Marek|2011|Org.Lett.|13|4076|doi:10.1021/ol201581c
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/ccwv3tm
title: CCDC 829461: Experimental Crystal Structure Determination

description: Related Article: A.R.Bogdan, K.James|2011|Org.Lett.|13|4060|doi:10.1021/ol201567s
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: 10.13140/rg.2.2.11688.96007
title: نسبت بین آزادی جمعی و آزادی فردی در اندیشه شهید بهشتی
DOI: 10.13140/rg.2.2.23433.01127
title: Processo e implementação de Políticas de Inovação em três universidades públicas brasileiras  Process and implementation of innovation policies in three Brazilian public universities
DOI: 10.5517/ccvn5wj
title: CCDC 793968: Experimental Crystal Structure Determination

description: Related Article: A.Basheer, M.Mishima, I.Marek|2011|Org.Lett.|13|4076|doi:10.1021/ol201581c
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/ccwshgl
title: CCDC 827900: Experimental Crystal Structure Determination

description: Related Article: Zi-Qiang Rong, Min-Qiang Jia, Shu-Li You|2011|Org.Lett.|13|4080|doi:10.1021/ol201595f
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: 10.13140/rg.2.2.32660.48007
title: MNSH Wells 2017
DOI: 10.5517/ccxch1s
title: CCDC 845185: Experimental Crystal Structure Determination

description: Related Article: E.Giovanelli, S.Leroux, L.Moisan, H.Carreyre, P.Thuery, D.-A.Buisson, A.Meddour, J.-M.Coustard, S.Thibaudeau, B.Rousseau, M.Nicolas, P.Hellier, E.Doris|2011|Org.Lett.|13|4116|doi:10.1021/ol201637m
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/ccxch2t
title: CCDC 845186: Experimental Crystal Structure Determination

description: Related Article: Huan Liang, Lin Hu, E.J.Corey|2011|Org.Lett.|13|4120|doi:10.1021/ol201640y
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: 10.13140/rg.2.2.16302.69441
title: Final report Consultant for stock market in real estates
DOI: 10.5517/ccvvr7n
title: CCDC 800272: Experimental Crystal Structure Determination

description: Related Article: M.Presset, K.Mohanan, M.Hamann, Y.Coquerel, J.Rodriguez|2011|Org.Lett.|13|4124|doi:10.1021/ol2016669
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.eeyqdx
title: Occurrence Download

description: A dataset containing 171352 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Henicorhina leucosticta (Cabanis, 1847)"
 ]
}

 The dataset includes 171352 records from 247 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0001619-250218110819086/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.14864749
title: ¹H,¹³C HSQC NMR Spectra (Supplemental Data to "Network Flow Methods for NMR-Based Compound Identification")

description: The dataset contains pre-processed ¹H and ¹H,¹³C HSQC NMR spectra of mixtures containing up to 34 individual compounds, including: 9-anthracenecarboxylic acid, anthranilic acid, 1,2,3-benzenetricarboxylic acid, 1,2,4-benzenetricarboxylic acid, benzoic acid, biotin, citric acid, L-cysteine, D-glucose, L-glutamic acid, L-glutamine, 4-hydroxybenzoic acid, 4-hydroxycinnamic acid, L-isoleucine, L-leucine, malonic acid, D-mannose, L-methionine, nicotinic acid, octanoic acid, L-phenylalanine, 4-phenylbutanoic acid, pimelic acid, L-proline, L-rhamnose, raffinose, succinic acid, L-tartaric acid, tetradecanoic acid, trans-cinnamic acid, L-tryptophane, L-tyrosine, vanillic acid, D-xylose. The mixtures with the following compositions and concentrations were prepared in DMSO-d₆ spiked with 3-(trimethylsilyl)propionic-2,2,3,3-d₄ acid sodium salt (TSP-d₄) as internal standard:

Ia–Ic: Mixtures, containing all 34 compounds in identical concentrations (Ia: 3.0 mM, Ib: 0.3 mM, Ic: 0.03 mM);IIa–IIc: Mixtures, containing four selected compounds (1,2,3-benzenetricarboxylic acid, D-glucose, pimelic acid, L-tyrosine) in identical concentrations (IIa: 30 mM, IIb: 3.0 mM, IIc: 0.3 mM);IIIa–IIIc: Mixtures, containing the four selected compounds of mixtures IIa–IIc in identical concentrations (IIIa: 15.15 mM, IIIb: 1.65 mM, IIIc: 0.3 mM) along with the remaining 30 compounds at lower concentration (0.15 mM).

The files designated as "nmr_<MIX_ID>_01.txt.gz" contain the corresponding ¹H,¹³C HSQC spectra of these mixtures. "nmr_IIa_1H.csv.gz" contains the 1D ¹H spectrum of mixture IIa for testing the applicablity of the MCF method for 1D spectra reconstruction. (Please note that the ¹H chemical shifts and peak proportionalities for the 1D test case were derived from the corresponding ¹H,¹³C HSQC spectra and that a complete implementation of 1D NMR data analysis would require a database of 1D spectra.) The file "peaklists_compounds.csv" includes the ¹H and ¹³C chemical shifts and corresponding integral values for all compounds derived from their individual HSQC spectra.

Comprehensive details on mixture preparations, NMR data acquisition, and processing are available in the accompanying publication.
DOI: 10.5281/zenodo.14864750
title: ¹H,¹³C HSQC NMR Spectra (Supplemental Data to "Network Flow Methods for NMR-Based Compound Identification")

description: The dataset contains pre-processed ¹H and ¹H,¹³C HSQC NMR spectra of mixtures containing up to 34 individual compounds, including: 9-anthracenecarboxylic acid, anthranilic acid, 1,2,3-benzenetricarboxylic acid, 1,2,4-benzenetricarboxylic acid, benzoic acid, biotin, citric acid, L-cysteine, D-glucose, L-glutamic acid, L-glutamine, 4-hydroxybenzoic acid, 4-hydroxycinnamic acid, L-isoleucine, L-leucine, malonic acid, D-mannose, L-methionine, nicotinic acid, octanoic acid, L-phenylalanine, 4-phenylbutanoic acid, pimelic acid, L-proline, L-rhamnose, raffinose, succinic acid, L-tartaric acid, tetradecanoic acid, trans-cinnamic acid, L-tryptophane, L-tyrosine, vanillic acid, D-xylose. The mixtures with the following compositions and concentrations were prepared in DMSO-d₆ spiked with 3-(trimethylsilyl)propionic-2,2,3,3-d₄ acid sodium salt (TSP-d₄) as internal standard:

Ia–Ic: Mixtures, containing all 34 compounds in identical concentrations (Ia: 3.0 mM, Ib: 0.3 mM, Ic: 0.03 mM);IIa–IIc: Mixtures, containing four selected compounds (1,2,3-benzenetricarboxylic acid, D-glucose, pimelic acid, L-tyrosine) in identical concentrations (IIa: 30 mM, IIb: 3.0 mM, IIc: 0.3 mM);IIIa–IIIc: Mixtures, containing the four selected compounds of mixtures IIa–IIc in identical concentrations (IIIa: 15.15 mM, IIIb: 1.65 mM, IIIc: 0.3 mM) along with the remaining 30 compounds at lower concentration (0.15 mM).

The files designated as "nmr_<MIX_ID>_01.txt.gz" contain the corresponding ¹H,¹³C HSQC spectra of these mixtures. "nmr_IIa_1H.csv.gz" contains the 1D ¹H spectrum of mixture IIa for testing the applicablity of the MCF method for 1D spectra reconstruction. (Please note that the ¹H chemical shifts and peak proportionalities for the 1D test case were derived from the corresponding ¹H,¹³C HSQC spectra and that a complete implementation of 1D NMR data analysis would require a database of 1D spectra.) The file "peaklists_compounds.csv" includes the ¹H and ¹³C chemical shifts and corresponding integral values for all compounds derived from their individual HSQC spectra.

Comprehensive details on mixture preparations, NMR data acquisition, and processing are available in the accompanying publication.
DOI: 10.5281/zenodo.14888536
title: ¹H,¹³C HSQC NMR Spectra (Supplemental Data to "Network Flow Methods for NMR-Based Compound Identification")

description: The dataset contains pre-processed ¹H and ¹H,¹³C HSQC NMR spectra of mixtures containing up to 34 individual compounds, including: 9-anthracenecarboxylic acid, anthranilic acid, 1,2,3-benzenetricarboxylic acid, 1,2,4-benzenetricarboxylic acid, benzoic acid, biotin, citric acid, L-cysteine, D-glucose, L-glutamic acid, L-glutamine, 4-hydroxybenzoic acid, 4-hydroxycinnamic acid, L-isoleucine, L-leucine, malonic acid, D-mannose, L-methionine, nicotinic acid, octanoic acid, L-phenylalanine, 4-phenylbutanoic acid, pimelic acid, L-proline, L-rhamnose, raffinose, succinic acid, L-tartaric acid, tetradecanoic acid, trans-cinnamic acid, L-tryptophane, L-tyrosine, vanillic acid, D-xylose. The mixtures with the following compositions and concentrations were prepared in DMSO-d₆ spiked with 3-(trimethylsilyl)propionic-2,2,3,3-d₄ acid sodium salt (TSP-d₄) as internal standard:

Ia–Ic: Mixtures, containing all 34 compounds in identical concentrations (Ia: 3.0 mM, Ib: 0.3 mM, Ic: 0.03 mM);IIa–IIc: Mixtures, containing four selected compounds (1,2,3-benzenetricarboxylic acid, D-glucose, pimelic acid, L-tyrosine) in identical concentrations (IIa: 30 mM, IIb: 3.0 mM, IIc: 0.3 mM);IIIa–IIIc: Mixtures, containing the four selected compounds of mixtures IIa–IIc in identical concentrations (IIIa: 15.15 mM, IIIb: 1.65 mM, IIIc: 0.3 mM) along with the remaining 30 compounds at lower concentration (0.15 mM).

The files designated as "nmr_<MIX_ID>_01.txt.gz" contain the corresponding ¹H,¹³C HSQC spectra of these mixtures. "nmr_IIa_1H.csv.gz" contains the 1D ¹H spectrum of mixture IIa for testing the applicablity of the MCF method for 1D spectra reconstruction. (Please note that the ¹H chemical shifts and peak proportionalities for the 1D test case were derived from the corresponding ¹H,¹³C HSQC spectra and that a complete implementation of 1D NMR data analysis would require a database of 1D spectra.) The file "peaklists_compounds.csv" includes the ¹H and ¹³C chemical shifts and corresponding integral values for all compounds derived from their individual HSQC spectra.

Comprehensive details on mixture preparations, NMR data acquisition, and processing are available in the accompanying publication.
DOI: 10.5281/zenodo.14621676
title: Study of sensor positioning and ventilation strategies in classrooms

description: This dataset contains multi-sensor measurements collected from classrooms in schools and universities over several months. It includes data on humidity, carbon dioxide (CO₂), temperature, and particulate matter, among others. A key feature is the inclusion of occupancy data, indicating the number of students present during each measurement, and ventilation types, such as open or closed windows and doors. Additionally, the dataset documents the spatial positioning of sensors within the classrooms.

The dataset is intended to support studies on air dynamics in classrooms, providing insights into how ventilation conditions affect indoor air quality. It also aids in determining optimal sensor placement for accurate and representative monitoring. This comprehensive dataset serves as a valuable resource for researchers aiming to enhance air quality and ventilation strategies in educational settings.

Citation request: Please cite the following paper when using this dataset: Marín et al., The reliability of CO₂ measurements using low-cost sensors: a study of sensor positioning and ventilation strategies in classrooms, Indoor Air, 2025.
description: TairC1: Air temperature measured by the sensor S11 (ºC)

RHC1: Relative humidity measured by the sensor S11 (%)

DewPointC1: Dew point measured by the sensor S11 (ºC)

CO2C1: CO2 measured by the sensor S11 (ppm)

 

TairC2: Air temperature measured by the sensor S12 (ºC)

RHC2: Relative humidity measured by the sensor S12 (%)

DewPointC2: Dew point measured by the sensor S12 (ºC)

CO2C2: CO2 measured by the sensor S12 (ppm)

 

TairD: Air temperature measured by the sensor S2 (ºC)

TgD: Globe thermometer temperature measured by the sensor S2 (ºC)

PrD: Air pressure measured by the sensor S2 (Pa)

RHD: Relative humidity measured by the sensor S2 (%)

VaD: Air velocity measured by the sensor S2 (m/s)

VOCD: VOC measured by the sensor S2 (ug/m3)

CO2D: CO2 measured by the sensor S2 (ppm)

 

CO2R: CO2 measured by the sensor S3 (ppm)

RHR: Relative humidity measured by the sensor S3 (%)

PM01R: PM01 measured by the sensor S3 (ug/m3)

PM2.5R: PM2.5 measured by the sensor S3 (ug/m3)

PM10R: PM10 measured by the sensor S3 (ug/m3)

 

TairE: Air temperature measured by the sensor S4 (ºC) (this sensor is always located right outside of the room.)

 

Occupancy: Number of occupants in the classroom

metabolic: Average metabolic index of the students

Aula: Name of the classroom

Ventilation: Ventilation setup of the classroom (see publication)

Distribution: If the sensors are loated in the same position or apart from each other in the classroom (excluding S4)

Measure_ID: ID of the measurement

C1: Location of the sensor S11 (see aula.pdf)

C2: Location of the sensor S12 (see aula.pdf)

D: Location of the sensor S2 (see aula.pdf)

R: Location of the sensor S3 (see aula.pdf)
DOI: 10.5281/zenodo.14621677
title: Study of sensor positioning and ventilation strategies in classrooms

description: This dataset contains multi-sensor measurements collected from classrooms in schools and universities over several months. It includes data on humidity, carbon dioxide (CO₂), temperature, and particulate matter, among others. A key feature is the inclusion of occupancy data, indicating the number of students present during each measurement, and ventilation types, such as open or closed windows and doors. Additionally, the dataset documents the spatial positioning of sensors within the classrooms.

The dataset is intended to support studies on air dynamics in classrooms, providing insights into how ventilation conditions affect indoor air quality. It also aids in determining optimal sensor placement for accurate and representative monitoring. This comprehensive dataset serves as a valuable resource for researchers aiming to enhance air quality and ventilation strategies in educational settings.

Citation request: Please cite the following paper when using this dataset: Marín et al., The reliability of CO₂ measurements using low-cost sensors: a study of sensor positioning and ventilation strategies in classrooms, Indoor Air, 2025.
description: TairC1: Air temperature measured by the sensor S11 (ºC)

RHC1: Relative humidity measured by the sensor S11 (%)

DewPointC1: Dew point measured by the sensor S11 (ºC)

CO2C1: CO2 measured by the sensor S11 (ppm)

 

TairC2: Air temperature measured by the sensor S12 (ºC)

RHC2: Relative humidity measured by the sensor S12 (%)

DewPointC2: Dew point measured by the sensor S12 (ºC)

CO2C2: CO2 measured by the sensor S12 (ppm)

 

TairD: Air temperature measured by the sensor S2 (ºC)

TgD: Globe thermometer temperature measured by the sensor S2 (ºC)

PrD: Air pressure measured by the sensor S2 (Pa)

RHD: Relative humidity measured by the sensor S2 (%)

VaD: Air velocity measured by the sensor S2 (m/s)

VOCD: VOC measured by the sensor S2 (ug/m3)

CO2D: CO2 measured by the sensor S2 (ppm)

 

CO2R: CO2 measured by the sensor S3 (ppm)

RHR: Relative humidity measured by the sensor S3 (%)

PM01R: PM01 measured by the sensor S3 (ug/m3)

PM2.5R: PM2.5 measured by the sensor S3 (ug/m3)

PM10R: PM10 measured by the sensor S3 (ug/m3)

 

TairE: Air temperature measured by the sensor S4 (ºC) (this sensor is always located right outside of the room.)

 

Occupancy: Number of occupants in the classroom

metabolic: Average metabolic index of the students

Aula: Name of the classroom

Ventilation: Ventilation setup of the classroom (see publication)

Distribution: If the sensors are loated in the same position or apart from each other in the classroom (excluding S4)

Measure_ID: ID of the measurement

C1: Location of the sensor S11 (see aula.pdf)

C2: Location of the sensor S12 (see aula.pdf)

D: Location of the sensor S2 (see aula.pdf)

R: Location of the sensor S3 (see aula.pdf)
DOI: 10.15468/dl.a3wghj
title: Occurrence Download

description: A dataset containing 19 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Ajuga pyramidalis L.",
 "Geometry POLYGON((-4.57907617500001 39.884719509, -4.57907617500001 41.165844755, -3.05298331400002 41.165844755, -3.05298331400002 39.884719509, -4.57907617500001 39.884719509))"
 ]
}

 The dataset includes 19 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0001634-250218110819086/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.cujx6w
title: Occurrence Download

description: A dataset containing 4694962 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is The New York Botanical Garden Herbarium (NY)"
 ]
}

 The dataset includes 4694962 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0001631-250218110819086/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.