cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.14973455
title: Data for "Predicting high-intensity femtosecond x-ray exposure on protein crystals with simulated x-ray emission spectra"

description: Data for "Interpretable neural network predictions of high-intensity femtosecond x-ray free-electron laser pulses using sulfur K-shell emission spectra"

The data here is organized as follows. With dataset-1 we train a model to predict x-ray pulse fluence values. With dataset-4 we train a model to predict both fluence and pulse duration. The main directory has scripts for processing and augmenting the raw data in data_processing.npy. The models are trained using the scripts ds1_model_training.npy and ds4_model_training.npy. There are additional scripts and results for computing the interpretation scores based on gradients and shap ds1_interpretation_score.ipynb and ds4_interpretation_score.ipynb. The scripts for training a model on occluded data are in ds1_model_training_occlusion.ipynb. The decoupled training of fixed fluence and fixed pulse duration are in ds4_model_training_decouple.ipynb. Finally, ds4_hypertunner.ipynb shows how we ran the hyper tunner to select a good model architecture.
DOI: 10.5281/zenodo.14973456
title: Data for "Predicting high-intensity femtosecond x-ray exposure on protein crystals with simulated x-ray emission spectra"

description: Data for "Interpretable neural network predictions of high-intensity femtosecond x-ray free-electron laser pulses using sulfur K-shell emission spectra"

The data here is organized as follows. With dataset-1 we train a model to predict x-ray pulse fluence values. With dataset-4 we train a model to predict both fluence and pulse duration. The main directory has scripts for processing and augmenting the raw data in data_processing.npy. The models are trained using the scripts ds1_model_training.npy and ds4_model_training.npy. There are additional scripts and results for computing the interpretation scores based on gradients and shap ds1_interpretation_score.ipynb and ds4_interpretation_score.ipynb. The scripts for training a model on occluded data are in ds1_model_training_occlusion.ipynb. The decoupled training of fixed fluence and fixed pulse duration are in ds4_model_training_decouple.ipynb. Finally, ds4_hypertunner.ipynb shows how we ran the hyper tunner to select a good model architecture.
DOI: 10.6084/m9.figshare.29389088
title: A Controllable Photoresponsive Potassium Transporter

description: <b>Artificial photoresponsive transport systems are particularly intriguing because they offer the potential for precise spatio-temporal control, rapid response times and minimal toxicity associated with the light. We report here a controllable, photoresponsive, ion-transporting carrier, achieving controllability through a photoregulated</b><b> </b><b><i>β</i></b><b>-cyclodextrin (</b><b><i>β</i></b><b>-CD)-azobenzene host-guest complex. In this complex, a lipid-anchored</b><b> </b><b><i>β</i></b><b>-CD serves as the launch base, tightly immobilizing through host-guest interactions the otherwise freely moving trans-transporter derived from a crown ether-modified trans-azobenzene motif, but rapidly releasing most of it upon 365 nm UV irradiation that converts transporter to its cis-configuration. The launched cis-transporter functions well as a highly efficient potassium transporter, delivering a low EC</b><sub><strong>50</strong></sub><b> </b><b>value of 1.51 μM and a drastic transport activity enhancement by ~ 400% relative to the base-bound trans-transporter (EC</b><sub><strong>50</strong></sub><b> </b><b>= 7.46 μM), with on-off activities repeatedly regulated by light. In the absence of the base, the on-off activities between cis- and trans-transporters however differ by only 80% (1.35 μM vs 2.45 μM).</b>
DOI: 10.6084/m9.figshare.29389088.v1
title: A Controllable Photoresponsive Potassium Transporter

description: <b>Artificial photoresponsive transport systems are particularly intriguing because they offer the potential for precise spatio-temporal control, rapid response times and minimal toxicity associated with the light. We report here a controllable, photoresponsive, ion-transporting carrier, achieving controllability through a photoregulated</b><b> </b><b><i>β</i></b><b>-cyclodextrin (</b><b><i>β</i></b><b>-CD)-azobenzene host-guest complex. In this complex, a lipid-anchored</b><b> </b><b><i>β</i></b><b>-CD serves as the launch base, tightly immobilizing through host-guest interactions the otherwise freely moving trans-transporter derived from a crown ether-modified trans-azobenzene motif, but rapidly releasing most of it upon 365 nm UV irradiation that converts transporter to its cis-configuration. The launched cis-transporter functions well as a highly efficient potassium transporter, delivering a low EC</b><sub><strong>50</strong></sub><b> </b><b>value of 1.51 μM and a drastic transport activity enhancement by ~ 400% relative to the base-bound trans-transporter (EC</b><sub><strong>50</strong></sub><b> </b><b>= 7.46 μM), with on-off activities repeatedly regulated by light. In the absence of the base, the on-off activities between cis- and trans-transporters however differ by only 80% (1.35 μM vs 2.45 μM).</b>
DOI: 10.15468/dl.rukqs2
title: Occurrence Download

description: A dataset containing 74 records in GBIF matching the query:
SELECT
 kingdom,
 kingdomkey,
 phylum,
 phylumkey,
 class,
 classkey,
 "order",
 orderkey,
 family,
 familykey,
 genus,
 genuskey,
 species,
 specieskey,
 "year",
 IF(ISNULL(kingdomkey), NULL, SUM(COUNT(*)) OVER (
 PARTITION BY kingdomkey, "year")) kingdomcount,
 IF(ISNULL(phylumkey), NULL, SUM(COUNT(*)) OVER (
 PARTITION BY phylumkey, "year")) phylumcount,
 IF(ISNULL(classkey), NULL, SUM(COUNT(*)) OVER (
 PARTITION BY classkey, "year")) classcount,
 IF(ISNULL(orderkey), NULL, SUM(COUNT(*)) OVER (
 PARTITION BY orderkey, "year")) ordercount,
 IF(ISNULL(familykey), NULL, SUM(COUNT(*)) OVER (
 PARTITION BY familykey, "year")) familycount,
 IF(ISNULL(genuskey), NULL, SUM(COUNT(*)) OVER (
 PARTITION BY genuskey, "year")) genuscount,
 COUNT(*) occurrences,
 MIN(GBIF_TEMPORALUNCERTAINTY(eventdate, eventtime)) mintemporaluncertainty,
 MIN(COALESCE(coordinateuncertaintyinmeters, 1000)) mincoordinateuncertaintyinmeters
FROM
 occurrence
WHERE
 (occurrence.taxonkey = 5834096 OR occurrence.acceptedtaxonkey = 5834096 OR occurrence.kingdomkey = 5834096 OR occurrence.phylumkey = 5834096 OR occurrence.classkey = 5834096 OR occurrence.orderkey = 5834096 OR occurrence.familykey = 5834096 OR occurrence.genuskey = 5834096 OR occurrence.specieskey = 5834096)
 AND occurrence.hasgeospatialissues = FALSE
 AND NOT GBIF_STRINGARRAYCONTAINS(occurrence.issue, 'TAXON_MATCH_FUZZY', TRUE)
 AND (occurrence.distancefromcentroidinmeters &gt;= 2000.0 OR occurrence.distancefromcentroidinmeters IS NULL)
 AND NOT occurrence.basisofrecord IN ('FOSSIL_SPECIMEN', 'LIVING_SPECIMEN')
 AND occurrence.occurrencestatus = 'PRESENT'
 AND (occurrence.specieskey IS NOT NULL AND occurrence."year" IS NOT NULL)
GROUP BY
 occurrence.kingdom,
 occurrence.kingdomkey,
 occurrence.phylum,
 occurrence.phylumkey,
 occurrence.class,
 occurrence.classkey,
 occurrence."order",
 occurrence.orderkey,
 occurrence.family,
 occurrence.familykey,
 occurrence.genus,
 occurrence.genuskey,
 occurrence.species,
 occurrence.specieskey,
 occurrence."year"

 The dataset's 74 records were derived from 31 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0066704-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.15726720
title: Köln Overstolz-Apotheke (ca. 1924/1947)

description: Historical questionnaire/s 1924/1948 and index cards, partly selected enclosures regarding the history of a German pharmacy, catalogued via Kalliope portal (Historischer Fragebogen 1924/1948 und Karteikarten, ggf. gemeinfreie Anlagen zur Apothekengeschichte; als Katalog dient das Nachlassportal Kalliope): https://kalliope-verbund.info/DE-611-BF-70963 [Funktion: Im Findbuch anzeigen]Please note: The Kalliope catalogue entry might indicate related material in the archival folder which cannot be published due to copyright or other legal restrictions (NB: Das Katalogisat bei Kalliope kann auch auf Materialien - teils erheblichen Umfangs - verweisen, die aus archiv- oder urheberrechtlichen Gründen nicht veröffentlicht werden dürfen).
DOI: 10.5281/zenodo.15726721
title: Köln Overstolz-Apotheke (ca. 1924/1947)

description: Historical questionnaire/s 1924/1948 and index cards, partly selected enclosures regarding the history of a German pharmacy, catalogued via Kalliope portal (Historischer Fragebogen 1924/1948 und Karteikarten, ggf. gemeinfreie Anlagen zur Apothekengeschichte; als Katalog dient das Nachlassportal Kalliope): https://kalliope-verbund.info/DE-611-BF-70963 [Funktion: Im Findbuch anzeigen]Please note: The Kalliope catalogue entry might indicate related material in the archival folder which cannot be published due to copyright or other legal restrictions (NB: Das Katalogisat bei Kalliope kann auch auf Materialien - teils erheblichen Umfangs - verweisen, die aus archiv- oder urheberrechtlichen Gründen nicht veröffentlicht werden dürfen).
DOI: 10.6084/m9.figshare.29389127
title: Hybrid Feature Learning

description: The CGAN method enhances data diversity by generating synthetic training data, which helps the model generalise better and avoid overfitting. This step aids in improving the system's ability to summarise text from varied domains and ensures more robust training with limited available data.
DOI: 10.6084/m9.figshare.29389127.v2
title: Hybrid Feature Learning

description: The CGAN method enhances data diversity by generating synthetic training data, which helps the model generalise better and avoid overfitting. This step aids in improving the system's ability to summarise text from varied domains and ensures more robust training with limited available data.
DOI: 10.6084/m9.figshare.29389127.v1
title: <b>Data Augmentation and Hybrid Feature Learning</b>

description: The CGAN method enhances data diversity by generating synthetic training data, which helps the model generalise better and avoid overfitting. This step aids in improving the system's ability to summarise text from varied domains and ensures more robust training with limited available data.
DOI: 10.5281/zenodo.15726552
title: Environmental burden and health inequity in China's road-based express delivery

description: This repository contains both gridded emissions inventory data and analysis code used in Li et al. (2025) "Environmental burden and health inequity in China's road-based express delivery" published in Nature Cities.

EMISSIONS DATA

Gridded annual emissions inventory from China's express delivery transportation sector for 2021, developed using large-scale waybill data, geospatial modeling, and detailed calculations.

Contents: 7 GeoTIFF files representing annual emissions totals for different pollutants/GHG

Spatial Coverage and Resolution:



Geographic Coverage: Mainland China

Spatial Resolution: 5 arcminutes × 5 arcminutes

Coordinate System: WGS84 Geographic Coordinate System

Units: kg/grid cell/year


Temporal Coverage: Annual totals for 2021

ANALYSIS CODE

Route identification, emission calculations, and spatial allocation were performed using standard ArcGIS Network Analyst and Spatial Analysis tools (version 10.8). Custom scripts for emissions analysis and uncertainty quantification:

1. distance_grid_calculation.py

Purpose: Calculates gridded transportation distances by intersecting express delivery routes with a 5 arcminutes resolution spatial grid covering mainland China.

Key Functions:



Loads multiple route shapefiles and combines them

Projects data to UTM coordinate system (EPSG:32650) for accurate distance calculations

Calculates total weighted transportation distance within each grid cell (5 arcminutes resolution)

Exports results in both UTM and WGS84 projections


2. uncertainty_analysis.m

Purpose: Performs Monte Carlo uncertainty analysis for express delivery emission estimates using 10,000 iterations.

Key Functions:



Simulates uncertainty in parcel weights, vehicle capacities, and loading ratios

Propagates uncertainties through emission calculations

Calculates interquartile ranges (25th-75th percentiles) for emission estimates


CITATION

When using this dataset or code, please cite:

Li, B., Liao, H., Li, K., Lin, J., Gong, C., Liu, H., Li, Y., Chen, L., Yang, Y., Jin, X., Zhao, Y., Wang, T., Jin, J., Dang, R., & Jacob, D.J. (2025). Environmental burden and health inequity in China's road-based express delivery. Nature Cities.

CONTACT

For questions about the code or data, please contact Baojie Li (baojieli@nuist.edu.cn)
DOI: 10.5281/zenodo.15726553
title: Environmental burden and health inequity in China's road-based express delivery

description: This repository contains both gridded emissions inventory data and analysis code used in Li et al. (2025) "Environmental burden and health inequity in China's road-based express delivery" published in Nature Cities.

EMISSIONS DATA

Gridded annual emissions inventory from China's express delivery transportation sector for 2021, developed using large-scale waybill data, geospatial modeling, and detailed calculations.

Contents: 7 GeoTIFF files representing annual emissions totals for different pollutants/GHG

Spatial Coverage and Resolution:



Geographic Coverage: Mainland China

Spatial Resolution: 5 arcminutes × 5 arcminutes

Coordinate System: WGS84 Geographic Coordinate System

Units: kg/grid cell/year


Temporal Coverage: Annual totals for 2021

ANALYSIS CODE

Route identification, emission calculations, and spatial allocation were performed using standard ArcGIS Network Analyst and Spatial Analysis tools (version 10.8). Custom scripts for emissions analysis and uncertainty quantification:

1. distance_grid_calculation.py

Purpose: Calculates gridded transportation distances by intersecting express delivery routes with a 5 arcminutes resolution spatial grid covering mainland China.

Key Functions:



Loads multiple route shapefiles and combines them

Projects data to UTM coordinate system (EPSG:32650) for accurate distance calculations

Calculates total weighted transportation distance within each grid cell (5 arcminutes resolution)

Exports results in both UTM and WGS84 projections


2. uncertainty_analysis.m

Purpose: Performs Monte Carlo uncertainty analysis for express delivery emission estimates using 10,000 iterations.

Key Functions:



Simulates uncertainty in parcel weights, vehicle capacities, and loading ratios

Propagates uncertainties through emission calculations

Calculates interquartile ranges (25th-75th percentiles) for emission estimates


CITATION

When using this dataset or code, please cite:

Li, B., Liao, H., Li, K., Lin, J., Gong, C., Liu, H., Li, Y., Chen, L., Yang, Y., Jin, X., Zhao, Y., Wang, T., Jin, J., Dang, R., & Jacob, D.J. (2025). Environmental burden and health inequity in China's road-based express delivery. Nature Cities.

CONTACT

For questions about the code or data, please contact Baojie Li (baojieli@nuist.edu.cn)
DOI: 10.5281/zenodo.15726735
title: Köln Paulus-Apotheke (ca. 1924/1947)

description: Historical questionnaire/s 1924/1948 and index cards, partly selected enclosures regarding the history of a German pharmacy, catalogued via Kalliope portal (Historischer Fragebogen 1924/1948 und Karteikarten, ggf. gemeinfreie Anlagen zur Apothekengeschichte; als Katalog dient das Nachlassportal Kalliope): https://kalliope-verbund.info/DE-611-BF-70963 [Funktion: Im Findbuch anzeigen]Please note: The Kalliope catalogue entry might indicate related material in the archival folder which cannot be published due to copyright or other legal restrictions (NB: Das Katalogisat bei Kalliope kann auch auf Materialien - teils erheblichen Umfangs - verweisen, die aus archiv- oder urheberrechtlichen Gründen nicht veröffentlicht werden dürfen).
DOI: 10.5281/zenodo.15726736
title: Köln Paulus-Apotheke (ca. 1924/1947)

description: Historical questionnaire/s 1924/1948 and index cards, partly selected enclosures regarding the history of a German pharmacy, catalogued via Kalliope portal (Historischer Fragebogen 1924/1948 und Karteikarten, ggf. gemeinfreie Anlagen zur Apothekengeschichte; als Katalog dient das Nachlassportal Kalliope): https://kalliope-verbund.info/DE-611-BF-70963 [Funktion: Im Findbuch anzeigen]Please note: The Kalliope catalogue entry might indicate related material in the archival folder which cannot be published due to copyright or other legal restrictions (NB: Das Katalogisat bei Kalliope kann auch auf Materialien - teils erheblichen Umfangs - verweisen, die aus archiv- oder urheberrechtlichen Gründen nicht veröffentlicht werden dürfen).
DOI: 10.15468/dl.gjx77d
title: Occurrence Download

description: A dataset containing 171 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is China",
 "GadmGid is CHN.19_1",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Artemisia frigida Willd."
 ]
}

 The dataset includes 171 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0066708-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.6084/m9.figshare.29389124
title: Search strategy for PubMed, Scopus, and Web of Science

description: This is the search strategy used for searching literature from three databases - PubMed, Scopus, and Web of Science.
DOI: 10.6084/m9.figshare.29389124.v1
title: Search strategy for PubMed, Scopus, and Web of Science

description: This is the search strategy used for searching literature from three databases - PubMed, Scopus, and Web of Science.
DOI: 10.5281/zenodo.15726740
title: Köln Reh-Apotheke (ca. 1924/1947)

description: Historical questionnaire/s 1924/1948 and index cards, partly selected enclosures regarding the history of a German pharmacy, catalogued via Kalliope portal (Historischer Fragebogen 1924/1948 und Karteikarten, ggf. gemeinfreie Anlagen zur Apothekengeschichte; als Katalog dient das Nachlassportal Kalliope): https://kalliope-verbund.info/DE-611-BF-70963 [Funktion: Im Findbuch anzeigen]Please note: The Kalliope catalogue entry might indicate related material in the archival folder which cannot be published due to copyright or other legal restrictions (NB: Das Katalogisat bei Kalliope kann auch auf Materialien - teils erheblichen Umfangs - verweisen, die aus archiv- oder urheberrechtlichen Gründen nicht veröffentlicht werden dürfen).
DOI: 10.5281/zenodo.15726741
title: Köln Reh-Apotheke (ca. 1924/1947)

description: Historical questionnaire/s 1924/1948 and index cards, partly selected enclosures regarding the history of a German pharmacy, catalogued via Kalliope portal (Historischer Fragebogen 1924/1948 und Karteikarten, ggf. gemeinfreie Anlagen zur Apothekengeschichte; als Katalog dient das Nachlassportal Kalliope): https://kalliope-verbund.info/DE-611-BF-70963 [Funktion: Im Findbuch anzeigen]Please note: The Kalliope catalogue entry might indicate related material in the archival folder which cannot be published due to copyright or other legal restrictions (NB: Das Katalogisat bei Kalliope kann auch auf Materialien - teils erheblichen Umfangs - verweisen, die aus archiv- oder urheberrechtlichen Gründen nicht veröffentlicht werden dürfen).
DOI: 10.34740/kaggle/dsv/12264412
title: Peer-to-Peer Boliviano (BOB) Exchange Data
DOI: 10.5281/zenodo.15722863
title: Dataset for: Evaluating treatment success in CGRP antibody prophylaxis: A retrospective cohort study comparing monthly migraine days, MIDAS scores, and HIT-6 scores

description: This dataset contains anonymized individual-level data from a retrospective cohort study evaluating the effectiveness of CGRP monoclonal antibodies in the preventive treatment of episodic and chronic migraine. The data include demographic variables, diagnosis subtype, baseline and follow-up values for monthly migraine days (MMDs), MIDAS scores, and HIT-6 scores. All patients were treated at the Kiel Migraine and Headache Center between January 2020 and June 2023. The dataset supports the findings reported in the associated publication.

Data were collected according to standardized institutional protocols and approved by the Ethics Committee of Kiel University (D404/23). Patients provided written informed consent for scientific use of clinical data.

The dataset enables replication of responder rate calculations based on current guideline thresholds (≥50% MMD reduction for episodic migraine, ≥30% for chronic migraine, ≥30% MIDAS reduction, ≥5-point HIT-6 improvement) and supports further secondary analyses of treatment outcomes.
DOI: 10.5281/zenodo.15722864
title: Dataset for: Evaluating treatment success in CGRP antibody prophylaxis: A retrospective cohort study comparing monthly migraine days, MIDAS scores, and HIT-6 scores

description: This dataset contains anonymized individual-level data from a retrospective cohort study evaluating the effectiveness of CGRP monoclonal antibodies in the preventive treatment of episodic and chronic migraine. The data include demographic variables, diagnosis subtype, baseline and follow-up values for monthly migraine days (MMDs), MIDAS scores, and HIT-6 scores. All patients were treated at the Kiel Migraine and Headache Center between January 2020 and June 2023. The dataset supports the findings reported in the associated publication.

Data were collected according to standardized institutional protocols and approved by the Ethics Committee of Kiel University (D404/23). Patients provided written informed consent for scientific use of clinical data.

The dataset enables replication of responder rate calculations based on current guideline thresholds (≥50% MMD reduction for episodic migraine, ≥30% for chronic migraine, ≥30% MIDAS reduction, ≥5-point HIT-6 improvement) and supports further secondary analyses of treatment outcomes.
DOI: 10.5281/zenodo.15726750
title: Köln Reichsadler-Apotheke (ca. 1924/1947)

description: Historical questionnaire/s 1924/1948 and index cards, partly selected enclosures regarding the history of a German pharmacy, catalogued via Kalliope portal (Historischer Fragebogen 1924/1948 und Karteikarten, ggf. gemeinfreie Anlagen zur Apothekengeschichte; als Katalog dient das Nachlassportal Kalliope): https://kalliope-verbund.info/DE-611-BF-70963 [Funktion: Im Findbuch anzeigen]Please note: The Kalliope catalogue entry might indicate related material in the archival folder which cannot be published due to copyright or other legal restrictions (NB: Das Katalogisat bei Kalliope kann auch auf Materialien - teils erheblichen Umfangs - verweisen, die aus archiv- oder urheberrechtlichen Gründen nicht veröffentlicht werden dürfen).
DOI: 10.5281/zenodo.15726751
title: Köln Reichsadler-Apotheke (ca. 1924/1947)

description: Historical questionnaire/s 1924/1948 and index cards, partly selected enclosures regarding the history of a German pharmacy, catalogued via Kalliope portal (Historischer Fragebogen 1924/1948 und Karteikarten, ggf. gemeinfreie Anlagen zur Apothekengeschichte; als Katalog dient das Nachlassportal Kalliope): https://kalliope-verbund.info/DE-611-BF-70963 [Funktion: Im Findbuch anzeigen]Please note: The Kalliope catalogue entry might indicate related material in the archival folder which cannot be published due to copyright or other legal restrictions (NB: Das Katalogisat bei Kalliope kann auch auf Materialien - teils erheblichen Umfangs - verweisen, die aus archiv- oder urheberrechtlichen Gründen nicht veröffentlicht werden dürfen).
DOI: 10.21421/d2/as65tv/p9xj11
title: DataSet2_Final.tab

description: :unav
DOI: 10.21421/d2/as65tv/fycn1m
title: DataSet4_Final.tab

description: :unav
DOI: 10.21421/d2/as65tv/uipx3y
title: Dataset5_Final.pdf

description: :unav
DOI: 10.21421/d2/as65tv/dpkhtu
title: Dataset6_Final.pdf

description: :unav
DOI: 10.21421/d2/as65tv/jycyo0
title: DataSet3_Final.tab

description: :unav
DOI: 10.21421/d2/as65tv/srftgr
title: DataSet1_Final_R1.xlsx

description: :unav