cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc1zjdlh
title: CCDC 1833017: Experimental Crystal Structure Determination

description: Related Article: Lara E. Lemmerz,  Ross McLellan,  Neil R. Judge,  Alan R. Kennedy,  Samantha A. Orr,  Marina Uzelac,  Eva Hevia,  Stuart D. Robertson,  Jun Okuda,  Robert E. Mulvey|2018|Chem.-Eur.J.|24|9940|doi:10.1002/chem.201801541
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/ccdc.csd.cc1zjdmj
title: CCDC 1833018: Experimental Crystal Structure Determination

description: Related Article: Lara E. Lemmerz,  Ross McLellan,  Neil R. Judge,  Alan R. Kennedy,  Samantha A. Orr,  Marina Uzelac,  Eva Hevia,  Stuart D. Robertson,  Jun Okuda,  Robert E. Mulvey|2018|Chem.-Eur.J.|24|9940|doi:10.1002/chem.201801541
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/ccdc.csd.cc1zkg44
title: CCDC 1834026: Experimental Crystal Structure Determination

description: Related Article: Kesar Tandekar,  Somenath Garai,  Sabbani Supriya|2018|Chem.-Eur.J.|24|9747|doi:10.1002/chem.201801126
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/ccdc.csd.cc1zmp7j
title: CCDC 1836168: Experimental Crystal Structure Determination

description: Related Article: Jin Tu Danence Lee, Yu Zhao|2018|Chem.-Eur.J.|24|9520|doi:10.1002/chem.201802273
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/ccdc.csd.cc1zmp8k
title: CCDC 1836169: Experimental Crystal Structure Determination

description: Related Article: Jin Tu Danence Lee, Yu Zhao|2018|Chem.-Eur.J.|24|9520|doi:10.1002/chem.201802273
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: 10.18169/papdeottx02745
title: Hybrid System: MRI-PET with Integrated Radiation Therapy Device
DOI: 10.18169/papdeottx02746
title: Befestigung eines Getriebemotors oder Motors mit zwei Moeglichkeiten: Ueber einen Gewindelochkreis oder ueber einen Flansch
DOI: 10.18169/papdeottx02747
title: Ressourcen unabhaengige Windows-Controls fuer die Runtime von HMI-Geraeten in der Automatisierungstechnik
DOI: 10.18169/papdeottx02748
title: Catch Me - Telephone Directory Server for Mobile Subscribers
DOI: 10.18169/papdeottx02749
title: Abradable blade tip
DOI: 10.18169/papdeottx02750
title: Aufbau einer Schaelschaltung zur Glaettung einer welligen Gleichspannung
DOI: 10.18169/papdeottx02751
title: Steuerung der Hoehe des Ausgangsstromes einer Stromversorgung in Parallelschaltung in Abhaengigkeit der Temperatur
DOI: 10.18169/papdeottx02752
title: Magnetgelagerte Dampfturbine
DOI: 10.18169/papdeottx02753
title: Verfahren fuer die automatische Regelung von elektronischen Sonnenblenden mittels Gesichtserkennungsalgorithmen
DOI: 10.18169/papdeottx02754
title: Sensitives Lenkrad
DOI: 10.18169/papdeottx02755
title: Oertliche Identifikation bei Notrufen von IP-Geraeten in abgeschlossenen Netzwerken hinter Firewalls und NAT-Devices
DOI: 10.18169/papdeottx02756
title: Neuronales Sensor-Aktor-Netz
DOI: 10.18169/papdeottx02757
title: Interaktiver Telekonferenz-Service
DOI: 10.18169/papdeottx02758
title: Verfahren zur Reservierung von Konferenz Ressourcen eines IP Media Servers
DOI: 10.18169/papdeottx02759
title: Automatisiertes Billing-Portal fuer Hot-Spots
DOI: 10.18169/papdeottx02760
title: Sounddesign fuer MR Anlagen
DOI: 10.18169/papdeottx02761
title: Verfahren fuer die individuell gerichtete Beschallung von Personen mittels Gesichtslokalisation
DOI: 10.5281/zenodo.1294966
title: Data For A Dairy Farm Microgrid Solution

description: <strong>Load data </strong>(Farm_load_kW_data.txt)

A pre-determined hourly data series of electricity consumption (one year). The consumption was considered independent from the microgrid operating state – network connected or islanded operation. Load was not controlled in order to obtain longer islanded operation capability, nor to minimize power exchange with the network in normal state. The dairy farm case was with about 180 cows and corresponding electricity consumption of approximately 261 MWh/a. The farm data series was created based on data from similar size farms. Daily consumption profile was based on diurnal consumption data of a large cowhouse in a winter day, and the variation from day to day throughout the year was approximated by creating sliding data series based on monthly electricity consumption. The dataset was then suitably scaled for the specified annual consumption.

<strong>PV generation data </strong>(PV_pu_data.txt)

An hourly PV production data series for one year was created for a specific location (in Finland) based on MERRA-2 time series data on radiation [1] and air temperature [2]. The daily average radiation and temperature were scaled to match monthly values from PVGIS database [3,4]. PV panel generation (in per units) was calculated considering location and temperature, and selected panel tilt given by PVGIS ‘optimal inclination angle’. The PV generation data series was then scaled appropriately for the selected PV capacity in the case study.

 

<strong>References</strong>


	Global Modeling and Assimilation Office (GMAO) (2015), MERRA-2 tavg1_2d_rad_Nx: 2d,1-Hourly, Time-Averaged, Single-Level, Assimilation, Radiation Diagnostics V5.12.4, Greenbelt, MD, USA, Goddard Earth Sciences Data and Information Services Center (GES DISC).
	Global Modeling and Assimilation Office (GMAO) (2015), MERRA-2 tavg1_2d_flx_Nx: 2d,1-Hourly, Time- Averaged, Single-Level, Assimilation, Surface Flux Diagnostics V5.12.4, Greenbelt, MD, USA, Goddard Earth Sciences Data and Information Services Center (GES DISC).
	Huld, T., Müller, R. & Gambardella, A. A new solar radition database for estimating PV performance in Europe and Africa. Sol. Energy 86, 1803–1815 (2012).
	European Communities (2012), PVGIS interactive application. Available: http://re.jrc.ec.europa.eu/pvgis/apps4/pvest.php#.
DOI: 10.5281/zenodo.1294967
title: Data For A Dairy Farm Microgrid Solution

description: <strong>Load data </strong>(Farm_load_kW_data.txt)

A pre-determined hourly data series of electricity consumption (one year). The consumption was considered independent from the microgrid operating state – network connected or islanded operation. Load was not controlled in order to obtain longer islanded operation capability, nor to minimize power exchange with the network in normal state. The dairy farm case was with about 180 cows and corresponding electricity consumption of approximately 261 MWh/a. The farm data series was created based on data from similar size farms. Daily consumption profile was based on diurnal consumption data of a large cowhouse in a winter day, and the variation from day to day throughout the year was approximated by creating sliding data series based on monthly electricity consumption. The dataset was then suitably scaled for the specified annual consumption.

<strong>PV generation data </strong>(PV_pu_data.txt)

An hourly PV production data series for one year was created for a specific location (in Finland) based on MERRA-2 time series data on radiation [1] and air temperature [2]. The daily average radiation and temperature were scaled to match monthly values from PVGIS database [3,4]. PV panel generation (in per units) was calculated considering location and temperature, and selected panel tilt given by PVGIS ‘optimal inclination angle’. The PV generation data series was then scaled appropriately for the selected PV capacity in the case study.

 

<strong>References</strong>


	Global Modeling and Assimilation Office (GMAO) (2015), MERRA-2 tavg1_2d_rad_Nx: 2d,1-Hourly, Time-Averaged, Single-Level, Assimilation, Radiation Diagnostics V5.12.4, Greenbelt, MD, USA, Goddard Earth Sciences Data and Information Services Center (GES DISC).
	Global Modeling and Assimilation Office (GMAO) (2015), MERRA-2 tavg1_2d_flx_Nx: 2d,1-Hourly, Time- Averaged, Single-Level, Assimilation, Surface Flux Diagnostics V5.12.4, Greenbelt, MD, USA, Goddard Earth Sciences Data and Information Services Center (GES DISC).
	Huld, T., Müller, R. & Gambardella, A. A new solar radition database for estimating PV performance in Europe and Africa. Sol. Energy 86, 1803–1815 (2012).
	European Communities (2012), PVGIS interactive application. Available: http://re.jrc.ec.europa.eu/pvgis/apps4/pvest.php#.
DOI: 10.18169/papdeottx02762
title: Netzwerkfreigabe nur eines bestimmten ansteckbaren Geraetes
DOI: 10.18169/papdeottx02763
title: Optimierter Localizer bei kleinen Spulen und FOVs
DOI: 10.18169/papdeottx02764
title: Variable Zeit fuer den Beginn des Laeutenzeichens bei Anrufer
DOI: 10.18169/papdeottx02765
title: Easy and Secure Access to Confidential Healthcare Data from Telematics Infrastructure
DOI: 10.18169/papdeottx02766
title: Neuartige integrierte Infusionsflaschenhalter fuer MR-Untersuchungen
DOI: 10.18169/papdeottx02767
title: Trusted Interactive Workflow with Distributed Control and Evidence of Event Chain
DOI: 10.18169/papdeottx02768
title: Verbesserung des Startverhaltens von Penningen durch variable Zuendspannung
DOI: 10.18169/papdeottx02769
title: Gas Turbine Power Generation Perspective - Cycle and Technology Analysis
DOI: 10.18169/papdeottx02770
title: Codespur mit erhoehter Aufloesung bei optischen Absolutwertgebern durch Mehrbereichsinkrement
DOI: 10.18169/papdeottx02771
title: Teilnehmeridentifizierung im Internet unter Verwendung von �Geolocation Services�
DOI: 10.18169/papdeottx02772
title: Verbesserung der Detektordosispraezision beim Einzelschuss bei einem bildgebenden Roentgensystem, das ohne ein Dosismessgeraet am Detektoreingang ausgestattet ist
DOI: 10.18169/papdeottx02773
title: Verfahren zur Ermittlung und Korrektur von Fehlern bei der Weg- und Winkelmessung
DOI: 10.18169/papdeottx02774
title: Manuelle und ansteuerbare drehbare Lueftungsduesen fuer die Patientenluft
DOI: 10.18169/papdeottx02775
title: Konzept zum Betreiben der Dampfturbinen in GuD-Kraftwerken ohne HD und MD bei extremer Teillast
DOI: 10.18169/papdeottx02776
title: Application of minimum pilot fuel in response to large step load changes
DOI: 10.18169/papdeottx02777
title: Honeycomb seals spaced by smooth surfaces
DOI: 10.18169/papdeottx02778
title: Vakuumschaltkammer mit mechanisch fest angebundenem Schirm mit Potenzial der beweglichen Kontaktseite
DOI: 10.18169/papdeottx02779
title: System und Verfahren zur Ueberwachung von Schweissprozessen
DOI: 10.5281/zenodo.1293284
title: Benchmarking Tree And Ancestral Sequence Inference For B Cell Receptor Sequences

description: Simulation data used and described in associated article.
DOI: 10.6073/pasta/0b7b74b7f8be2f7202e09aa48001f01e
title: Change in marsh surface elevation measured with a Surface Elevation Table (SET) at control plots in a Spartina alterniflora-dominated salt marsh at Law's Point, Rowley River, Plum Island Ecosystem LTER, MA.

description: A Surface Elevation Table (SET) is used to measure changes in the elevation of the marsh platform at a Spartina alterniflora-dominated marsh on the Rowley River in the Plum Island Ecosystem (PIE) LTER site, MA.
DOI: 10.6073/pasta/6a7cf33320c65c5673d42728c6d01eb0
title: Weather data from the Tessentee Bottomland Preserve, Otto, North Carolina

description: This data set contains measurements of air temperature, relative humidity, wind speed, wind direction, PAR density, and rainfall from a site located within the Tessentee Bottomland Preserve, Otto, North Carolina. Air temperature, relative humidity, wind speed, and PAR density are measured every 60 seconds with average, minimum, maximum, and discrete top of the hour values saved to the output data table hourly. Wind direction is measured every 60 seconds with the average value saved to the output data table every hour. Hourly rainfall is totalized and a continuous 24 hour rainfall value is calculated. Calculations for dew point, heat index, wind chill, and wind vector are calculated hourly and saved to the output data table.
DOI: 10.6073/pasta/8f9188936b08ef7cbe84ce3077487d6a
title: Dissolved inorganic nutrients from NES-LTER cruises, including 4 macro-nutrients from water column bottle samples, ongoing since 2006

description: Dissolved inorganic nutrients are measured from water column bottle samples taken on NES-LTER cruises (ongoing since 2006) and include nitrate + nitrite, ammonium, silicate, and phosphate. For years 2006 - 2017 prior to the start of the NES-LTER project, sampling was usually in the vicinity of the Martha's Vineyard Coastal Observatory (MVCO). Sampling frequency near MVCO is approximately monthly. Samples were filtered, frozen, then processed at the Woods Hole Oceanographic Institution's Nutrient Analytical Facility. Each sample may have up to 3 replicates, indicated by a, b, and c in the column headers of the data table. These macro-nutrients are analyzed in seawater using a colorimetric assay in which light absorbance is measured versus known standards, and final concentrations are calculated (in µmol/L).
DOI: 10.6073/pasta/dcb7ded0b12958c259255cd7ac4789b7
title: Porewater nutrient concentrations from control plots in a Spartina alterniflora-dominated salt marsh at Goat Island, North Inlet, Georgetown, SC.

description: Porewater samples from a Spartina alterniflora-dominated salt marsh on Goat Island, North Inlet, Georgetown, SC were analyzed for ammonium, phosphate, sulfide and chloride concentrations.
DOI: 10.17632/76syvcmmfv.1
title: Bipolar switching by HCN voltage sensor underlies hyperpolarization activation
DOI: 10.17632/9ykm4g4gp4.1
title: An Adipose Tissue Atlas: An Image-Guided Identification of Human Like BAT and Beige Depots in Rodents

description: This dataset contains DICOM files of PET/CT and SPECT/CT scans obtained from Siemens Inveon MM PET/CT and Bioscan NanoSPECT/CT Plus, respectively. When Unzipped, the PET folder is approximately 16GB of data and the SPECT folder is 0.5GB of data.
DOI: 10.18169/papdeottx02780
title: Improved Method of Determining a Mobile Station Position Based on Location Fingerprint Data
DOI: 10.18169/papdeottx02781
title: Roentgensystem mit automatischer Detektion von Bewegungsartefakten im Bild
DOI: 10.18169/papdeottx02782
title: Gesteuertes Mikrofonarray fuer MR-Systeme
DOI: 10.18169/papdeottx02783
title: Steuerungsbasiertes Verfahren zur Unwuchterkennung von Maschinenkomponenten
DOI: 10.18169/papdeottx02784
title: Objektorientierte Parametrierung einer Werkzeugverwaltung
DOI: 10.18169/papdeottx02785
title: Definition von Bearbeitungsschritten mit automatischer Vergabe von Synchronisationseigenschaften
DOI: 10.18169/papdeottx02786
title: Steuerungsbasiertes Verfahren zur Erkennung von mangelhaften Schirmungen
DOI: 10.18169/papdeottx02787
title: Antriebsbasiertes Verfahren zur Auswertung der Netzqualitaet
DOI: 10.5281/zenodo.1295642
title: A Brief Online Transdiagnostic Measure: Psychometric Properties Of The Overall Anxiety Severity And Impairment Scale (Oasis) Among Spanish Patients With Emotional Disorders

description: This dataset contains demographic and clinical data about 583 patients with anxiety and depressive disorders that participated in a study whose objective is to examine the psychometric properties of the online version of the Overall Anxiety Severity and Impairment Scale in Spanish clinical population.
DOI: 10.5517/ccdc.csd.cc1yykwb
title: CCDC 1815883: Experimental Crystal Structure Determination

description: Related Article: Daniël L. J. Broere,  Brandon Q. Mercado,   James T. Lukens,   Avery C. Vilbert,   Gourab Banerjee,  Hannah M. C. Lant,   Shin Hee Lee,  Eckhard Bill,  Stephen Sproules,  Kyle M. Lancaster,  Patrick L. Holland|2018|Chem.-Eur.J.|24|9417|doi:10.1002/chem.201801298
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/ccdc.csd.cc1zlskx
title: CCDC 1835310: Experimental Crystal Structure Determination

description: Related Article: Sheng-Yi Yan, Ye-Qiang Han, Qi-Jun Yao, Xing-Liang Nie, Lei Liu, Bing-Feng Shi|2018|Angew.Chem.,Int.Ed.|57|9093|doi:10.1002/anie.201804197
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/ccdc.csd.cc1zm0l6
title: CCDC 1835528: Experimental Crystal Structure Determination

description: Related Article: Zhong Zheng, Qihai Tao, Yujuan Ao, Murong Xu, Yanzhong Li|2018|Org.Lett.|20|3907|doi:10.1021/acs.orglett.8b01492
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/ccdc.csd.cc1zmjkp
title: CCDC 1836023: Experimental Crystal Structure Determination

description: Related Article: Yue Ren, Ling-Guo Meng, Tao Peng,  Lijuan Zhu, Lei Wang|2018|Adv.Synth.Catal.|360|3176|doi:10.1002/adsc.201800552
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: 10.6073/pasta/56b55856415e80dd0f7e30ba18892b02
title: Weather measurements above the Cullasaja River, Highlands, NC

description: This data set contains measurements of air temperature, relative humidity, wind speed, wind   
direction, solar radiation, and rainfall from a site located above the Cullasaja River near   
Highlands, North Carolina. Air temperature, relative humidity, wind speed, and solar radiation
are measured every 60 seconds with average, minimum, maximum, and discrete top of the hour    
values saved to the output data hourly. Wind direction is measured every 60 seconds with the  
average value saved to the output data table every hour. Hourly rainfall is totalized and a   
continuous 24 hour rainfall value is calculated. Evapotranspiration is also calculated.
DOI: 10.18169/papdeottx02788
title: Antriebsbasiertes Verfahren zur Auswertung von Traegheitsmomenten
DOI: 10.18169/papdeottx02789
title: Verfahren zur Kennzeichnung von Masssystem unabhaengigen Projektierungsdaten
DOI: 10.18169/papdeottx02790
title: Cavity loop cooling for turbochargers
DOI: 10.18169/papdeottx02791
title: Verfahren zur Aufnahme von dreidimensionalen Magnetresonanzbildern mit Kontrast-Praeparation
DOI: 10.18169/papdeottx02792
title: Kontrolle von Abfuellvorgaengen auf Basis passiver Informationstraeger
DOI: 10.18169/papdeottx02793
title: Hybrid SPECT-CT (with several x-ray sources)
DOI: 10.18169/papdeottx02794
title: Herstellverfahren ebener keramischer Verbund-Schaltungstraeger
DOI: 10.18169/papdeottx02795
title: Solicited Computational Puzzles fuer SPAM-Abwehr, Verhinderung von DOS-Angriffen und als Teil eines Zugangsmechanismus zu Peer-to-Peer Netzwerken
DOI: 10.5281/zenodo.1295641
title: A Brief Online Transdiagnostic Measure: Psychometric Properties Of The Overall Anxiety Severity And Impairment Scale (Oasis) Among Spanish Patients With Emotional Disorders

description: This dataset contains demographic and clinical data about 583 patients with anxiety and depressive disorders that participated in a study whose objective is to examine the psychometric properties of the online version of the Overall Anxiety Severity and Impairment Scale in Spanish clinical population.
DOI: 10.5517/ccdc.csd.cc1zcvry
title: CCDC 1828651: Experimental Crystal Structure Determination

description: Related Article: Antony P. Y. Chan, Georgina M. Rosair, Alan J. Welch|2018|Inorg.Chem.|57|8002|doi:10.1021/acs.inorgchem.8b01166
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/ccdc.csd.cc1znmt2
title: CCDC 1837085: Experimental Crystal Structure Determination

description: Related Article: James R. Dobscha, Sibali Debnath, Rachel E. Fadler, Elisabeth M. Fatila, Maren Pink, Krishnan Raghavachari, Amar H. Flood|2018|Chem.-Eur.J.|24|9841|doi:10.1002/chem.201800827
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: 10.18169/papdeottx02796
title: Reduction of �Right to speak request and response delay� in PoC
DOI: 10.18169/papdeottx02797
title: Selektive Sichtbarkeit von Nachrichteninhalten durch kryptographische Sicherung
DOI: 10.18169/papdeottx02798
title: New Approach Towards the Process of Retrieving and Keeping Up-To-Date Network Configuration Data
DOI: 10.18169/papdeottx02799
title: Playback-Mechanismus fuer Handy-TV
DOI: 10.18169/papdeottx02800
title: Wendeverpackung (drehbare Laeuferkiste)
DOI: 10.18169/papdeottx02801
title: Kuehlschlauchlose Kuehlung fuer Gradientenspulen und Endorobotermagnete
DOI: 10.18169/papdeottx02802
title: Mechanism for Selecting and Displaying eHealth Offers
DOI: 10.18169/papdeottx02803
title: Telefon-Werbe-Blocker
DOI: 10.5517/ccdc.csd.cc1zqbrs
title: CCDC 1838726: Experimental Crystal Structure Determination

description: Related Article: Dongari Yadagiri, Manthena Chaitanya, Angula Chandra Shekar Reddy, Pazhamalai Anbarasan|2018|Org.Lett.|20|3762|doi:10.1021/acs.orglett.8b01338
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.