cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7910/dvn/gwcm0t
title: Washington State All Payer Claims Database (WA-APCD)

description: The Washington State All Payer Claims Database (WA-APCD) makes health care claims data available to the public for reporting, analytics, and health care decisions in response to state legislation requirements. The data help identify best practices and good value to assist patients, providers, and hospitals make informed choices, while encouraging competition in cost and quality of care. The WA-APCD provides information on costs of over 100 procedures and treatments, quality ratings for providers and facilities, and information on how to request customized data sets and reports. Data are provided for a fee, based on user specifications.
description: <b>Intended Use</b>This resource supports transparent public reporting of health care cost and quality and can be used to monitor payment and delivery reform initiatives, promote population health effectors, examine patient outcomes, and inform on health care quality and costs.<br>
DOI: 10.6084/m9.figshare.31031905
title: Actual soil loss estimation dataset (ASLED)

description: Actual soil loss estimation dataset (ASLED) is used to estimate actual soil loss by explainable spatiotemporal modelling analysis (XSTMA). The ASLED was obtained from the West Lake Basin Soil and Water Conservation Monitoring Station in Caidian District,Wuhan City, Hubei Province, China. And the data had undergone pre-processing and statistical analysis. Specifically, the ID represents the coding for each runoff area within the monitoring station; <i>X</i> and<i> </i><i>Y</i><i> </i>are spatial coordinates; <i>R</i> is the rainfall erosion force factor; <i>K</i> is the soil erodibility factor;<i> </i><i>L</i> is the slope length factor; <i>S</i> is the slope gradient factor; <i>B</i> is the vegetation cover factor; <i>E</i> is the engineering measure factor; <i>T</i> is the tillage measure factor; <i>LOSS</i> is the actual value of soil erosion; <i>SUM_LOSS</i> is the cumulative actual value of soil erosion; <i>A</i> is the monthly soil erosion modulus;<i> </i><i>SUM_A</i> is the cumulative monthly soil erosion modulus.
DOI: 10.6084/m9.figshare.31031905.v1
title: Actual soil loss estimation dataset (ASLED)

description: Actual soil loss estimation dataset (ASLED) is used to estimate actual soil loss by explainable spatiotemporal modelling analysis (XSTMA). The ASLED was obtained from the West Lake Basin Soil and Water Conservation Monitoring Station in Caidian District,Wuhan City, Hubei Province, China. And the data had undergone pre-processing and statistical analysis. Specifically, the ID represents the coding for each runoff area within the monitoring station; <i>X</i> and<i> </i><i>Y</i><i> </i>are spatial coordinates; <i>R</i> is the rainfall erosion force factor; <i>K</i> is the soil erodibility factor;<i> </i><i>L</i> is the slope length factor; <i>S</i> is the slope gradient factor; <i>B</i> is the vegetation cover factor; <i>E</i> is the engineering measure factor; <i>T</i> is the tillage measure factor; <i>LOSS</i> is the actual value of soil erosion; <i>SUM_LOSS</i> is the cumulative actual value of soil erosion; <i>A</i> is the monthly soil erosion modulus;<i> </i><i>SUM_A</i> is the cumulative monthly soil erosion modulus.
DOI: 10.15468/dl.9b3ugx
title: Occurrence Download

description: A dataset containing 1 species occurrences available in GBIF matching the query:
{"type":"and","predicates":[{"type":"within","geometry":"POLYGON ((71.891848 24.401915, 71.81474 24.396338, 71.73955100000001 24.379746, 71.668149 24.352551, 71.602307 24.31543, 71.543654 24.269304, 71.493639 24.215318, 71.453489 24.154811, 71.424183 24.08928, 71.406429 24.020344, 71.40064599999999 23.949706, 71.40695700000001 23.879106, 71.42518800000001 23.810281, 71.45487199999999 23.74492, 71.495265 23.684628, 71.54536400000001 23.630881, 71.603933 23.584994, 71.669532 23.548088, 71.740556 23.521064, 71.815268 23.504581, 71.891848 23.499042, 71.968428 23.504581, 72.04313999999999 23.521064, 72.114164 23.548088, 72.17976299999999 23.584994, 72.238332 23.630881, 72.288431 23.684628, 72.328824 23.74492, 72.358508 23.810281, 72.376739 23.879106, 72.38305 23.949706, 72.377267 24.020344, 72.35951300000001 24.08928, 72.330207 24.154811, 72.290057 24.215318, 72.240042 24.269304, 72.181389 24.31543, 72.11554700000001 24.352551, 72.044145 24.379746, 71.96895600000001 24.396338, 71.891848 24.401915))"},{"type":"equals","key":"CLASS_KEY","value":"212","matchCase":false},{"type":"greaterThanOrEquals","key":"YEAR","value":"2015","matchCase":false},{"type":"not","predicate":{"type":"in","key":"BASIS_OF_RECORD","values":["MATERIAL_CITATION","MATERIAL_SAMPLE","PRESERVED_SPECIMEN"],"matchCase":false}},{"type":"lessThanOrEquals","key":"COORDINATE_UNCERTAINTY_IN_METERS","value":"10000","matchCase":false},{"type":"equals","key":"LICENSE","value":"CC BY 4.0","matchCase":false}]}

 The dataset includes 1 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0082200-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.8bznsc
title: Occurrence Download

description: A dataset containing 502331 species occurrences available in GBIF matching the query:
{
 "and" : [
 "DatasetKey is iNaturalist Research-grade Observations",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Country is one of (Canada, Mexico, United States of America)",
 "EventDate is greater than or equal to 2025-11-13",
 "EventDate is less than or equal to 2025-12-13",
 {
 "not" : {
 "Issue" : [
 "is one of (Basis of record invalid, Coordinate reprojection failed, Coordinate reprojection suspicious, Coordinate precision invalid, Coordinate uncertainty meters invalid, Country mismatch, Country invalid, Geodetic datum invalid, Presumed swapped coordinate, Presumed negated longitude, Presumed negated latitude, Country coordinate mismatch)"
 ]
 }
 },
 "OccurrenceStatus is Present"
 ]
}

 The dataset includes 502331 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0082190-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.18189471
title: MILLIY XO'JALIKNING IJTIMOIY-IQTISODIY TIZIMINI TRANSFORMATSIYALASHNING NAZARIY ASOSLARI (INNOVATSION OMILLAR VA ULARNING TIZIM TRANSFORMATSIYASIDAGI O'RNI)

description: Mazkur maqolada milliy xo‘jalikning ijtimoiy-iqtisodiy tizimini transformatsiyalash jarayonining nazariy asoslari yoritilgan. Milliy xo‘jalik tushunchasining mazmuni, uning ijtimoiy va iqtisodiy komponentlari hamda ularning o‘zaro bog‘liqligi tahlil qilingan. Transformatsion jarayonlarga turli iqtisodiy nazariyalar, xususan, institutsional, innovatsion va tizimli yondashuvlar asosida ilmiy izoh berilgan. Shuningdek, innovatsion omillarning transformatsiya jarayonidagi o‘rni va funksional ahamiyati ochib berilgan. Maqolada milliy xo‘jalikning samarali rivojlanishini ta’minlash maqsadida innovatsion infratuzilma, raqamli texnologiyalar va ilmiy salohiyatni integratsiyalash bo‘yicha amaliy takliflar ishlab chiqilgan.
DOI: 10.5281/zenodo.18189472
title: MILLIY XO'JALIKNING IJTIMOIY-IQTISODIY TIZIMINI TRANSFORMATSIYALASHNING NAZARIY ASOSLARI (INNOVATSION OMILLAR VA ULARNING TIZIM TRANSFORMATSIYASIDAGI O'RNI)

description: Mazkur maqolada milliy xo‘jalikning ijtimoiy-iqtisodiy tizimini transformatsiyalash jarayonining nazariy asoslari yoritilgan. Milliy xo‘jalik tushunchasining mazmuni, uning ijtimoiy va iqtisodiy komponentlari hamda ularning o‘zaro bog‘liqligi tahlil qilingan. Transformatsion jarayonlarga turli iqtisodiy nazariyalar, xususan, institutsional, innovatsion va tizimli yondashuvlar asosida ilmiy izoh berilgan. Shuningdek, innovatsion omillarning transformatsiya jarayonidagi o‘rni va funksional ahamiyati ochib berilgan. Maqolada milliy xo‘jalikning samarali rivojlanishini ta’minlash maqsadida innovatsion infratuzilma, raqamli texnologiyalar va ilmiy salohiyatni integratsiyalash bo‘yicha amaliy takliflar ishlab chiqilgan.
DOI: 10.15468/dl.ex8mgh
title: Occurrence Download

description: A dataset containing 822 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Holothuria difficilis"
 ]
}

 The dataset includes 822 records from 53 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0082201-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.4u6qwm
title: Occurrence Download

description: A dataset containing 1 species occurrences available in GBIF matching the query:
{"type":"and","predicates":[{"type":"within","geometry":"POLYGON ((71.884513 24.508298, 71.80734 24.502721, 71.732088 24.486129, 71.66062599999999 24.458934, 71.594729 24.421812, 71.536029 24.375686, 71.485972 24.321701, 71.44579 24.261194, 71.416461 24.195663, 71.39869299999999 24.126729, 71.39290699999999 24.056092, 71.399224 23.985492, 71.41747100000001 23.916668, 71.447181 23.851309, 71.48760799999999 23.791018, 71.53774799999999 23.737273, 71.59636500000001 23.691387, 71.66201700000001 23.654482, 71.733099 23.627458, 71.807872 23.610976, 71.884513 23.605437, 71.96115399999999 23.610976, 72.035927 23.627458, 72.10700900000001 23.654482, 72.17266100000001 23.691387, 72.231278 23.737273, 72.281418 23.791018, 72.321845 23.851309, 72.351555 23.916668, 72.36980200000001 23.985492, 72.376119 24.056092, 72.370333 24.126729, 72.352565 24.195663, 72.32323599999999 24.261194, 72.28305400000001 24.321701, 72.232997 24.375686, 72.174297 24.421812, 72.1084 24.458934, 72.03693800000001 24.486129, 71.961686 24.502721, 71.884513 24.508298))"},{"type":"equals","key":"CLASS_KEY","value":"212","matchCase":false},{"type":"greaterThanOrEquals","key":"YEAR","value":"2015","matchCase":false},{"type":"not","predicate":{"type":"in","key":"BASIS_OF_RECORD","values":["MATERIAL_CITATION","MATERIAL_SAMPLE","PRESERVED_SPECIMEN"],"matchCase":false}},{"type":"lessThanOrEquals","key":"COORDINATE_UNCERTAINTY_IN_METERS","value":"10000","matchCase":false},{"type":"equals","key":"LICENSE","value":"CC BY 4.0","matchCase":false}]}

 The dataset includes 1 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0082202-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5066/p13ywuno
title: Channel bed hydraulic conductivity, stage, and evapotranspiration data at Bosque del Apache National Wildlife Refuge, New Mexico, 2022-2024

description: Bosque del Apache National Wildlife Refuge (the Refuge), located in central New Mexico was established in 1939 with the mission to provide habitats for federally listed species and other migrating waterfowl. The U.S. Geological Survey and the U.S. Fish and Wildlife Service jointly developed a study to evaluate uncertainty in the major water budget components. Before this study, it was not clear whether the accuracy and completeness of the water budget components were sufficient to evaluate water resources on the Refuge. The first item within the dataset contains all values needed to calculate hydraulic conductivity (K), raw calculated K values and averaged K values for each site. The second item contains a region of interest over which spatially averaged monthly mean evapotranspiration was calculated for 2022-2023 using various evapotranspiration models. The third item contains monthly staff plate readings used to determine the gradient between groundwater wells to the west of the Low Flow Conveyance Channel (LFCC) and the LFCC.
DOI: 10.5517/ccdc.csd.cc2pgj8z
title: CCDC 2486611: Experimental Crystal Structure Determination

description: Related Article: Sae Maeda, Ryota Usami, Kei Takamatsu, Moemi Takato, Shoko Kikkawa, Hidemasa Hikawa, Isao Azumaya|2025|Molecules|30|4185|doi:10.3390/molecules30214185
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.cc2pljb5
title: CCDC 2490457: Experimental Crystal Structure Determination

description: Related Article: Wataru Suzuki, Ayumi Okamoto, Yusuke Kizuki, Futo Tanaka, Ryo Inoue, Tomohiro Agou, Tomokazu Umeyama|2025|J.Org.Chem.|||doi:10.1021/acs.joc.5c02489
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.cc2pljc6
title: CCDC 2490458: Experimental Crystal Structure Determination

description: Related Article: Wataru Suzuki, Ayumi Okamoto, Yusuke Kizuki, Futo Tanaka, Ryo Inoue, Tomohiro Agou, Tomokazu Umeyama|2025|J.Org.Chem.|||doi:10.1021/acs.joc.5c02489
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.cc2pljf8
title: CCDC 2490460: Experimental Crystal Structure Determination

description: Related Article: Wataru Suzuki, Ayumi Okamoto, Yusuke Kizuki, Futo Tanaka, Ryo Inoue, Tomohiro Agou, Tomokazu Umeyama|2025|J.Org.Chem.|||doi:10.1021/acs.joc.5c02489
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.cc2pljg9
title: CCDC 2490461: Experimental Crystal Structure Determination

description: Related Article: Wataru Suzuki, Ayumi Okamoto, Yusuke Kizuki, Futo Tanaka, Ryo Inoue, Tomohiro Agou, Tomokazu Umeyama|2025|J.Org.Chem.|||doi:10.1021/acs.joc.5c02489
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.cc2pmxx5
title: CCDC 2491808: Experimental Crystal Structure Determination

description: Related Article: Yihui Liu, Di Zhong, Jinghua Huang, Ziliang Tang, Daxin Wang, Caihong Chen, Huihui Zeng, Shuzhi Hu|2026|Chem.Eng.Journal|527||doi:10.1016/j.cej.2025.171874
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.cc2pmy2c
title: CCDC 2491813: Experimental Crystal Structure Determination

description: Related Article: Bin Wang, Yunchen Jiang, Yingqi Han, Chao Chen|2025|J.Org.Chem.|||doi:10.1021/acs.joc.5c02570
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.cc2pngd7
title: CCDC 2492319: Experimental Crystal Structure Determination

description: Related Article: Sasha Hayes, Jonathan M. White, Bernd H.A. Rehm, Rohan A. Davis|2025|Tetrahedron|193||doi:10.1016/j.tet.2025.135104
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.cc2pngf8
title: CCDC 2492320: Experimental Crystal Structure Determination

description: Related Article: Sasha Hayes, Jonathan M. White, Bernd H.A. Rehm, Rohan A. Davis|2025|Tetrahedron|193||doi:10.1016/j.tet.2025.135104
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.cc2pnhrm
title: CCDC 2492361: Experimental Crystal Structure Determination

description: Related Article: Zi-Yao Yang, Jia-Qi Xiong, Li-Fang Zeng, Xiao-Wei Dai, Zi-Ying Zhong, Jian-Zhen Liao, Hua Ke|2025|Inorg.Chem.|||doi:10.1021/acs.inorgchem.5c04587
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.cc2pnhsn
title: CCDC 2492362: Experimental Crystal Structure Determination

description: Related Article: Zi-Yao Yang, Jia-Qi Xiong, Li-Fang Zeng, Xiao-Wei Dai, Zi-Ying Zhong, Jian-Zhen Liao, Hua Ke|2025|Inorg.Chem.|||doi:10.1021/acs.inorgchem.5c04587
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.cc2ppv2b
title: CCDC 2493642: Experimental Crystal Structure Determination

description: Related Article: Yuan Huang, Grigore A. Timco, George F.S. Whitehead, Selena J. Lockyer, Niklas Geue, Zhibo Qi, Adam Brookfield, Peter Bencok, Perdita E. Barran, Nicholas F. Chilton, Michael L. Baker, Eric J.L. McInnes, Richard E.P. Winpenny|2026|Inorg.Chim.Acta|592|123037|doi:10.1016/j.ica.2025.123037
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.cc2ppv4d
title: CCDC 2493644: Experimental Crystal Structure Determination

description: Related Article: Ayari Oshiro, Yusuke Sasano, Shu Saito, Yasuyuki Araki, Soichiro Sugiyama, Eunsang Kwon, Shinji Kajimoto, Yuse Kuriyama, Shohei Yoshinaga, Masaya Takahashi, Katsuhiko Sato, Naoki Shida, Yusuke Ishigaki, Mahito Atobe, Yoshiharu Iwabuchi|2025|J.Am.Chem.Soc.|||doi:10.1021/jacs.5c15272
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.cc2pq2wd
title: CCDC 2493884: Experimental Crystal Structure Determination

description: Related Article: Alexandra E. Kopotilova, Julia V. Permyakova, Ekaterina S. Starnovskaya, Tatyana N. Moshkina, Alexander S. Novikov, Pavel A. Slepukhin, Emiliya V. Nosova
|2025|Molecules|30|4420|doi:10.3390/molecules30224420
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.cc2pqvkv
title: CCDC 2494618: Experimental Crystal Structure Determination

description: Related Article: Yaozhen Wu, Panyun Song, Xunpeng Li, Xiao Sun, Wenjing Guo, Zhenhong Wei, Hu Cai|2025|Inorg.Chem.|||doi:10.1021/acs.inorgchem.5c05136
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.cc2pr1yg
title: CCDC 2494816: Experimental Crystal Structure Determination

description: Related Article: Yuji Mikata, Saori Yasuda, Poonyawee Suwankeeree, Runo Ozaki, Hideo Konno, Takashi Matsuo, Sunao Shoji|2025|J.Inorg.Biochem.|276|113194|doi:10.1016/j.jinorgbio.2025.113194
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.cc2pr1zh
title: CCDC 2494817: Experimental Crystal Structure Determination

description: Related Article: Yuji Mikata, Saori Yasuda, Poonyawee Suwankeeree, Runo Ozaki, Hideo Konno, Takashi Matsuo, Sunao Shoji|2025|J.Inorg.Biochem.|276|113194|doi:10.1016/j.jinorgbio.2025.113194
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.cc2pr20k
title: CCDC 2494818: Experimental Crystal Structure Determination

description: Related Article: Yuji Mikata, Saori Yasuda, Poonyawee Suwankeeree, Runo Ozaki, Hideo Konno, Takashi Matsuo, Sunao Shoji|2025|J.Inorg.Biochem.|276|113194|doi:10.1016/j.jinorgbio.2025.113194
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.