cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.18615602
title: Data and Code for: Chemodynamical Outlier Detection in Gaia DR3 Using β-Variational Autoencoders

description: This dataset accompanies the Research Note "Chemodynamical Outlier Detection in Gaia DR3 Using β-Variational Autoencoders" (Robles Leyton 2026, RNAAS).

Contents:

  - Top 21 chemodynamical outliers identified by β-VAE reconstruction error

  - β-VAE training code (PyTorch implementation)

  - Paper manuscript (LaTeX) and diagnostic figure

  - Full documentation and requirements

 

  Key results:

  - 70.7% of classical outliers recovered

  - 29.3% additional candidates flagged (missed by traditional cuts)

  - 2 stars with disk chemistry + halo dynamics (heated disk candidates)

  The method learns correlations between 9 orbital features (e, z_max, L_z, E, U, V, W, R, z) and identifies rare combinations through unsupervised anomaly detection.

 

  Data sources: Gaia DR3, LAMOST DR7, APOGEE DR17.
DOI: 10.5281/zenodo.18615603
title: Data and Code for: Chemodynamical Outlier Detection in Gaia DR3 Using β-Variational Autoencoders

description: This dataset accompanies the Research Note "Chemodynamical Outlier Detection in Gaia DR3 Using β-Variational Autoencoders" (Robles Leyton 2026, RNAAS).

Contents:

  - Top 21 chemodynamical outliers identified by β-VAE reconstruction error

  - β-VAE training code (PyTorch implementation)

  - Paper manuscript (LaTeX) and diagnostic figure

  - Full documentation and requirements

 

  Key results:

  - 70.7% of classical outliers recovered

  - 29.3% additional candidates flagged (missed by traditional cuts)

  - 2 stars with disk chemistry + halo dynamics (heated disk candidates)

  The method learns correlations between 9 orbital features (e, z_max, L_z, E, U, V, W, R, z) and identifies rare combinations through unsupervised anomaly detection.

 

  Data sources: Gaia DR3, LAMOST DR7, APOGEE DR17.
DOI: 10.15468/dl.b89gpx
title: Occurrence Download

description: A dataset containing 265 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Epipogium roseum",
 "HasCoordinate is true",
 "BasisOfRecord is one of (Specimen)"
 ]
}

 The dataset includes 265 records from 36 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009781-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.wqb3hj
title: Occurrence Download

description: A dataset containing 6 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "or" : [
 "PublishingCountry is Colombia",
 {
 "and" : [
 "Country is Colombia",
 {
 "not" : {
 "Issue" : [
 "is Country coordinate mismatch"
 ]
 }
 }
 ]
 }
 ]
 },
 {
 "and" : [
 "TaxonKey is one of (Amphibia [GBIF Backbone Taxonomy], Squamata [GBIF Backbone Taxonomy], Crocodylia [GBIF Backbone Taxonomy], Testudines [GBIF Backbone Taxonomy])",
 "Geometry POLYGON((-75.90973 4.82303,-75.90138 4.85318,-75.91551 4.86227,-75.916 4.87649,-75.92889 4.86015,-75.94541 4.85776,-75.95581 4.86184,-75.96819 4.86066,-75.97841 4.86619,-75.98828 4.87198,-75.9882 4.8862,-75.98539 4.90542,-75.99299 4.91357,-76.00357 4.92106,-76.01282 4.92854,-76.02603 4.93957,-76.03182 4.945,-76.0343 4.96097,-76.04189 4.98105,-76.0485 5.00014,-76.05181 5.00673,-76.05577 5.01331,-76.06436 5.0166,-76.06767 5.02516,-76.0789 5.03635,-76.09476 5.03701,-76.09476 5.02779,-76.09542 5.0166,-76.09939 5.00738,-76.09741 4.99685,-76.08948 4.98171,-76.0908 4.94616,-76.09939 4.9185,-76.09146 4.90731,-76.08551 4.90929,-76.07229 4.90204,-76.05974 4.89612,-76.04256 4.88361,-76.03595 4.87307,-76.03264 4.86451,-76.02273 4.86583,-76.0148 4.86649,-75.99431 4.85793,-75.98837 4.84937,-75.97515 4.84278,-75.9659 4.84739,-75.954 4.84805,-75.94409 4.84212,-75.94343 4.83422,-75.93352 4.83422,-75.92096 4.82895,-75.91766 4.82237,-75.90973 4.82303))"
 ]
 }
 ]
}

 The dataset includes 6 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009780-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.rrv2ku
title: Occurrence Download

description: A dataset containing 66 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Stachytarpheta chascanoides",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is Fossil"
 ]
 }
 }
 ]
}

 The dataset includes 66 records from 20 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009782-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.h8ygpf
title: Occurrence Download

description: A dataset containing 116 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is Europe",
 "OccurrenceStatus is Present",
 "TaxonKey is Thunnus thynnus",
 "Year 1960-1997"
 ]
}

 The dataset includes 116 records from 11 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009783-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.x4zxew
title: Occurrence Download

description: A dataset containing 104 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Astrodoras asterifrons",
 "DecimalLatitude is not null",
 "DecimalLongitude is not null"
 ]
}

 The dataset includes 104 records from 18 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009784-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.18603136
title: Accurate Macromolecular Complex Modeling for Cryo-EM with CryoZeta

description: We prepared CryoZeta benchmark dataset to evaluate structure modeling of proteins and nucleic acids in cryo-EM maps. The dataset consists of 4 subsets organized by model variants and benchmark datasets:



CryoZeta (Structures of CryoZeta on 200 test entries)

CryoZeta-Interpolate (Structures of CryoZeta-Interpolate on 200 test entries)

CryoZeta-Combine (Structures of CryoZeta-Combine on 200 test entries)

CryoZeta_large_complex (Structures of CryoZeta on 51 large complex test entries)


Each directory contains CIF format models generated by the corresponding CryoZeta variants, named as CryoZeta_[PDBID].cif, which correspond to PDB entries (e.g., CryoZeta_9mk9.cif for 9MK9 in PDB).
DOI: 10.5281/zenodo.18603135
title: Accurate Macromolecular Complex Modeling for Cryo-EM with CryoZeta

description: We prepared CryoZeta benchmark dataset to evaluate structure modeling of proteins and nucleic acids in cryo-EM maps. The dataset consists of 4 subsets organized by model variants and benchmark datasets:



CryoZeta (Structures of CryoZeta on 200 test entries)

CryoZeta-Interpolate (Structures of CryoZeta-Interpolate on 200 test entries)

CryoZeta-Combine (Structures of CryoZeta-Combine on 200 test entries)

CryoZeta_large_complex (Structures of CryoZeta on 51 large complex test entries)


Each directory contains CIF format models generated by the corresponding CryoZeta variants, named as CryoZeta_[PDBID].cif, which correspond to PDB entries (e.g., CryoZeta_9mk9.cif for 9MK9 in PDB).
DOI: 10.15468/dl.du49su
title: Occurrence Download

description: A dataset containing 80 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Eria javanica",
 "HasCoordinate is true",
 "BasisOfRecord is one of (Specimen)"
 ]
}

 The dataset includes 80 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009785-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.xaucs6
title: Occurrence Download

description: A dataset containing 95 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Stachytarpheta mexiae",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is Fossil"
 ]
 }
 }
 ]
}

 The dataset includes 95 records from 18 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009786-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.3535/x00-p6w-09w
title: Aegilops neglecta Req. ex Bertol.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/zfn-exe-47l
title: Aegilops neglecta Req. ex Bertol.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/5ad-6cs-srt
title: Aegilops neglecta Req. ex Bertol.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/qn7-v88-1k2
title: Apera spica-venti (L.) P.Beauv.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/fnm-mx7-9jg
title: Apera spica-venti (L.) P.Beauv.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/6nt-fgf-bs1
title: Apera spica-venti (L.) P.Beauv.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/t9g-zmx-6h0
title: Aegilops biuncialis Vis.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/q0y-ebd-60k
title: Aegilops cylindrica Host

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/sl9-52v-ybt
title: Aegilops neglecta Req. ex Bertol.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/qn8-sl0-l3n
title: Aegilops comosa Sm.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/47n-vz7-vj3
title: Aegilops neglecta Req. ex Bertol.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/hfd-qqr-k5l
title: Aegilops neglecta Req. ex Bertol.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/a0m-ler-kve
title: Aegilops neglecta Req. ex Bertol.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/k24-hrv-ge6
title: Aegilops comosa Sm.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/stz-nsf-ygt
title: Aegilops comosa Sm.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/0l4-y38-ckk
title: Aegilops neglecta Req. ex Bertol.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/rgb-w8q-ctb
title: Aegilops comosa Sm.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.15468/dl.t6tqk2
title: Occurrence Download

description: A dataset containing 340 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is eDNA‑based detection of the invasive crayfish Pacifastacus leniusculus in streams with a LAMP assay using dependent replicates to gain higher sensitivity"
 ]
}

 The dataset includes 340 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0113042-250525065834625/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.3535/6le-kpw-yne
title: Aegilops neglecta Req. ex Bertol.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/eeq-kdh-epl
title: Aegilops comosa Sm.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/awy-yny-xa3
title: Aegilops comosa Sm.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/cnn-wn4-mtk
title: Aegilops neglecta Req. ex Bertol.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/ack-kyh-d0f
title: Astragalus hamosus L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/n13-s8y-g0m
title: Aegilops biuncialis Vis.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/p1x-epj-lvb
title: Aegilops neglecta Req. ex Bertol.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/434-frh-cab
title: Astragalus hamosus L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/7re-7sh-3pd
title: Aegilops neglecta Req. ex Bertol.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/3hj-plh-23m
title: Aegilops neglecta Req. ex Bertol.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/5dq-4av-fww
title: Alopecurus myosuroides Huds.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/cxn-h9y-clc
title: Alopecurus myosuroides Huds.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/a62-jpl-5k6
title: Aegilops neglecta Req. ex Bertol.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/mmw-j0z-xl0
title: Alopecurus rendlei Eig

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/c60-qh7-yn9
title: Aegilops neglecta Req. ex Bertol.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/mkb-12s-wf8
title: Aegilops neglecta Req. ex Bertol.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/dxt-vzp-296
title: Aegilops neglecta Req. ex Bertol.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/0ed-vb9-gq5
title: Aegilops neglecta Req. ex Bertol.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/8sa-sjz-ex0
title: Aegilops neglecta Req. ex Bertol.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/gj0-r1c-n74
title: Aegilops neglecta Req. ex Bertol.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/yhj-m1w-dsx
title: Aegilops neglecta Req. ex Bertol.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/ggf-rra-r8s
title: Aegilops neglecta Req. ex Bertol.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/ly0-wsp-bds
title: Aegilops neglecta Req. ex Bertol.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/as7-16l-atx
title: Aegilops triuncialis L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/ls5-434-hmb
title: Aegilops triuncialis L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/xsx-6mh-kw5
title: Aegilops triuncialis L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/cjc-r5w-jxr
title: Aegilops triuncialis L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/h3j-svr-mhf
title: Aegilops triuncialis L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/qg0-w8s-yb4
title: Aegilops triuncialis L.

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/zmg-bmr-etv
title: Amaranthus blitoides S. Watson

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.3535/vhg-xme-kej
title: Amaranthus blitoides S. Watson

description: Digital Specimen for the physical specimen hosted at Botanic Garden and Botanical Museum Berlin.
DOI: 10.5517/ccwf1cp
title: CCDC 816892: Experimental Crystal Structure Determination

description: Related Article: Boris A. Zakharov, Andrey G. Ogienko, Alexander S. Yunoshev, Alexey I. Ancharov, Elena V. Boldyreva|2015|CrystEngComm|17|7543|doi:10.1039/C5CE01213A
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/ccwf19m
title: CCDC 816890: Experimental Crystal Structure Determination

description: Related Article: Boris A. Zakharov, Andrey G. Ogienko, Alexander S. Yunoshev, Alexey I. Ancharov, Elena V. Boldyreva|2015|CrystEngComm|17|7543|doi:10.1039/C5CE01213A
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/ccwf1bn
title: CCDC 816891: Experimental Crystal Structure Determination

description: Related Article: Boris A. Zakharov, Andrey G. Ogienko, Alexander S. Yunoshev, Alexey I. Ancharov, Elena V. Boldyreva|2015|CrystEngComm|17|7543|doi:10.1039/C5CE01213A
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.2.2.14401.56168
title: 'exp2flux' Convert Gene EXPression Data to FBA FLUXes
DOI: 10.5517/ccwf17k
title: CCDC 816888: Experimental Crystal Structure Determination

description: Related Article: Boris A. Zakharov, Andrey G. Ogienko, Alexander S. Yunoshev, Alexey I. Ancharov, Elena V. Boldyreva|2015|CrystEngComm|17|7543|doi:10.1039/C5CE01213A
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/ccwf18l
title: CCDC 816889: Experimental Crystal Structure Determination

description: Related Article: Boris A. Zakharov, Andrey G. Ogienko, Alexander S. Yunoshev, Alexey I. Ancharov, Elena V. Boldyreva|2015|CrystEngComm|17|7543|doi:10.1039/C5CE01213A
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.2.2.19434.72646
title: Статистическая модель, описывающая факторы, обусловливающие эпизоотическую активность Центрально-Кавказского высокогорного природного очага чумы.
DOI: 10.5517/ccwf16j
title: CCDC 816887: Experimental Crystal Structure Determination

description: Related Article: Boris A. Zakharov, Andrey G. Ogienko, Alexander S. Yunoshev, Alexey I. Ancharov, Elena V. Boldyreva|2015|CrystEngComm|17|7543|doi:10.1039/C5CE01213A
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/ccwf14g
title: CCDC 816885: Experimental Crystal Structure Determination

description: Related Article: Boris A. Zakharov, Andrey G. Ogienko, Alexander S. Yunoshev, Alexey I. Ancharov, Elena V. Boldyreva|2015|CrystEngComm|17|7543|doi:10.1039/C5CE01213A
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/ccwf15h
title: CCDC 816886: Experimental Crystal Structure Determination

description: Related Article: Boris A. Zakharov, Andrey G. Ogienko, Alexander S. Yunoshev, Alexey I. Ancharov, Elena V. Boldyreva|2015|CrystEngComm|17|7543|doi:10.1039/C5CE01213A
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/ccy2h5n
title: CCDC 866331: Experimental Crystal Structure Determination

description: Related Article: Shu-Long Wang, Ling-Yu Zhang, Wen-Jia Xu, Qin Huang|2015|Mol.Cryst.Liq.Cryst.|607|181|doi:10.1080/15421406.2014.927977
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/ccyqsw9
title: CCDC 885852: Experimental Crystal Structure Determination

description: Related Article: Rama Kant, Vishal Singh, Alka Agarwal|2015|Proc.Nat.Acad.Sci.,India,Sect.A|85|329|doi:10.1007/s40010-015-0214-4
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.