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Record W2292767755 · doi:10.1038/ncomms10882

Data publication with the structural biology data grid supports live analysis

2016· article· en· W2292767755 on OpenAlexaff
Peter Meyer, Stephanie Socias, Jason Key, Elizabeth Ransey, Emily Tjon, Alejandro Buschiazzo, Ming Lei, Chris Botka, James R. Withrow, David B. Neau, Kanagalaghatta R. Rajashankar, Karen S. Anderson, Richard H. G. Baxter, Stephen C. Blacklow, Titus J. Boggon, Alexandre M. J. J. Bonvin, Dominika Borek, Tom J. Brett, Amedeo Caflisch, Chung‐I Chang, Walter Chazin, Kevin D. Corbett, Michael S. Cosgrove, Sean Crosson, Sirano Dhe‐Paganon, Enrico Di, Catherine L. Drennan, Michael J. Eck, Brandt F. Eichman, Qing Fan, A.R. Ferré-D′Amaré, J. Christopher Fromme, K. Christopher García, Rachelle Gaudet, Peng Gong, Stephen C. Harrison, Ekaterina E. Heldwein, Zongchao Jia, Robert J. Keenan, Andrew C. Kruse, Marc Kvansakul, Jason S. McLellan, Yorgo Modis, Yunsun Nam, Zbyszek Otwinowski, E.F. Pai, Pedro José Barbosa Pereira, Carlo Petosa, C.S. Raman, Tom A. Rapoport, Antonina Roll‐Mecak, Michael K. Rosen, Gabby Rudenko, Joseph Schlessinger, Thomas Schwartz, Yousif Shamoo, Holger Sondermann, Yizhi Jane Tao, Niraj H. Tolia, O.V. Tsodikov, Kenneth D. Westover, Hao Wu, Ian Foster, James S. Fraser, Filipe R. N. C. Maia, Tamir Gonen, Tomas Kirchhausen, Kay Diederichs, Mercè Crosas, Piotr Sliz

Bibliographic record

VenueNature Communications · 2016
Typearticle
Languageen
FieldMaterials Science
TopicEnzyme Structure and Function
Canadian institutionsUniversity of TorontoOntario Institute for Cancer ResearchQueen's University
FundersNational Center for Research ResourcesNational Institute of General Medical SciencesNational Institute of Biomedical Imaging and BioengineeringWellcome TrustU.S. Department of EnergyHoward Hughes Medical InstituteNational Institute of Standards and TechnologyLeona M. and Harry B. Helmsley Charitable TrustNational Institutes of HealthNational Science Foundation
KeywordsComputer scienceGridData scienceData qualityData gridData miningData collectionInformation retrievalSemantic gridGeographyMathematics

Abstract

fetched live from OpenAlex

Access to experimental X-ray diffraction image data is fundamental for validation and reproduction of macromolecular models and indispensable for development of structural biology processing methods. Here, we established a diffraction data publication and dissemination system, Structural Biology Data Grid (SBDG; data.sbgrid.org), to preserve primary experimental data sets that support scientific publications. Data sets are accessible to researchers through a community driven data grid, which facilitates global data access. Our analysis of a pilot collection of crystallographic data sets demonstrates that the information archived by SBDG is sufficient to reprocess data to statistics that meet or exceed the quality of the original published structures. SBDG has extended its services to the entire community and is used to develop support for other types of biomedical data sets. It is anticipated that access to the experimental data sets will enhance the paradigm shift in the community towards a much more dynamic body of continuously improving data analysis.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.036
metaresearch head score (Gemma)0.091
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Simulation or modeling · Consensus signal: none
GenreCandidate signal: Methods · Consensus signal: none
Teacher disagreement score0.069
Threshold uncertainty score0.232

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0360.091
Meta-epidemiology (narrow)0.0020.002
Meta-epidemiology (broad)0.0040.003
Bibliometrics0.0080.019
Science and technology studies0.0030.002
Scholarly communication0.0090.009
Open science0.0100.012
Research integrity0.0030.009
Insufficient payload (model declined to judge)0.0690.092

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.045
GPT teacher head0.334
Teacher spread0.289 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designSimulation or modeling
Domainnot available
GenreMethods

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations132
Published2016
Admission routes1
Has abstractyes

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Same venueNature CommunicationsSame topicEnzyme Structure and FunctionFrench-language works237,207