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Record W1581689621 · doi:10.1038/nsmb.3041

NMR Exchange Format: a unified and open standard for representation of NMR restraint data

2015· letter· en· W1581689621 on OpenAlexafffund
Aleksandras Gutmanas, Paul D. Adams, Benjamin Bardiaux, Helen M. Berman, David A. Case, Rasmus H. Fogh, Peter Güntert, P. Hendrickx, Torsten Herrmann, Gerard J. Kleywegt, Naohiro Kobayashi, Oliver F. Lange, John L. Markley, G.T. Montelione, Michaël Nilges, Timothy J. Ragan, Charles D. Schwieters, Roberto Tejero, Eldon L. Ulrich, Sameer Velankar, Wim Vranken, Jonathan R. Wedell, John Westbrook, David S. Wishart, Geerten W. Vuister

Bibliographic record

VenueNature Structural & Molecular Biology · 2015
Typeletter
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicMetabolomics and Mass Spectrometry Studies
Canadian institutionsUniversity of Alberta
FundersNational Bioscience Database CenterU.S. National Library of MedicineNational Institute of General Medical SciencesNational Institutes of HealthVolkswagen FoundationInstitute for Protein Research, Osaka UniversityDirectorate for Biological SciencesJapan Society for the Promotion of ScienceMedical Research CouncilTokyo Metropolitan UniversityTechnische Universität MünchenCentre National de la Recherche ScientifiqueEuropean Molecular Biology LaboratoryEuropean Bioinformatics InstituteVrije Universiteit BrusselGoethe-Universität Frankfurt am MainUniversity of AlbertaCenter for Information TechnologyRutgers, The State University of New JerseyWellcome TrustBiotechnology and Biological Sciences Research CouncilVlaams Instituut voor BiotechnologieUniversity of Wisconsin-MadisonJapan Science and Technology AgencyInnovirisUniversity of LeicesterNational Science Foundation
KeywordsRepresentation (politics)Nuclear magnetic resonance spectroscopyChemistryComputer scienceStereochemistryPolitical science

Abstract

fetched live from OpenAlex

We present here a unified, easily adaptable, open-source NMR exchange format (NEF) for NMR restraints and associated data.

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)0.008
metaresearch head score (Gemma)0.016
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesOpen science, Insufficient payload (model declined to judge)
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Not applicable · Consensus signal: Not applicable
GenreCandidate signal: Methods · Consensus signal: none
Teacher disagreement score0.985
Threshold uncertainty score0.662

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0080.016
Meta-epidemiology (narrow)0.0060.004
Meta-epidemiology (broad)0.0060.002
Bibliometrics0.0040.008
Science and technology studies0.0030.001
Scholarly communication0.0080.008
Open science0.0150.005
Research integrity0.0050.009
Insufficient payload (model declined to judge)0.5360.488

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 head0.036
GPT teacher head0.373
Teacher spread0.337 · 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.

Study designNot applicable
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

Citations52
Published2015
Admission routes2
Has abstractyes

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