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Record W4402780611 · doi:10.1039/d4ce90117g

Correction: Quadrupolar NMR crystallography guided crystal structure prediction (QNMRX-CSP)

2024· article· en· W4402780611 on OpenAlexafffund
Austin A. Peach, Carl H. Fleischer, Kirill Levin, Sean T. Holmes, Jazmine E. Sanchez, Robert W. Schurko

Bibliographic record

VenueCrystEngComm · 2024
Typearticle
Languageen
FieldChemistry
TopicAdvanced NMR Techniques and Applications
Canadian institutionsMcGill University
FundersNatural Sciences and Engineering Research Council of CanadaNational High Magnetic Field LaboratoryBasic Energy SciencesFlorida State UniversityNational Science Foundation
KeywordsCrystallographyCrystal structureCrystal structure predictionMaterials scienceChemistry

Abstract

fetched live from OpenAlex

Correction for ‘Quadrupolar NMR crystallography guided crystal structure prediction (QNMRX-CSP)’ by Austin A. Peach et al. , CrystEngComm , 2024, 26 , 4782–4803, https://doi.org/10.1039/D3CE01306E.

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)0.005
metaresearch head score (Gemma)0.078
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Not applicable · Consensus signal: Not applicable
GenreCandidate signal: Other · Consensus signal: none
Teacher disagreement score0.276
Threshold uncertainty score0.922

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0050.078
Meta-epidemiology (narrow)0.0030.002
Meta-epidemiology (broad)0.0030.003
Bibliometrics0.0060.006
Science and technology studies0.0040.003
Scholarly communication0.0060.004
Open science0.0070.005
Research integrity0.0080.010
Insufficient payload (model declined to judge)0.2760.153

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 head0.012
GPT teacher head0.269
Teacher spread0.257 · 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 designNot applicable
Domainnot available
GenreOther

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

Citations0
Published2024
Admission routes2
Has abstractyes

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