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Record W3134388414 · doi:10.1039/d0ce01712d

Crystallographic tomography and molecular modelling of structured organic polycrystalline powders

2021· article· en· W3134388414 on OpenAlex
Parmesh Gajjar, Thai Thu Hien Nguyen, Jun Sun, Ioanna Danai Styliari, Hrishikesh Bale, Samuel McDonald, Timothy L. Burnett, Benjamin Tordoff, E.M. Lauridsen, Robert B. Hammond, Darragh Murnane, Philip J. Withers, Kevin J. Roberts

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.

Bibliographic record

VenueCrystEngComm · 2021
Typearticle
Languageen
FieldChemistry
TopicCrystallography and molecular interactions
Canadian institutionsCentre for Drug Research and Development
FundersEngineering and Physical Sciences Research CouncilHenry Royce InstitutePfizer
KeywordsCrystalliteMaterials scienceCrystallographyTomographyComputed tomographyCrystal (programming language)ChemistryMetallurgyComputer scienceMedicineRadiology

Abstract

fetched live from OpenAlex

Novel combination of crystallographic tomography and molecular modelling is used to examine the powder packing behaviour and crystal interactions for an organic polycrystalline powder bed.

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.

Full frame distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow)
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.049
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0010.000

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 head0.011
GPT teacher head0.210
Teacher spread0.199 · 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