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Record W2104979868 · doi:10.1107/s0108768102003464

CIF: the computer language of crystallography

2002· article· en· W2104979868 on OpenAlexaff
I. D. Brown, Brian T. McMahon

Bibliographic record

VenueActa Crystallographica Section B Structural Science · 2002
Typearticle
Languageen
FieldComputer Science
TopicGeochemistry and Geologic Mapping
Canadian institutionsMcMaster UniversityBrockhouse Institute for Materials Research
Fundersnot available
KeywordsComputer scienceASCIIFile formatSoftwareSalientCrystallographyProgramming languageDatabaseInformation retrievalChemistryArtificial intelligence

Abstract

fetched live from OpenAlex

The Crystallographic Information File (CIF) was adopted in 1990 by the International Union of Crystallography as a file structure for the archiving and distribution of crystallographic information. The CIF standard is now well established and is in regular use for reporting crystal structure determinations to Acta Crystallographica and other journals. The structure of CIF is flexible and extensible and is compatible with other evolving standards. It is well suited to relational and object-oriented models, and is being adopted by the crystallographic databases. This paper reviews the development of CIF and describes its salient features. Future extension of the standard to include implementation of methods will allow CIF to exploit the potential of advanced information-handling software.

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)0.028
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: Software · Consensus signal: none
Teacher disagreement score0.112
Threshold uncertainty score0.376

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0080.028
Meta-epidemiology (narrow)0.0040.002
Meta-epidemiology (broad)0.0050.003
Bibliometrics0.0100.013
Science and technology studies0.0030.003
Scholarly communication0.0120.010
Open science0.0090.005
Research integrity0.0060.011
Insufficient payload (model declined to judge)0.1120.082

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 head0.009
GPT teacher head0.211
Teacher spread0.201 · 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
GenreSoftware

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

Citations109
Published2002
Admission routes1
Has abstractyes

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