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Record W4416193857 · doi:10.26434/chemrxiv-2025-409m2

Faster, Simpler, and More Precise Calibration Curves: Expanding the Scope of Continuous Calibration

2025· article· W4416193857 on OpenAlexafffund
Peter J. H. Williams, Nadini Thushara, Amin Yousefi, Harrison Mundschutz, Dennis K. Hore, J. Scott McIndoe

Bibliographic record

VenueChemRxiv · 2025
Typearticle
Language
FieldChemistry
TopicSpectroscopy and Chemometric Analyses
Canadian institutionsUniversity of Victoria
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsCalibrationRange (aeronautics)AnalyteCalibration curveScope (computer science)Noise (video)Matrix (chemical analysis)

Abstract

fetched live from OpenAlex

Accurate calibration curves are essential for quantitative analysis but are often neglected due to their time, cost, and labour demands. Traditional calibration involves measuring solutions of known concentrations to construct a calibration curve relating analyte concentration to instrument response. While these relationships rarely follow simple closed-form equations, linear approximations are commonly used for simplicity, often being fitted with too few data points for high-accuracy calibration. Continuous calibration was previously developed to address these challenges by continuously infusing a concentrated calibrant solution into a clean matrix solution while monitoring the response in real time. This approach significantly reduces time and labour while generating extensive data, improving calibration precision and accuracy. Despite its advantages, method limitations and technical complexities have hindered widespread adoption. Here, continuous calibration is expanded and simplified with modern accessible equipment, open-source code, and a user-friendly web tool which streamline data processing, generating smoothed and equation-fitted calibration curves complete with quality-of-fit and dynamic range estimates. This method was applied to a broad range of systems and analytical techniques, including external, standard addition, and internal standardization calibrations, and mass spectrometry, and infrared and ultraviolet–visible spectroscopies, with the latter yielding molar absorption coefficients from a single experiment. By reducing time and effort while enhancing precision, these advancements have the potential to improve experimental quality and efficiency across numerous fields.

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)0.015
metaresearch head score (Gemma)0.031
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: none
GenreCandidate signal: Methods · Consensus signal: Methods
Teacher disagreement score0.015
Threshold uncertainty score0.079

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0150.031
Meta-epidemiology (narrow)0.0030.002
Meta-epidemiology (broad)0.0020.002
Bibliometrics0.0050.005
Science and technology studies0.0010.002
Scholarly communication0.0050.006
Open science0.0040.004
Research integrity0.0030.007
Insufficient payload (model declined to judge)0.0100.010

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 head0.017
GPT teacher head0.300
Teacher spread0.282 · 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 designBench or experimental
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

Citations0
Published2025
Admission routes2
Has abstractyes

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