A new form of analytical chemistry: distinguishing the molecular structure of photo-induced states from ground-states
Bibliographic record
Abstract
This paper introduces a new analytical technique from the field of crystallography, and the optoelectronics motivation that underpins this effort. The essence of the photocrystallography technique is explained in the context of a four-dimensional (space-time) structural probe, and the four technically distinct time-windows of enquiry are presented. This features the complementary needs of laboratory, synchrotron and Free-electron laser based X-ray diffraction experiments. The different scales of atomic resolution required for the technique to be able to probe various photochemical phenomena are described. Sample requirements for photocrystallography experiments are also considered. The paper concludes by forecasting the prospective fortune of this new analytical technique to respond to major current challenges in the photovoltaic, optical data storage, and non-linear optics industries.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot 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.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.001 | 0.003 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.002 | 0.001 |
| Science and technology studies | 0.001 | 0.008 |
| Scholarly communication | 0.003 | 0.005 |
| Open science | 0.002 | 0.002 |
| Research integrity | 0.002 | 0.004 |
| Insufficient payload (model declined to judge) | 0.003 | 0.001 |
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.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
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".