Prospects for structure solution by electron diffraction of three-dimensional protein crystals
Bibliographic record
Abstract
Recently we have performed a systematic quantitative analysis of crystal structure distortion for ~1300 ABX3 perovskites in terms of Ato B-site polyhedra volume ratios VA/VB [1]. The analysis identified a number of compositions close to the boundary of perovskite type stability which we have studied experimentally by in situ highpressure synchrotron X-ray powder diffraction. Here we will present the results of these experiments for several materials studied under pressure for the first time and will discuss our theoretical and experimental findings focusing on the following aspects of perovskite (pv) and post-perovskite CaIrO3 (ppv) structure types: (1) interplay between geometry and symmetry in distorted perovskites (is there any intermediate phase between pv and ppv?); (2) topological and geometrical constraints for ABX3 stoichiometry (what might be the structure of hypothetical structure types denser than ppv?); and (3) the effect of vacancies in ABX3 and pressure-induced amorphization as an alternative to pv-ppv transition.
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How this classification was reachedexpand
Full frame distilled prediction
Teacher imitationNot 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.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.001 | 0.002 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.000 | 0.000 |
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.
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 teacher head, 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".