Fourier transform spectra of the ν<sub>16</sub>, 2ν<sub>16</sub>, and 2ν<sub>16</sub>–ν<sub>16</sub> bands of pyrrole taken with synchrotron radiationThis article is part of a Special Issue on Spectroscopy at the University of New Brunswick in honour of Colan Linton and Ron Lees.
Bibliographic record
Abstract
Rotationally-resolved vibrational spectra of three bands related to the lowest frequency vibration of the five-membered heterocycle pyrrole (c-C4H4NH) have been recorded using infrared light from the Canadian Light Source synchrotron as the source. The N-H out-of-plane wagging fundamental band ν16 (474.6 cm–1) was recorded with 0.001 cm–1 resolution along with the first hot band 2ν16–ν16 (488.1 cm–1). Both are governed by c-type selection rules. The first overtone 2ν16 (962.7 cm–1) was recorded with 0.0013 cm–1 resolution and has a-type rotational structure. A total of 9103 lines were assigned and included in a simultaneous fit of all three bands. The band origins and excited state rotational parameters were well-determined using Watson’s S-reduced Hamiltonian, Ir representation as seen by the low rms error of the global fit: 0.000 172 cm–1.
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 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 | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.001 | 0.001 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.020 | 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".