Table 1
Overview of the dataset and the fit quality.
| By measurement uncertainty | By torsional state | ||||
|---|---|---|---|---|---|
| Unc. (a) | # (b) | rms (c) | υt (d) | # (b) | wrms (e) |
| 0.010 MHz | 5198 | 0.0085 MHz | υt = 0 ← 0 | 6847 | 0.82 |
| 0.020 MHz | 932 | 0.0169 MHz | υt = 1 ←− 1 | 5694 | 0.88 |
| 0.030 MHz | 1095 | 0.0246 MHz | υt = 2 ← 2 | 363 | 0.89 |
| 0.050 MHz | 1224 | 0.0389 MHz | υt = 1 ← 0 | 3330 | 0.94 |
| 0.100 MHz | 1086 | 0.0765 MHz | υt = 2 ← 1 | 346 | 0.87 |
| 0.200 MHz | 628 | 0.1382 MHz | υt = 1 ← 2 | 3 | 0.62 |
| 2 × 10−4 cm−1 | 4758 | 1.8 × 10−4 cm−1 | |||
Notes. (a)Estimated measurement uncertainties for each data group. (b) Number of lines (left part) or transitions (right part) of each category in the least-squares fit. We note that due to blending, 14921 measured line frequencies correspond to 16 583 transitions in the fit, which in turn due to the presence of duplicate measurements represent 15 049 unique transitions in the fit. (c)Root mean square deviation of corresponding data group. (d)Upper- and lower-state torsional quantum number υt. (e)Weighted root mean square deviation of the corresponding data group.
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