# Verification record — UltraMS SpectraVerse benchmark v1.0.0

All values below were recomputed from the released table and the split table.

## Table identity

| item | value |
| --- | --- |
| file | `Spectraverse.csv` |
| bytes | 707,447,509 |
| SHA-256 | `06e084501e91f92cc642c3d60de2863266ff3d0db958354a011e32851bef3976` |
| data rows | 464,346 |
| columns | `mzs, intensities, smiles, precursor_mz, adduct, collision_energy, fold` |

## Split checks (computed from `Spectraverse.csv`)

| check | result |
| --- | --- |
| spectra in train / validation / test | 370,362 / 47,825 / 46,159 |
| unique exact SMILES | 42,308 |
| unique exact SMILES per fold | 33,846 / 4,231 / 4,231 |
| exact SMILES appearing in more than one fold | **0** |
| split table rows | 42,308 |
| sum of `n_spectra` over split rows | 464,346 |

The partition is molecule/SMILES-disjoint by construction and is **not** formula-disjoint;
molecular formulas recur across folds because structural isomers share a formula.

## Reproduce

```bash
python3 - <<'PY'
import pandas as pd
s = pd.read_csv("Spectraverse.csv")
split = pd.read_csv("splits/spectraverse_compound_split.csv")
assert len(s) == 464_346
assert s.fold.value_counts().to_dict() == {"train": 370_362, "val": 47_825, "test": 46_159}
assert split.smiles.nunique() == 42_308
assert split.groupby("smiles").fold.nunique().max() == 1
assert int(split.n_spectra.sum()) == 464_346
print("ok")
PY
```