| { |
| "all_source_statistics_match": true, |
| "canonical_all_totals": { |
| "both_modality_usable_records": 212440, |
| "c_max_peaks": 263, |
| "c_null_records": 0, |
| "c_total_peaks": 3287622, |
| "h_max_peaks": 34, |
| "h_null_records": 0, |
| "h_total_peaks": 1898067, |
| "j_empty_peaks": 1053267, |
| "j_nonempty_peaks": 844800, |
| "j_null_peaks": 0, |
| "rows": 212440, |
| "zero_integration_peaks": 0 |
| }, |
| "canonical_duplicate_record_ids": 0, |
| "canonical_schema_matches": true, |
| "dataset": "nmrtrans", |
| "source_format": "LZ4-compressed pickle containing NMRTrans/NMRSpec rows", |
| "source_observations": { |
| "c_shift_outlier_peaks": 444, |
| "c_shift_outlier_peaks_by_split": { |
| "test": 39, |
| "train": 359, |
| "val": 46 |
| }, |
| "c_shift_outlier_records": 372, |
| "c_shift_outlier_records_by_split": { |
| "test": 37, |
| "train": 297, |
| "val": 38 |
| }, |
| "h_shift_outlier_peaks": 1332, |
| "h_shift_outlier_peaks_by_split": { |
| "test": 136, |
| "train": 1086, |
| "val": 110 |
| }, |
| "h_shift_outlier_records": 1182, |
| "h_shift_outlier_records_by_split": { |
| "test": 126, |
| "train": 950, |
| "val": 106 |
| }, |
| "missing_j_policy": "Raw missing J values become empty canonical lists for this dataset.", |
| "raw_missing_j_peaks": 0, |
| "raw_missing_j_peaks_by_split": { |
| "test": 0, |
| "train": 0, |
| "val": 0 |
| }, |
| "records_over_60_c_peaks": 33, |
| "records_over_60_c_peaks_by_split": { |
| "test": 5, |
| "train": 25, |
| "val": 3 |
| }, |
| "records_over_60_h_peaks": 0, |
| "records_over_60_h_peaks_by_split": { |
| "test": 0, |
| "train": 0, |
| "val": 0 |
| }, |
| "shift_outlier_thresholds_ppm": { |
| "c": "outside [-20, 300]", |
| "h": "outside [-5, 20]" |
| }, |
| "zero_integration_records": 0, |
| "zero_integration_records_by_split": { |
| "test": 0, |
| "train": 0, |
| "val": 0 |
| } |
| }, |
| "source_split_bytes_total": 44247243, |
| "source_splits": { |
| "test": { |
| "bytes": 4430229, |
| "path": "models/NMRTrans/data/test.pkl.lz4", |
| "rows": 21298 |
| }, |
| "train": { |
| "bytes": 35400465, |
| "path": "models/NMRTrans/data/train.pkl.lz4", |
| "rows": 169863 |
| }, |
| "val": { |
| "bytes": 4416549, |
| "path": "models/NMRTrans/data/val.pkl.lz4", |
| "rows": 21279 |
| } |
| }, |
| "source_to_canonical_matches": { |
| "both_modality_usable_records": true, |
| "c_max_peaks": true, |
| "c_null_records": true, |
| "c_total_peaks": true, |
| "h_max_peaks": true, |
| "h_null_records": true, |
| "h_total_peaks": true, |
| "j_empty_peaks": true, |
| "j_nonempty_peaks": true, |
| "j_null_peaks": true, |
| "rows": true, |
| "zero_integration_peaks": true |
| }, |
| "source_totals": { |
| "both_modality_usable_records": 212440, |
| "c_max_peaks": 263, |
| "c_null_records": 0, |
| "c_total_peaks": 3287622, |
| "h_max_peaks": 34, |
| "h_null_records": 0, |
| "h_total_peaks": 1898067, |
| "j_empty_peaks": 1053267, |
| "j_nonempty_peaks": 844800, |
| "j_null_peaks": 0, |
| "rows": 212440, |
| "zero_integration_peaks": 0 |
| }, |
| "split_consistency": { |
| "all_count": 212440, |
| "all_equals_split_union": true, |
| "extra_in_all_count": 0, |
| "missing_from_all_count": 0, |
| "split_counts": { |
| "test": 21298, |
| "train": 169863, |
| "val": 21279 |
| }, |
| "split_overlap_count": 0 |
| } |
| } |
|
|
