File size: 2,777 Bytes
e9e659e | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 | {
"all_source_statistics_match": true,
"canonical_all_totals": {
"both_modality_usable_records": 794370,
"c_max_peaks": 74,
"c_null_records": 0,
"c_total_peaks": 13936707,
"h_max_peaks": 28,
"h_null_records": 0,
"h_total_peaks": 7329649,
"j_empty_peaks": 3114029,
"j_nonempty_peaks": 4215620,
"j_null_peaks": 0,
"rows": 794370,
"zero_integration_peaks": 9085
},
"canonical_duplicate_record_ids": 0,
"canonical_schema_matches": true,
"dataset": "mst_nmr",
"source_format": "LMDB containing pickled processed NMRPeak records",
"source_observations": {
"missing_j_policy": "Raw missing J values become empty canonical lists for this dataset.",
"raw_missing_j_peaks": 3114029,
"raw_missing_j_peaks_by_split": {
"test": 311268,
"train": 2662955,
"val": 139806
},
"records_over_60_c_peaks": 2203,
"records_over_60_c_peaks_by_split": {
"test": 216,
"train": 1894,
"val": 93
},
"records_over_60_h_peaks": 0,
"records_over_60_h_peaks_by_split": {
"test": 0,
"train": 0,
"val": 0
},
"zero_integration_records": 7093,
"zero_integration_records_by_split": {
"test": 726,
"train": 6056,
"val": 311
}
},
"source_split_bytes_total": 3019923456,
"source_splits": {
"test": {
"bytes": 301727744,
"path": "models/NMRPeak/data/MST_NMR/lmdb_dataset/test.lmdb",
"rows": 79437
},
"train": {
"bytes": 2582532096,
"path": "models/NMRPeak/data/MST_NMR/lmdb_dataset/train.lmdb",
"rows": 679186
},
"val": {
"bytes": 135663616,
"path": "models/NMRPeak/data/MST_NMR/lmdb_dataset/valid.lmdb",
"rows": 35747
}
},
"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": 794370,
"c_max_peaks": 74,
"c_null_records": 0,
"c_total_peaks": 13936707,
"h_max_peaks": 28,
"h_null_records": 0,
"h_total_peaks": 7329649,
"j_empty_peaks": 3114029,
"j_nonempty_peaks": 4215620,
"j_null_peaks": 0,
"rows": 794370,
"zero_integration_peaks": 9085
},
"split_consistency": {
"all_count": 794370,
"all_equals_split_union": true,
"extra_in_all_count": 0,
"missing_from_all_count": 0,
"split_counts": {
"test": 79437,
"train": 679186,
"val": 35747
},
"split_overlap_count": 0
}
}
|