nmr-processing-artifacts / nmrexp /source_comparison.json
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{
"all_source_statistics_match": true,
"canonical_all_totals": {
"both_modality_usable_records": 784251,
"c_max_peaks": 55,
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"c_total_peaks": 13892997,
"h_max_peaks": 28,
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"j_nonempty_peaks": 3477833,
"j_null_peaks": 0,
"rows": 1076955,
"zero_integration_peaks": 0
},
"canonical_duplicate_record_ids": 0,
"canonical_schema_matches": true,
"dataset": "nmrexp",
"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": 0,
"raw_missing_j_peaks_by_split": {
"test": 0,
"train": 0,
"val": 0
},
"records_over_60_c_peaks": 0,
"records_over_60_c_peaks_by_split": {
"test": 0,
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"val": 0
},
"records_over_60_h_peaks": 0,
"records_over_60_h_peaks_by_split": {
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"val": 0
},
"zero_integration_records": 0,
"zero_integration_records_by_split": {
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"train": 0,
"val": 0
}
},
"source_split_bytes_total": 3359444992,
"source_splits": {
"test": {
"bytes": 336056320,
"path": "models/NMRPeak/data/NMRexp/lmdb_dataset/test.lmdb",
"rows": 107696
},
"train": {
"bytes": 2873065472,
"path": "models/NMRPeak/data/NMRexp/lmdb_dataset/train.lmdb",
"rows": 920796
},
"val": {
"bytes": 150323200,
"path": "models/NMRPeak/data/NMRexp/lmdb_dataset/valid.lmdb",
"rows": 48463
}
},
"source_to_canonical_matches": {
"both_modality_usable_records": true,
"c_max_peaks": true,
"c_no_peak_records": true,
"c_total_peaks": true,
"h_max_peaks": true,
"h_no_peak_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": {
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"c_max_peaks": 55,
"c_no_peak_records": 157502,
"c_total_peaks": 13892997,
"h_max_peaks": 28,
"h_no_peak_records": 135202,
"h_total_peaks": 7917250,
"j_empty_peaks": 4439417,
"j_nonempty_peaks": 3477833,
"j_null_peaks": 0,
"rows": 1076955,
"zero_integration_peaks": 0
},
"split_consistency": {
"all_count": 1076955,
"all_equals_split_union": true,
"extra_in_all_count": 0,
"missing_from_all_count": 0,
"split_counts": {
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"train": 920796,
"val": 48463
},
"split_overlap_count": 0
}
}