| { |
| "dataset": "nmrgym", |
| "input": "/mnt/filesystem-test/nmr/datasets/nmrgym/all.parquet", |
| "mode": "canonical", |
| "models": { |
| "nmrpeak": { |
| "accepted_records": 0, |
| "issue_occurrence_counts": { |
| "invalid_integration": 4350707, |
| "missing_j_values": 4350707, |
| "missing_multiplicity": 4350707, |
| "missing_shift_range": 4350707 |
| }, |
| "record_issue_code_counts": { |
| "invalid_integration": 269999, |
| "missing_j_values": 269999, |
| "missing_multiplicity": 269999, |
| "missing_shift_range": 269999 |
| }, |
| "rejected_records": 269999 |
| }, |
| "nmrsolver": { |
| "accepted_records": 0, |
| "issue_occurrence_counts": { |
| "missing_proton_expansion": 4350707 |
| }, |
| "record_issue_code_counts": { |
| "missing_proton_expansion": 269999 |
| }, |
| "rejected_records": 269999 |
| }, |
| "nmrtrans": { |
| "accepted_records": 0, |
| "issue_occurrence_counts": { |
| "missing_integration": 4350707, |
| "missing_j_values": 4350707, |
| "missing_multiplicity": 4350707, |
| "missing_peak_width": 4350707, |
| "too_many_c_peaks": 294, |
| "too_many_h_peaks": 1167 |
| }, |
| "record_issue_code_counts": { |
| "missing_integration": 269999, |
| "missing_j_values": 269999, |
| "missing_multiplicity": 269999, |
| "missing_peak_width": 269999, |
| "too_many_c_peaks": 294, |
| "too_many_h_peaks": 1167 |
| }, |
| "rejected_records": 269999 |
| }, |
| "ultranmr": { |
| "accepted_records": 0, |
| "issue_occurrence_counts": { |
| "missing_proton_expansion": 4350707 |
| }, |
| "record_issue_code_counts": { |
| "missing_proton_expansion": 269999 |
| }, |
| "rejected_records": 269999 |
| } |
| }, |
| "rows": 269999, |
| "scope": "processor field validation; NMRPeak sequence length is checked later during collation" |
| } |
|
|
