{
  "dataset_info": {
    "filename": "S1 Table.csv",
    "file_format": "CSV (Comma-Separated Values)",
    "total_rows": 275,
    "total_columns": 31,
    "column_names": [
      "Patient",
      "Batch",
      "Batch2",
      "Ageatdiagnosis",
      "Sex",
      "F.Female.M.Male",
      "diagnosis",
      "DIAGNOSIStext",
      "Alanine",
      "Arginine",
      "Asparagine",
      "AsparticAcid",
      "Citrulline",
      "Cystine",
      "Glutamicacid",
      "Glutamine",
      "Glycine",
      "Histidine",
      "Isoleucine",
      "Leucine",
      "Lysine",
      "Methionine",
      "Ornithine",
      "Phenylalanine",
      "Proline",
      "Serine",
      "Taurine",
      "Threonine",
      "Tryptophane",
      "Tyrosine",
      "Valine"
    ]
  },
  "participants": {
    "total_independent_participants": 275,
    "is_wide_format_patient_by_feature": true,
    "analysis_ready_matrix_available": true,
    "note": "Each row represents one unique patient. Dataset is already in patient-by-feature (wide) format."
  },
  "blood_variables": {
    "count": 23,
    "list": [
      "Alanine",
      "Arginine",
      "Asparagine",
      "AsparticAcid",
      "Citrulline",
      "Cystine",
      "Glutamicacid",
      "Glutamine",
      "Glycine",
      "Histidine",
      "Isoleucine",
      "Leucine",
      "Lysine",
      "Methionine",
      "Ornithine",
      "Phenylalanine",
      "Proline",
      "Serine",
      "Taurine",
      "Threonine",
      "Tryptophane",
      "Tyrosine",
      "Valine"
    ],
    "unit": "\u00b5mol/L (presumed plasma amino acid concentrations)",
    "description": "23 plasma amino acids measured in \u00b5mol/L"
  },
  "diagnostic_labels": {
    "text_labels": {
      "CASE": 141,
      "CONTROL": 129,
      "TDC": 3,
      "AutoIm": 2
    },
    "numeric_codes": {
      "2": 141,
      "1": 129,
      "#NULL!": 5
    },
    "label_mapping": {
      "1": "CONTROL",
      "2": "CASE (active celiac disease)",
      "#NULL!": "Other/unlabelled (AutoIm=autoimmune disorder, TDC=typically developing children)"
    },
    "other_labels": {
      "AutoIm": 2,
      "TDC": 3
    }
  },
  "demographics": {
    "sex_distribution": {
      "F (Female)": 175,
      "M (Male)": 100,
      "missing_sex": 0
    },
    "age_at_diagnosis": {
      "min": 1.4,
      "max": 18.3,
      "mean": 9.398545454545454,
      "median": 9.6,
      "std": 4.979131420377805
    }
  },
  "batch_info": {
    "batch_column": {
      "1": 37,
      "2": 42,
      "3": 43,
      "4": 41,
      "5": 32,
      "6": 2,
      "7": 34,
      "8": 44
    },
    "batch2_column": {
      "1": 174,
      "2": 101
    },
    "note": "Batch indicates analytical measurement batch. Batch2 distinguishes two measurement sub-batches."
  },
  "missing_data": {
    "null_string_counts": {
      "diagnosis": 5,
      "F.Female.M.Male": 0
    },
    "nan_counts": {},
    "amino_acid_missing": {
      "Alanine": 0,
      "Arginine": 0,
      "Asparagine": 0,
      "AsparticAcid": 0,
      "Citrulline": 0,
      "Cystine": 0,
      "Glutamicacid": 0,
      "Glutamine": 0,
      "Glycine": 0,
      "Histidine": 0,
      "Isoleucine": 0,
      "Leucine": 0,
      "Lysine": 0,
      "Methionine": 0,
      "Ornithine": 0,
      "Phenylalanine": 0,
      "Proline": 0,
      "Serine": 0,
      "Taurine": 0,
      "Threonine": 0,
      "Tryptophane": 0,
      "Tyrosine": 0,
      "Valine": 0
    },
    "total_missing_amino_acid_values": 0,
    "overall_missing_pct": 0.0
  },
  "repeated_measurements": {
    "has_repeated_measurements": false,
    "note": "Each Patient ID appears exactly once. No longitudinal/repeated measurements detected.",
    "max_observations_per_patient": 1
  },
  "amino_acid_statistics": {
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        "median": 258.6,
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        "median": 288.1,
        "n": 129
      }
    },
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        "missing": 0
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      "CONTROL": {
        "mean": 40.07674418604651,
        "std": 16.42915430543704,
        "median": 38.8,
        "n": 129
      }
    },
    "Asparagine": {
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        "mean": 50.18327272727273,
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        "median": 48.5,
        "min": 25.3,
        "max": 126.7,
        "n": 275,
        "missing": 0
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      "CASE": {
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        "median": 46.8,
        "n": 141
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      "CONTROL": {
        "mean": 52.02713178294574,
        "std": 9.339003827513407,
        "median": 49.9,
        "n": 129
      }
    },
    "AsparticAcid": {
      "overall": {
        "mean": 7.716727272727272,
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        "median": 6.9,
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        "max": 46.2,
        "n": 275,
        "missing": 0
      },
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        "median": 7.0,
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    },
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        "std": 37.76170999665226,
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        "min": 70.4,
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        "missing": 0
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      },
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    },
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        "missing": 0
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        "median": 90.4,
        "n": 129
      }
    },
    "Glutamine": {
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        "mean": 510.6432727272727,
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        "min": 140.7,
        "max": 865.1,
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        "missing": 0
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      "CASE": {
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      },
      "CONTROL": {
        "mean": 525.1263565891472,
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        "median": 527.3,
        "n": 129
      }
    },
    "Glycine": {
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        "median": 201.4,
        "min": 106.6,
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        "missing": 0
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      "CONTROL": {
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        "std": 46.388974510686275,
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    },
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        "mean": 101.75090909090909,
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        "min": 69.7,
        "max": 223.6,
        "n": 275,
        "missing": 0
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      "CASE": {
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        "median": 98.2,
        "n": 141
      },
      "CONTROL": {
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    },
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        "std": 13.959559327421227,
        "median": 51.7,
        "min": 31.4,
        "max": 119.1,
        "n": 275,
        "missing": 0
      },
      "CASE": {
        "mean": 49.721985815602835,
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        "median": 47.6,
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      },
      "CONTROL": {
        "mean": 58.37364341085272,
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        "median": 57.6,
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      }
    },
    "Leucine": {
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        "std": 26.469180175014092,
        "median": 118.2,
        "min": 68.0,
        "max": 245.8,
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        "missing": 0
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      "CASE": {
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      },
      "CONTROL": {
        "mean": 127.39922480620154,
        "std": 24.856979955726317,
        "median": 128.4,
        "n": 129
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    },
    "Lysine": {
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        "std": 21.37160699155447,
        "median": 115.7,
        "min": 66.0,
        "max": 266.0,
        "n": 275,
        "missing": 0
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      "CASE": {
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      },
      "CONTROL": {
        "mean": 121.7062015503876,
        "std": 18.60501340338969,
        "median": 122.4,
        "n": 129
      }
    },
    "Methionine": {
      "overall": {
        "mean": 15.617818181818183,
        "std": 3.841543319593123,
        "median": 15.2,
        "min": 6.3,
        "max": 42.1,
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        "missing": 0
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      "CASE": {
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      },
      "CONTROL": {
        "mean": 16.112403100775193,
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        "median": 16.2,
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    },
    "Ornithine": {
      "overall": {
        "mean": 73.09709090909091,
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        "median": 70.4,
        "min": 29.7,
        "max": 182.6,
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        "missing": 0
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      "CASE": {
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        "median": 65.5,
        "n": 141
      },
      "CONTROL": {
        "mean": 74.87054263565891,
        "std": 21.355251853689204,
        "median": 72.5,
        "n": 129
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    },
    "Phenylalanine": {
      "overall": {
        "mean": 44.45709090909091,
        "std": 8.333389368535338,
        "median": 43.0,
        "min": 28.9,
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        "missing": 0
      },
      "CASE": {
        "mean": 42.88510638297873,
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        "median": 41.8,
        "n": 141
      },
      "CONTROL": {
        "mean": 46.31395348837209,
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    },
    "Proline": {
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      "CASE": {
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      "CONTROL": {
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    },
    "Serine": {
      "overall": {
        "mean": 133.38872727272724,
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      "CONTROL": {
        "mean": 136.43798449612405,
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        "n": 129
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    },
    "Taurine": {
      "overall": {
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        "median": 69.8,
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      "CASE": {
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      "CONTROL": {
        "mean": 79.2031007751938,
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    },
    "Threonine": {
      "overall": {
        "mean": 87.85563636363636,
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        "median": 85.6,
        "min": 39.7,
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      "CASE": {
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      "CONTROL": {
        "mean": 93.28837209302326,
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    },
    "Tryptophane": {
      "overall": {
        "mean": 43.37309090909091,
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        "median": 42.7,
        "min": 12.2,
        "max": 86.4,
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        "missing": 0
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      "CASE": {
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      "CONTROL": {
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    },
    "Tyrosine": {
      "overall": {
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        "median": 58.8,
        "min": 29.8,
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        "missing": 0
      },
      "CASE": {
        "mean": 59.68936170212765,
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      "CONTROL": {
        "mean": 61.88604651162791,
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    },
    "Valine": {
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        "median": 184.5,
        "min": 120.1,
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        "missing": 0
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      "CASE": {
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      "CONTROL": {
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    }
  },
  "group_comparison_CASE_vs_CONTROL": {
    "test_used": "Mann-Whitney U (two-sided)",
    "correction": "Benjamini-Hochberg FDR",
    "results": {
      "Alanine": {
        "U_statistic": 7314.5,
        "p_value": 0.00549444583530285,
        "significant_fdr": true,
        "p_adj_fdr": 0.010531021184330462,
        "fold_change_median": 0.8976049982644915
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      "Arginine": {
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        "p_value": 0.0021980164378113186,
        "significant_fdr": true,
        "p_adj_fdr": 0.0050554378069660325,
        "fold_change_median": 0.8505154639175259
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      "Asparagine": {
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        "p_value": 0.0002532811663320155,
        "significant_fdr": true,
        "p_adj_fdr": 0.0007281833532045446,
        "fold_change_median": 0.937875751503006
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      "AsparticAcid": {
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        "p_value": 0.9943972930617223,
        "significant_fdr": false,
        "p_adj_fdr": 0.9943972930617223,
        "fold_change_median": 0.9571428571428572
      },
      "Citrulline": {
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        "p_value": 2.1356046435824215e-06,
        "significant_fdr": true,
        "p_adj_fdr": 1.5632978006737308e-05,
        "fold_change_median": 0.8596620132255695
      },
      "Cystine": {
        "U_statistic": 9706.5,
        "p_value": 0.3400001664535366,
        "significant_fdr": false,
        "p_adj_fdr": 0.41157914886480745,
        "fold_change_median": 1.135135135135135
      },
      "Glutamicacid": {
        "U_statistic": 9637.0,
        "p_value": 0.3977352869901172,
        "significant_fdr": false,
        "p_adj_fdr": 0.4573955800386348,
        "fold_change_median": 1.0176991150442478
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      "Glutamine": {
        "U_statistic": 7062.5,
        "p_value": 0.001525917019164522,
        "significant_fdr": true,
        "p_adj_fdr": 0.0038995657156426673,
        "fold_change_median": 0.9395031291484923
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      "Glycine": {
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        "p_value": 0.9502353664751406,
        "significant_fdr": false,
        "p_adj_fdr": 0.9934278831331015,
        "fold_change_median": 1.0251762336354482
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      "Histidine": {
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        "p_value": 0.04840643870351194,
        "significant_fdr": false,
        "p_adj_fdr": 0.06958425563629841,
        "fold_change_median": 0.9665354330708662
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      "Isoleucine": {
        "U_statistic": 5501.5,
        "p_value": 2.0776315530300297e-08,
        "significant_fdr": true,
        "p_adj_fdr": 4.778552571969068e-07,
        "fold_change_median": 0.8263888888888888
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      "Leucine": {
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        "p_value": 2.7187787837804014e-06,
        "significant_fdr": true,
        "p_adj_fdr": 1.5632978006737308e-05,
        "fold_change_median": 0.866822429906542
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      "Lysine": {
        "U_statistic": 5876.5,
        "p_value": 5.160898209446719e-07,
        "significant_fdr": true,
        "p_adj_fdr": 5.935032940863727e-06,
        "fold_change_median": 0.8962418300653595
      },
      "Methionine": {
        "U_statistic": 7171.0,
        "p_value": 0.002693558841754336,
        "significant_fdr": true,
        "p_adj_fdr": 0.005631986669122702,
        "fold_change_median": 0.9135802469135803
      },
      "Ornithine": {
        "U_statistic": 7809.0,
        "p_value": 0.044966388763745854,
        "significant_fdr": false,
        "p_adj_fdr": 0.06894846277107698,
        "fold_change_median": 0.903448275862069
      },
      "Phenylalanine": {
        "U_statistic": 6307.0,
        "p_value": 1.3695845334492233e-05,
        "significant_fdr": true,
        "p_adj_fdr": 6.300088853866428e-05,
        "fold_change_median": 0.9247787610619468
      },
      "Proline": {
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}