{
 "method": "Replicate-T mixing guard: max within-T V spread vs median adjacent-T step; flag if spread > max(2x median step, 1% absolute floor)",
 "floor": 0.01,
 "controls": {
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   "spread_at_T": 120.0,
   "median_step": 0.00305,
   "n_temps": 4,
   "n_rep_temps": 4,
   "n_entries": 9,
   "flagged": true,
   "spreads_by_T": {
    "100.0": 0.01232,
    "120.0": 0.01284,
    "130.0": 0.00109,
    "140.0": 0.01007
   },
   "max_spread_n_studies": 1
  },
  "P2_bathf6_pressure_ladder": {
   "max_spread": 0.05564,
   "spread_at_T": 293.0,
   "median_step": 0.00249,
   "n_temps": 4,
   "n_rep_temps": 4,
   "n_entries": 17,
   "flagged": true,
   "spreads_by_T": {
    "150.0": 0.0,
    "200.0": 0.0,
    "250.0": 0.0,
    "293.0": 0.05564
   },
   "max_spread_n_studies": 1
  },
  "P3_c22h26n2o3_cross_study": {
   "max_spread": 0.03051,
   "spread_at_T": 295.0,
   "median_step": 0.31677,
   "n_temps": 3,
   "n_rep_temps": 1,
   "n_entries": 5,
   "flagged": false,
   "spreads_by_T": {
    "295.0": 0.03051
   },
   "max_spread_n_studies": 3,
   "group": "C22H26N2O3/sg14",
   "n_studies": 5
  },
  "N1_ferrierite": {
   "max_spread": 0.00185,
   "spread_at_T": 293.0,
   "median_step": 0.00102,
   "n_temps": 8,
   "n_rep_temps": 1,
   "n_entries": 9,
   "flagged": false,
   "spreads_by_T": {
    "293.0": 0.00185
   },
   "max_spread_n_studies": 1
  },
  "N2_linbo3": {
   "pass": true,
   "reason": "no replicate-temperature cluster (clean series)"
  }
 },
 "n_series_evaluated": 3887,
 "n_flagged": 1621,
 "n_flagged_hfree": 17,
 "flagged_hfree_top40": [
  {
   "key": "BaCo2GdO5.39|sg123",
   "max_spread": 1.60041,
   "spread_at_T": 294.0,
   "median_step": 0.00074,
   "n_temps": 8,
   "n_rep_temps": 8,
   "n_entries": 18,
   "flagged": true,
   "spreads_by_T": {
    "294.0": 1.60041,
    "322.0": 1.5999,
    "327.0": 1.59986,
    "353.0": 1.5999,
    "358.0": 1.5999,
    "368.0": 1.59994,
    "384.0": 1.59991,
    "394.0": 1.59995
   },
   "max_spread_n_studies": 1,
   "journal": [
    "Chemistry of Materials"
   ]
  },
  {
   "key": "C6CdN6Pt|sg225",
   "max_spread": 0.22084,
   "spread_at_T": 25.0,
   "median_step": 0.00141,
   "n_temps": 7,
   "n_rep_temps": 1,
   "n_entries": 8,
   "flagged": true,
   "spreads_by_T": {
    "25.0": 0.22084
   },
   "max_spread_n_studies": 2,
   "journal": [
    "Journal of Chemical Education",
    "Journal of the American Chemical Society"
   ]
  },
  {
   "key": "As2O3|sg14",
   "max_spread": 0.45094,
   "spread_at_T": 293.0,
   "median_step": 0.00378,
   "n_temps": 12,
   "n_rep_temps": 2,
   "n_entries": 47,
   "flagged": true,
   "spreads_by_T": {
    "100.0": 0.07572,
    "293.0": 0.45094
   },
   "max_spread_n_studies": 2,
   "journal": [
    "CrystEngComm",
    "Crystal Growth & Design"
   ]
  },
  {
   "key": "F2NNaO4S2|sg14",
   "max_spread": 0.67322,
   "spread_at_T": 298.0,
   "median_step": 0.02274,
   "n_temps": 2,
   "n_rep_temps": 2,
   "n_entries": 4,
   "flagged": true,
   "spreads_by_T": {
    "113.0": 0.67087,
    "298.0": 0.67322
   },
   "max_spread_n_studies": 1,
   "journal": [
    "Inorganic Chemistry"
   ]
  },
  {
   "key": "BaF6Th|sg194",
   "max_spread": 0.05564,
   "spread_at_T": 293.0,
   "median_step": 0.00249,
   "n_temps": 4,
   "n_rep_temps": 4,
   "n_entries": 17,
   "flagged": true,
   "spreads_by_T": {
    "150.0": 0.0,
    "200.0": 0.0,
    "250.0": 0.0,
    "293.0": 0.05564
   },
   "max_spread_n_studies": 1,
   "journal": [
    "Dalton transactions (Cambridge, England : 2003)"
   ]
  },
  {
   "key": "C2Cl6|sg62",
   "max_spread": 0.24249,
   "spread_at_T": 293.0,
   "median_step": 0.01251,
   "n_temps": 6,
   "n_rep_temps": 1,
   "n_entries": 10,
   "flagged": true,
   "spreads_by_T": {
    "293.0": 0.24249
   },
   "max_spread_n_studies": 2,
   "journal": [
    "CrystEngComm",
    "Crystal Growth & Design"
   ]
  },
  {
   "key": "CCl2S|sg176",
   "max_spread": 0.04655,
   "spread_at_T": 100.0,
   "median_step": 0.00365,
   "n_temps": 22,
   "n_rep_temps": 1,
   "n_entries": 23,
   "flagged": true,
   "spreads_by_T": {
    "100.0": 0.04655
   },
   "max_spread_n_studies": 1,
   "journal": [
    "Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials"
   ]
  },
  {
   "key": "GdO14P5|sg14",
   "max_spread": 0.01664,
   "spread_at_T": 440.0,
   "median_step": 0.00138,
   "n_temps": 38,
   "n_rep_temps": 19,
   "n_entries": 57,
   "flagged": true,
   "spreads_by_T": {
    "130.0": 0.0001,
    "140.0": 0.0,
    "300.0": 0.00119,
    "320.0": 0.00736,
    "340.0": 0.00557,
    "350.0": 0.00387,
    "360.0": 0.00643,
    "370.0": 0.0079,
    "380.0": 0.00495,
    "390.0": 0.0083,
    "400.0": 0.00663,
    "410.0": 0.01083,
    "420.0": 0.00404,
    "430.0": 0.00513,
    "440.0": 0.01664,
    "450.0": 0.00593,
    "460.0": 0.01298,
    "470.0": 0.00722,
    "480.0": 0.0147
   },
   "max_spread_n_studies": 1,
   "journal": [
    "Journal of Solid State Chemistry"
   ]
  },
  {
   "key": "GdO14P5|sg53",
   "max_spread": 0.01295,
   "spread_at_T": 440.0,
   "median_step": 0.00148,
   "n_temps": 15,
   "n_rep_temps": 15,
   "n_entries": 30,
   "flagged": true,
   "spreads_by_T": {
    "340.0": 0.00169,
    "350.0": 0.00387,
    "360.0": 0.00643,
    "370.0": 0.0079,
    "380.0": 0.00495,
    "390.0": 0.0083,
    "400.0": 0.00663,
    "410.0": 0.01083,
    "420.0": 0.00404,
    "430.0": 0.00513,
    "440.0": 0.01295,
    "450.0": 0.00752,
    "460.0": 0.00316,
    "470.0": 0.00941,
    "480.0": 0.00494
   },
   "max_spread_n_studies": 1,
   "journal": [
    "Journal of Solid State Chemistry"
   ]
  },
  {
   "key": "BiFeO3|sg161",
   "max_spread": 0.01913,
   "spread_at_T": 10.0,
   "median_step": 0.0027,
   "n_temps": 11,
   "n_rep_temps": 2,
   "n_entries": 14,
   "flagged": true,
   "spreads_by_T": {
    "10.0": 0.01913,
    "295.0": 0.00848
   },
   "max_spread_n_studies": 1,
   "journal": [
    "Acta Crystallographica Section B",
    "Crystal Growth & Design",
    "Inorganic Chemistry"
   ]
  },
  {
   "key": "AgC4N3|sg46",
   "max_spread": 0.04018,
   "spread_at_T": 293.0,
   "median_step": 0.0075,
   "n_temps": 5,
   "n_rep_temps": 4,
   "n_entries": 9,
   "flagged": true,
   "spreads_by_T": {
    "100.0": 0.00053,
    "150.0": 0.00319,
    "200.0": 0.00014,
    "293.0": 0.04018
   },
   "max_spread_n_studies": 1,
   "journal": [
    "Chemical communications (Cambridge, England)"
   ]
  },
  {
   "key": "S2Sn|sg164",
   "max_spread": 0.24653,
   "spread_at_T": 294.05,
   "median_step": 0.06532,
   "n_temps": 2,
   "n_rep_temps": 1,
   "n_entries": 14,
   "flagged": true,
   "spreads_by_T": {
    "294.05": 0.24653
   },
   "max_spread_n_studies": 1,
   "journal": [
    "Dalton transactions (Cambridge, England : 2003)"
   ]
  },
  {
   "key": "LiMnO4Ti|sg227",
   "max_spread": 0.01673,
   "spread_at_T": 293.0,
   "median_step": 0.00578,
   "n_temps": 2,
   "n_rep_temps": 1,
   "n_entries": 5,
   "flagged": true,
   "spreads_by_T": {
    "293.0": 0.01673
   },
   "max_spread_n_studies": 1,
   "journal": [
    "Inorganic chemistry"
   ]
  },
  {
   "key": "C12O12Ru3|sg14",
   "max_spread": 0.29752,
   "spread_at_T": 293.0,
   "median_step": 0.11867,
   "n_temps": 2,
   "n_rep_temps": 2,
   "n_entries": 11,
   "flagged": true,
   "spreads_by_T": {
    "100.0": 0.00117,
    "293.0": 0.29752
   },
   "max_spread_n_studies": 1,
   "journal": [
    "Inorganic Chemistry",
    "The journal of physical chemistry. A"
   ]
  },
  {
   "key": "C10F18|sg2",
   "max_spread": 0.028,
   "spread_at_T": 100.0,
   "median_step": 0.01216,
   "n_temps": 4,
   "n_rep_temps": 2,
   "n_entries": 7,
   "flagged": true,
   "spreads_by_T": {
    "100.0": 0.028,
    "200.0": 0.00163
   },
   "max_spread_n_studies": 1,
   "journal": [
    "CrystEngComm"
   ]
  },
  {
   "key": "InO3Tb|sg185",
   "max_spread": 0.03429,
   "spread_at_T": 293.0,
   "median_step": 0.01494,
   "n_temps": 2,
   "n_rep_temps": 1,
   "n_entries": 21,
   "flagged": true,
   "spreads_by_T": {
    "293.0": 0.03429
   },
   "max_spread_n_studies": 1,
   "journal": [
    "Crystals",
    "Dalton transactions (Cambridge, England : 2003)"
   ]
  },
  {
   "key": "Bi2Ga4O9|sg55",
   "max_spread": 0.11317,
   "spread_at_T": 293.0,
   "median_step": 0.05598,
   "n_temps": 2,
   "n_rep_temps": 1,
   "n_entries": 6,
   "flagged": true,
   "spreads_by_T": {
    "293.0": 0.11317
   },
   "max_spread_n_studies": 1,
   "journal": [
    "Acta Crystallographica Section B",
    "Inorganic chemistry"
   ]
  }
 ]
}