{
 "about": {
  "method": "inhibition-model-comparison",
  "origin": "Original synthetic rates from known parameters with recorded additive noise vectors (NumPy default_rng seeds named per case); no published dataset",
  "ruling": "CSO memo of 11 October 2026, item 5 (docs/board/memos/2026-10-11-cso-assay-depth-stage.md); roadmap A5",
  "fitMethod": "inhibition_global.py's method, as published in 0.5.0 inhibition-global-v2.json, repeated in this script",
  "aicc": "n ln(RSS/n) + 2K + 2K(K + 1)/(n - K - 1), K = parameters + 1; dAicc against the lowest among the estimated fits",
  "fTest": "each one-constant model within mixed: F = (RSS_r - RSS_mixed)/(RSS_mixed/(n - 4)), F(1, n - 4); competitive and uncompetitive at a boundary of mixed (approximate)",
  "zeroResidual": "the comparison is withheld when any estimated fit's RSS is at most 1e-20 times the rates' sum of squares",
  "wording": "lowest AICc among the fitted models on these data; a difference under 2 does not discriminate",
  "tolerances": {
   "statuses, refusals, the named level, the parameters at the box, the ranking and the outside list": "exact",
   "vmax, km, ki and kiPrime": "within 1e-5 relative",
   "rss": "within 1e-6 relative",
   "aicc and dAicc": "within 1e-6 absolute",
   "F": "within 1e-5 relative or 1e-8 absolute",
   "p": "within 1e-4 relative or 1e-10 absolute",
   "k, n and degrees of freedom": "exact"
  },
  "recordedOn": "2026-10-12",
  "script": "pipeline/assay-analyser/oracles/inhibition_compare.py",
  "scriptSha256": "e4379f28af0a8500cfc5b23d0f75f5b9bb0e434a59d7b6ca376defb506e8062e",
  "helper": {
   "script": "pipeline/assay-analyser/oracles/stage_a_oracle.py",
   "sha256": "492d85ca2fa6750db80b1c64214fd4a0b13cd4c588267244f6262c504c73e3e8"
  },
  "environment": {
   "image": "ghcr.io/biotechmat/drybench/oracle-env:11b8a5e4456df7eb@sha256:7e69891ca1d9f24838660e0a9887bdb654ce7771d2f2ac7e7275e9b1eb3b6a09",
   "r": "R version 4.4.3 (2025-02-28)",
   "packages": {
    "jsonlite": "2.0.0"
   },
   "python": "3.11.15",
   "numpy": "2.0.2",
   "scipy": "1.13.1",
   "recordedOn": "2026-10-12",
   "cpu": "AMD EPYC 7763 64-Core Processor",
   "cpuClass": "x86-64-v3",
   "simd": [
    "SSSE3",
    "SSE41",
    "POPCNT",
    "SSE42",
    "AVX",
    "F16C",
    "FMA3",
    "AVX2"
   ],
   "openblasCore": "Haswell",
   "threads": 1
  },
  "crossCheck": {
   "tool": "R stats::nls, AIC and anova",
   "version": "R version 4.4.3 (2025-02-28)",
   "script": "pipeline/assay-analyser/oracles/r/inhibition_compare_nls.R",
   "scriptSha256": "37420bd75549425c44a4bb20c8f3dc3fdc68c8e158446ded4323007ea3c6459d",
   "ran": true,
   "settings": "nls on every estimated fit from the SciPy estimates (port algorithm off; the default Gauss-Newton), the same rows; AIC(nls) plus 2K(K + 1)/(n - K - 1); anova(reduced, mixed) for the three nested pairs where both are estimated",
   "tolerances": {
    "parameters": "1e-5 relative",
    "rss": "1e-6 relative",
    "dAicc": "1e-6 absolute",
    "F": "1e-5 relative or 1e-8 absolute",
    "p": "1e-4 relative or 1e-10 absolute"
   },
   "cases": 6,
   "agreeing": 6,
   "result": [
    {
     "case": "competitive-noisy",
     "agrees": true,
     "differences": {
      "competitive": {
       "parameters": 1.3662035755758165e-15,
       "rss": 1.1135737193828955e-16
      },
      "uncompetitive": {
       "parameters": 1.7182610488879627e-15,
       "rss": 3.570260434892647e-15
      },
      "noncompetitive": {
       "parameters": 1.8610669910132163e-15,
       "rss": 1.382733898310993e-16
      },
      "mixed": {
       "parameters": 1.3424193519955058e-15,
       "rss": 3.405528286613324e-16
      },
      "dAicc": 7.105427357601002e-14,
      "F competitive": {
       "F": 4.884981308350689e-15,
       "p": 6.106226635438361e-16
      },
      "F uncompetitive": {
       "F": 4.547473508864641e-13,
       "p": 1.0159413866354924e-44
      },
      "F noncompetitive": {
       "F": 2.8421709430404007e-13,
       "p": 1.6456920911512025e-37
      }
     },
     "notes": []
    },
    {
     "case": "uncompetitive-noisy",
     "agrees": true,
     "differences": {
      "competitive": {
       "parameters": 2.9936793315062647e-15,
       "rss": 3.9370395992868874e-16
      },
      "uncompetitive": {
       "parameters": 6.757283726312701e-16,
       "rss": 1.6897935763714804e-15
      },
      "noncompetitive": {
       "parameters": 5.979736707868077e-16,
       "rss": 1.305123149688943e-16
      },
      "mixed": {
       "parameters": 8.279527440052195e-16,
       "rss": 3.897737645500144e-15
      },
      "dAicc": 3.694822225952521e-13,
      "F competitive": {
       "F": 4.774847184307873e-12,
       "p": 1.6313261169996311e-55
      },
      "F uncompetitive": {
       "F": 1.509903313490213e-14,
       "p": 1.8041124150158794e-16
      },
      "F noncompetitive": {
       "F": 2.2737367544323206e-13,
       "p": 5.679798517591285e-29
      }
     },
     "notes": []
    },
    {
     "case": "noncompetitive-noisy",
     "agrees": true,
     "differences": {
      "competitive": {
       "parameters": 1.0858108024092602e-08,
       "rss": 2.3561401016021217e-15
      },
      "uncompetitive": {
       "parameters": 1.1506036203149558e-15,
       "rss": 7.111467814882768e-16
      },
      "noncompetitive": {
       "parameters": 4.587366236066738e-15,
       "rss": 2.4684086023543377e-15
      },
      "mixed": {
       "parameters": 3.3625697702266e-15,
       "rss": 2.861221986657041e-15
      },
      "dAicc": 3.979039320256561e-13,
      "F competitive": {
       "F": 1.1368683772161603e-13,
       "p": 2.565854121688508e-49
      },
      "F uncompetitive": {
       "F": 1.1368683772161603e-13,
       "p": 1.6550960459577808e-35
      },
      "F noncompetitive": {
       "F": 1.942890293094024e-16,
       "p": 2.6645352591003757e-15
      }
     },
     "notes": []
    },
    {
     "case": "mixed-noisy",
     "agrees": true,
     "differences": {
      "competitive": {
       "parameters": 1.9591809372641557e-15,
       "rss": 0.0
      },
      "uncompetitive": {
       "parameters": 2.680223845924836e-15,
       "rss": 4.2990530384366764e-16
      },
      "noncompetitive": {
       "parameters": 1.889381951607621e-15,
       "rss": 5.772011883428091e-16
      },
      "mixed": {
       "parameters": 1.2302082049377203e-15,
       "rss": 1.311965137228732e-15
      },
      "dAicc": 5.684341886080802e-14,
      "F competitive": {
       "F": 5.684341886080802e-14,
       "p": 1.4992648602523627e-24
      },
      "F uncompetitive": {
       "F": 2.2737367544323206e-13,
       "p": 4.203895392974451e-44
      },
      "F noncompetitive": {
       "F": 2.2737367544323206e-13,
       "p": 6.548161810916602e-33
      }
     },
     "notes": []
    },
    {
     "case": "ambiguous-near-noncompetitive",
     "agrees": true,
     "differences": {
      "competitive": {
       "parameters": 1.5935604010541445e-15,
       "rss": 2.32226606416494e-15
      },
      "uncompetitive": {
       "parameters": 3.143348324253807e-15,
       "rss": 0.0
      },
      "noncompetitive": {
       "parameters": 3.8891193179755965e-15,
       "rss": 1.1509711722987782e-15
      },
      "mixed": {
       "parameters": 2.737060689160995e-15,
       "rss": 9.119415413830661e-16
      },
      "dAicc": 9.947598300641403e-14,
      "F competitive": {
       "F": 2.8421709430404007e-13,
       "p": 3.611118645726067e-35
      },
      "F uncompetitive": {
       "F": 2.842170943040401e-14,
       "p": 1.2116903504194741e-26
      },
      "F noncompetitive": {
       "F": 2.220446049250313e-16,
       "p": 8.326672684688674e-16
      }
     },
     "notes": []
    },
    {
     "case": "competitive-mixed-at-bound",
     "agrees": true,
     "differences": {
      "competitive": {
       "parameters": 1.7883472001162936e-15,
       "rss": 8.069091281436644e-16
      },
      "uncompetitive": {
       "parameters": 1.8563352562618806e-15,
       "rss": 0.0
      },
      "noncompetitive": {
       "parameters": 2.225724522625604e-15,
       "rss": 2.803431432506955e-16
      },
      "dAicc": 4.547473508864641e-13
     },
     "notes": []
    }
   ]
  }
 },
 "oracle": {
  "engine": "scipy.optimize.least_squares",
  "method": "trf with bounds, log parameters, nine starts, lowest RSS; AICc and F by hand, p from scipy.stats.f.sf"
 },
 "cases": [
  {
   "name": "competitive-noisy",
   "about": "Competitive rates (Vmax 10, Km 2, Ki 5) in duplicate at 7 S x {0, 2, 5, 10} uM I, additive noise SD 0.15 (seed 20261013)",
   "substrate": [
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   ],
   "inhibitor": [
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   ],
   "rate": [
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    6.939422061571546,
    7.301661411014962
   ],
   "substrateUnit": "µM",
   "inhibitorUnit": "µM",
   "rateUnit": "µM/min",
   "expected": {
    "status": "compared",
    "n": 56,
    "models": {
     "competitive": {
      "fit": {
       "status": "estimated",
       "parameters": {
        "vmax": 9.910265821237505,
        "km": 1.9503208063098127,
        "ki": 5.101371648962758
       },
       "rss": 0.9969910436108389,
       "n": 56,
       "df": 53
      },
      "aicc": -216.80413653006855,
      "k": 4,
      "dAicc": 0.0
     },
     "uncompetitive": {
      "fit": {
       "status": "estimated",
       "parameters": {
        "vmax": 11.37191886299742,
        "km": 3.436229904764208,
        "kiPrime": 18.48509672677832
       },
       "rss": 12.438566260038556,
       "n": 56,
       "df": 53
      },
      "aicc": -75.47047857309083,
      "k": 4,
      "dAicc": 141.33365795697773
     },
     "noncompetitive": {
      "fit": {
       "status": "estimated",
       "parameters": {
        "vmax": 11.093704797543785,
        "km": 2.950714108166952,
        "ki": 22.907592446414657
       },
       "rss": 6.423350297443591,
       "n": 56,
       "df": 53
      },
      "aicc": -112.47875020865838,
      "k": 4,
      "dAicc": 104.32538632141016
     },
     "mixed": {
      "fit": {
       "status": "estimated",
       "parameters": {
        "vmax": 9.968980496610682,
        "km": 1.9848754825677573,
        "ki": 5.337376061959192,
        "kiPrime": 412.0387909888052
       },
       "rss": 0.9780183259577917,
       "n": 56,
       "df": 52
      },
      "aicc": -215.46439945295305,
      "k": 5,
      "dAicc": 1.339737077115501
     }
    },
    "ranking": [
     "competitive",
     "mixed",
     "noncompetitive",
     "uncompetitive"
    ],
    "outside": [],
    "fTests": {
     "competitive": {
      "F": 1.0087554514812151,
      "p": 0.3198521394938056,
      "df1": 1,
      "df2": 52,
      "boundary": true
     },
     "uncompetitive": {
      "F": 609.3428688962206,
      "p": 2.2077132665423403e-30,
      "df1": 1,
      "df2": 52,
      "boundary": true
     },
     "noncompetitive": {
      "F": 289.5214281797433,
      "p": 6.660488074719186e-23,
      "df1": 1,
      "df2": 52,
      "boundary": false
     }
    }
   },
   "generatedFrom": {
    "model": "competitive",
    "ki": 5.0
   }
  },
  {
   "name": "uncompetitive-noisy",
   "about": "Uncompetitive rates (Ki' 5), noise SD 0.15 (seed 20261014)",
   "substrate": [
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   "inhibitor": [
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   "rate": [
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   ],
   "substrateUnit": "µM",
   "inhibitorUnit": "µM",
   "rateUnit": "µM/min",
   "expected": {
    "status": "compared",
    "n": 56,
    "models": {
     "competitive": {
      "fit": {
       "status": "estimated",
       "parameters": {
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        "km": 0.980044286739205,
        "ki": 1.5575939127319653
       },
       "rss": 36.09528011294579,
       "n": 56,
       "df": 53
      },
      "aicc": -15.810302683832486,
      "k": 4,
      "dAicc": 193.9761132991189
     },
     "uncompetitive": {
      "fit": {
       "status": "estimated",
       "parameters": {
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        "km": 1.9576301528700288,
        "kiPrime": 5.257606196061176
       },
       "rss": 1.182630513140238,
       "n": 56,
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}