{
 "about": "buffer-recipe 1.2.0: the 17 buffers the CSO's second addendum of 21 October 2026 adds, each with pK at 4, 25 and 37 °C, one recipe case and one outside-range refusal; carbonate still refused; one original case unchanged; the neighbouring pK values of each multi-step acid. Python decimal at 50 digits; numbers are 20-significant-digit strings.",
 "oracle": {
  "name": "Goldberg 2002 equation 12 and the CIAAW 2021 sum in Python decimal",
  "version": "Python 3.13.16 decimal, precision 50",
  "script": "pipeline/lab-calculators/buffer_recipe_reference_2.py",
  "scriptSha256": "5a57820504ef5d930fca562abbd74384068981f3fbea55c889979169b7951c0b",
  "command": "python3 pipeline/lab-calculators/buffer_recipe_reference_2.py",
  "reads": {
   "reference.py": "2ef834abbd17457dadfca0e0a32b4d8e8ae9f73ed3255fb794d799f3dddb55a2",
   "buffers_reference_2.py": "b6b9a51abbb955b7d27f075a3c26692ae382deb4bfc1af93ab61ae6768364c6a"
  }
 },
 "method": "buffer-recipe@1.2.0",
 "offered": [
  "tris",
  "hepes",
  "mops",
  "mes",
  "pipes",
  "phosphate-2",
  "tes",
  "imidazole",
  "ches",
  "taps",
  "glycine-2",
  "citrate-3",
  "acetate",
  "bicine",
  "tricine",
  "citrate-1",
  "citrate-2",
  "bis-tris",
  "glycylglycine-2",
  "borate",
  "ammonia",
  "ethanolamine",
  "triethanolamine",
  "bes",
  "ada-3",
  "caps",
  "capso",
  "dipso",
  "heppso",
  "tapso",
  "succinate-2",
  "maleate-2"
 ],
 "added": [
  "citrate-1",
  "citrate-2",
  "bis-tris",
  "glycylglycine-2",
  "borate",
  "ammonia",
  "ethanolamine",
  "triethanolamine",
  "bes",
  "ada-3",
  "caps",
  "capso",
  "dipso",
  "heppso",
  "tapso",
  "succinate-2",
  "maleate-2"
 ],
 "noStatedForm": [
  "ammonia",
  "borate"
 ],
 "uncheckedNeighbour": {
  "succinate-2": "succinate pK1 4.207 (section 8), within 2 units and not checked three ways"
 },
 "tolerance": "pK and setpoint within 1e-9 absolute, setpoint shown to 2 decimals equal; mass and formula weight relative 1e-9; refusals exact",
 "recordedOn": "2026-10-21",
 "count": 53,
 "refused": 23,
 "pk": [
  {
   "buffer": "citrate-1",
   "pKAt": {
    "4 °C": "3.2007305907050703107",
    "25 °C": "3.1280000000000000000",
    "37 °C": "3.1056699122907675607"
   }
  },
  {
   "buffer": "citrate-2",
   "pKAt": {
    "4 °C": "4.8160159751865662098",
    "25 °C": "4.7610000000000000000",
    "37 °C": "4.7530283742619129999"
   }
  },
  {
   "buffer": "bis-tris",
   "pKAt": {
    "4 °C": "6.8571400814222261478",
    "25 °C": "6.4840000000000000000",
    "37 °C": "6.2904119639619099842"
   }
  },
  {
   "buffer": "glycylglycine-2",
   "pKAt": {
    "4 °C": "8.8433964721784236999",
    "25 °C": "8.2650000000000000000",
    "37 °C": "7.9714629164327217138"
   }
  },
  {
   "buffer": "borate",
   "pKAt": {
    "4 °C": "9.4544536476361681137",
    "25 °C": "9.2370000000000000000",
    "37 °C": "9.1530915422972565742"
   }
  },
  {
   "buffer": "ammonia",
   "pKAt": {
    "4 °C": "9.9334666124523917296",
    "25 °C": "9.2450000000000000000",
    "37 °C": "8.8925450088879335038"
   }
  },
  {
   "buffer": "ethanolamine",
   "pKAt": {
    "4 °C": "10.164914172516149815",
    "25 °C": "9.4980000000000000000",
    "37 °C": "9.1545155810363290601"
   }
  },
  {
   "buffer": "triethanolamine",
   "pKAt": {
    "4 °C": "8.2008835158810256085",
    "25 °C": "7.7620000000000000000",
    "37 °C": "7.5322415754990577902"
   }
  },
  {
   "buffer": "bes",
   "pKAt": {
    "4 °C": "7.5091914907778452216",
    "25 °C": "7.1870000000000000000",
    "37 °C": "7.0227059228465320518"
   }
  },
  {
   "buffer": "ada-3",
   "pKAt": {
    "4 °C": "7.0269063522169939319",
    "25 °C": "6.8440000000000000000",
    "37 °C": "6.7668805471714559503"
   }
  },
  {
   "buffer": "caps",
   "pKAt": {
    "4 °C": "11.129363933919895992",
    "25 °C": "10.499000000000000000",
    "37 °C": "10.170674938115818855"
   }
  },
  {
   "buffer": "capso",
   "pKAt": {
    "4 °C": "10.441521329742909633",
    "25 °C": "9.8250000000000000000",
    "37 °C": "9.5078128020487979690"
   }
  },
  {
   "buffer": "dipso",
   "pKAt": {
    "4 °C": "7.9706270201933863801",
    "25 °C": "7.5760000000000000000",
    "37 °C": "7.3697445224640965243"
   }
  },
  {
   "buffer": "heppso",
   "pKAt": {
    "4 °C": "8.3498945692064803976",
    "25 °C": "8.0420000000000000000",
    "37 °C": "7.8794673842053633826"
   }
  },
  {
   "buffer": "tapso",
   "pKAt": {
    "4 °C": "8.1561834986928254456",
    "25 °C": "7.6350000000000000000",
    "37 °C": "7.3706774911344256012"
   }
  },
  {
   "buffer": "succinate-2",
   "pKAt": {
    "4 °C": "5.6603448818701030829",
    "25 °C": "5.6360000000000000000",
    "37 °C": "5.6480984639697235922"
   }
  },
  {
   "buffer": "maleate-2",
   "pKAt": {
    "4 °C": "6.2266379183217059134",
    "25 °C": "6.2700000000000000000",
    "37 °C": "6.2956461509725420849"
   }
  }
 ],
 "cases": [
  {
   "name": "citrate-1-recipe",
   "about": "citrate-1: 50 mM in 1 L for pH 3.1 at 25 °C, adjusted at 4 °C",
   "input": {
    "buffer": "citrate-1",
    "form": "C6H8O7",
    "concentrationM": "0.05",
    "volumeL": "1",
    "targetPh": "3.1",
    "workC": "25",
    "prepC": "4"
   },
   "expected": {
    "expect": "refused",
    "problem": "overlapping-pk"
   }
  },
  {
   "name": "citrate-1-outside-range",
   "about": "citrate-1: pH 4.6 is more than 1 unit from its pK at 25 °C",
   "input": {
    "buffer": "citrate-1",
    "form": "C6H8O7",
    "concentrationM": "0.05",
    "volumeL": "1",
    "targetPh": "4.6",
    "workC": "25",
    "prepC": "25"
   },
   "expected": {
    "expect": "refused",
    "problem": "outside-buffer-range"
   }
  },
  {
   "name": "citrate-2-recipe",
   "about": "citrate-2: 50 mM in 1 L for pH 4.8 at 25 °C, adjusted at 4 °C",
   "input": {
    "buffer": "citrate-2",
    "form": "C6H8O7",
    "concentrationM": "0.05",
    "volumeL": "1",
    "targetPh": "4.8",
    "workC": "25",
    "prepC": "4"
   },
   "expected": {
    "expect": "refused",
    "problem": "overlapping-pk"
   }
  },
  {
   "name": "citrate-2-outside-range",
   "about": "citrate-2: pH 6.3 is more than 1 unit from its pK at 25 °C",
   "input": {
    "buffer": "citrate-2",
    "form": "C6H8O7",
    "concentrationM": "0.05",
    "volumeL": "1",
    "targetPh": "6.3",
    "workC": "25",
    "prepC": "25"
   },
   "expected": {
    "expect": "refused",
    "problem": "outside-buffer-range"
   }
  },
  {
   "name": "bis-tris-recipe",
   "about": "bis-tris: 50 mM in 1 L for pH 6.5 at 25 °C, adjusted at 4 °C",
   "input": {
    "buffer": "bis-tris",
    "form": "C8H19NO5",
    "concentrationM": "0.05",
    "volumeL": "1",
    "targetPh": "6.5",
    "workC": "25",
    "prepC": "4"
   },
   "expected": {
    "expect": "ok",
    "formulaWeight": "209.242",
    "massG": "10.46210",
    "pKAtWork": "6.4840000000000000000",
    "pKAtPrep": "6.8571400814222261478",
    "setpoint": "6.8731400814222261478",
    "setpointShown": "6.87"
   }
  },
  {
   "name": "bis-tris-outside-range",
   "about": "bis-tris: pH 8.0 is more than 1 unit from its pK at 25 °C",
   "input": {
    "buffer": "bis-tris",
    "form": "C8H19NO5",
    "concentrationM": "0.05",
    "volumeL": "1",
    "targetPh": "8.0",
    "workC": "25",
    "prepC": "25"
   },
   "expected": {
    "expect": "refused",
    "problem": "outside-buffer-range"
   }
  },
  {
   "name": "glycylglycine-2-recipe",
   "about": "glycylglycine-2: 50 mM in 1 L for pH 8.3 at 25 °C, adjusted at 4 °C",
   "input": {
    "buffer": "glycylglycine-2",
    "form": "C4H8N2O3",
    "concentrationM": "0.05",
    "volumeL": "1",
    "targetPh": "8.3",
    "workC": "25",
    "prepC": "4"
   },
   "expected": {
    "expect": "ok",
    "formulaWeight": "132.119",
    "massG": "6.60595",
    "pKAtWork": "8.2650000000000000000",
    "pKAtPrep": "8.8433964721784236999",
    "setpoint": "8.8783964721784236999",
    "setpointShown": "8.88"
   }
  },
  {
   "name": "glycylglycine-2-outside-range",
   "about": "glycylglycine-2: pH 9.8 is more than 1 unit from its pK at 25 °C",
   "input": {
    "buffer": "glycylglycine-2",
    "form": "C4H8N2O3",
    "concentrationM": "0.05",
    "volumeL": "1",
    "targetPh": "9.8",
    "workC": "25",
    "prepC": "25"
   },
   "expected": {
    "expect": "refused",
    "problem": "outside-buffer-range"
   }
  },
  {
   "name": "borate-recipe",
   "about": "borate: 50 mM in 1 L for pH 9.2 at 25 °C, adjusted at 4 °C",
   "input": {
    "buffer": "borate",
    "form": "H3BO3",
    "concentrationM": "0.05",
    "volumeL": "1",
    "targetPh": "9.2",
    "workC": "25",
    "prepC": "4"
   },
   "expected": {
    "expect": "refused",
    "problem": "no-form"
   }
  },
  {
   "name": "borate-outside-range",
   "about": "borate: pH 10.7 is more than 1 unit from its pK at 25 °C",
   "input": {
    "buffer": "borate",
    "form": "H3BO3",
    "concentrationM": "0.05",
    "volumeL": "1",
    "targetPh": "10.7",
    "workC": "25",
    "prepC": "25"
   },
   "expected": {
    "expect": "refused",
    "problem": "no-form"
   }
  },
  {
   "name": "ammonia-recipe",
   "about": "ammonia: 50 mM in 1 L for pH 9.2 at 25 °C, adjusted at 4 °C",
   "input": {
    "buffer": "ammonia",
    "form": "NH4Cl",
    "concentrationM": "0.05",
    "volumeL": "1",
    "targetPh": "9.2",
    "workC": "25",
    "prepC": "4"
   },
   "expected": {
    "expect": "refused",
    "problem": "no-form"
   }
  },
  {
   "name": "ammonia-outside-range",
   "about": "ammonia: pH 10.7 is more than 1 unit from its pK at 25 °C",
   "input": {
    "buffer": "ammonia",
    "form": "NH4Cl",
    "concentrationM": "0.05",
    "volumeL": "1",
    "targetPh": "10.7",
    "workC": "25",
    "prepC": "25"
   },
   "expected": {
    "expect": "refused",
    "problem": "no-form"
   }
  },
  {
   "name": "ethanolamine-recipe",
   "about": "ethanolamine: 50 mM in 1 L for pH 9.5 at 25 °C, adjusted at 4 °C",
   "input": {
    "buffer": "ethanolamine",
    "form": "C2H7NO",
    "concentrationM": "0.05",
    "volumeL": "1",
    "targetPh": "9.5",
    "workC": "25",
    "prepC": "4"
   },
   "expected": {
    "expect": "ok",
    "formulaWeight": "61.084",
    "massG": "3.05420",
    "pKAtWork": "9.4980000000000000000",
    "pKAtPrep": "10.164914172516149815",
    "setpoint": "10.166914172516149815",
    "setpointShown": "10.17"
   }
  },
  {
   "name": "ethanolamine-outside-range",
   "about": "ethanolamine: pH 11.0 is more than 1 unit from its pK at 25 °C",
   "input": {
    "buffer": "ethanolamine",
    "form": "C2H7NO",
    "concentrationM": "0.05",
    "volumeL": "1",
    "targetPh": "11.0",
    "workC": "25",
    "prepC": "25"
   },
   "expected": {
    "expect": "refused",
    "problem": "outside-buffer-range"
   }
  },
  {
   "name": "triethanolamine-recipe",
   "about": "triethanolamine: 50 mM in 1 L for pH 7.8 at 25 °C, adjusted at 4 °C",
   "input": {
    "buffer": "triethanolamine",
    "form": "C6H15NO3",
    "concentrationM": "0.05",
    "volumeL": "1",
    "targetPh": "7.8",
    "workC": "25",
    "prepC": "4"
   },
   "expected": {
    "expect": "ok",
    "formulaWeight": "149.190",
    "massG": "7.45950",
    "pKAtWork": "7.7620000000000000000",
    "pKAtPrep": "8.2008835158810256085",
    "setpoint": "8.2388835158810256085",
    "setpointShown": "8.24"
   }
  },
  {
   "name": "triethanolamine-outside-range",
   "about": "triethanolamine: pH 9.3 is more than 1 unit from its pK at 25 °C",
   "input": {
    "buffer": "triethanolamine",
    "form": "C6H15NO3",
    "concentrationM": "0.05",
    "volumeL": "1",
    "targetPh": "9.3",
    "workC": "25",
    "prepC": "25"
   },
   "expected": {
    "expect": "refused",
    "problem": "outside-buffer-range"
   }
  },
  {
   "name": "bes-recipe",
   "about": "bes: 50 mM in 1 L for pH 7.2 at 25 °C, adjusted at 4 °C",
   "input": {
    "buffer": "bes",
    "form": "C6H15NO5S",
    "concentrationM": "0.05",
    "volumeL": "1",
    "targetPh": "7.2",
    "workC": "25",
    "prepC": "4"
   },
   "expected": {
    "expect": "ok",
    "formulaWeight": "213.248",
    "massG": "10.66240",
    "pKAtWork": "7.1870000000000000000",
    "pKAtPrep": "7.5091914907778452216",
    "setpoint": "7.5221914907778452216",
    "setpointShown": "7.52"
   }
  },
  {
   "name": "bes-outside-range",
   "about": "bes: pH 8.7 is more than 1 unit from its pK at 25 °C",
   "input": {
    "buffer": "bes",
    "form": "C6H15NO5S",
    "concentrationM": "0.05",
    "volumeL": "1",
    "targetPh": "8.7",
    "workC": "25",
    "prepC": "25"
   },
   "expected": {
    "expect": "refused",
    "problem": "outside-buffer-range"
   }
  },
  {
   "name": "ada-3-recipe",
   "about": "ada-3: 50 mM in 1 L for pH 6.8 at 25 °C, adjusted at 4 °C",
   "input": {
    "buffer": "ada-3",
    "form": "C6H10N2O5",
    "concentrationM": "0.05",
    "volumeL": "1",
    "targetPh": "6.8",
    "workC": "25",
    "prepC": "4"
   },
   "expected": {
    "expect": "ok",
    "formulaWeight": "190.155",
    "massG": "9.50775",
    "pKAtWork": "6.8440000000000000000",
    "pKAtPrep": "7.0269063522169939319",
    "setpoint": "6.9829063522169939319",
    "setpointShown": "6.98"
   }
  },
  {
   "name": "ada-3-outside-range",
   "about": "ada-3: pH 8.3 is more than 1 unit from its pK at 25 °C",
   "input": {
    "buffer": "ada-3",
    "form": "C6H10N2O5",
    "concentrationM": "0.05",
    "volumeL": "1",
    "targetPh": "8.3",
    "workC": "25",
    "prepC": "25"
   },
   "expected": {
    "expect": "refused",
    "problem": "outside-buffer-range"
   }
  },
  {
   "name": "caps-recipe",
   "about": "caps: 50 mM in 1 L for pH 10.5 at 25 °C, adjusted at 4 °C",
   "input": {
    "buffer": "caps",
    "form": "C9H19NO3S",
    "concentrationM": "0.05",
    "volumeL": "1",
    "targetPh": "10.5",
    "workC": "25",
    "prepC": "4"
   },
   "expected": {
    "expect": "ok",
    "formulaWeight": "221.315",
    "massG": "11.06575",
    "pKAtWork": "10.499000000000000000",
    "pKAtPrep": "11.129363933919895992",
    "setpoint": "11.130363933919895992",
    "setpointShown": "11.13"
   }
  },
  {
   "name": "caps-outside-range",
   "about": "caps: pH 12.0 is more than 1 unit from its pK at 25 °C",
   "input": {
    "buffer": "caps",
    "form": "C9H19NO3S",
    "concentrationM": "0.05",
    "volumeL": "1",
    "targetPh": "12.0",
    "workC": "25",
    "prepC": "25"
   },
   "expected": {
    "expect": "refused",
    "problem": "outside-buffer-range"
   }
  },
  {
   "name": "capso-recipe",
   "about": "capso: 50 mM in 1 L for pH 9.8 at 25 °C, adjusted at 4 °C",
   "input": {
    "buffer": "capso",
    "form": "C9H19NO4S",
    "concentrationM": "0.05",
    "volumeL": "1",
    "targetPh": "9.8",
    "workC": "25",
    "prepC": "4"
   },
   "expected": {
    "expect": "ok",
    "formulaWeight": "237.314",
    "massG": "11.86570",
    "pKAtWork": "9.8250000000000000000",
    "pKAtPrep": "10.441521329742909633",
    "setpoint": "10.416521329742909633",
    "setpointShown": "10.42"
   }
  },
  {
   "name": "capso-outside-range",
   "about": "capso: pH 11.3 is more than 1 unit from its pK at 25 °C",
   "input": {
    "buffer": "capso",
    "form": "C9H19NO4S",
    "concentrationM": "0.05",
    "volumeL": "1",
    "targetPh": "11.3",
    "workC": "25",
    "prepC": "25"
   },
   "expected": {
    "expect": "refused",
    "problem": "outside-buffer-range"
   }
  },
  {
   "name": "dipso-recipe",
   "about": "dipso: 50 mM in 1 L for pH 7.6 at 25 °C, adjusted at 4 °C",
   "input": {
    "buffer": "dipso",
    "form": "C7H17NO6S",
    "concentrationM": "0.05",
    "volumeL": "1",
    "targetPh": "7.6",
    "workC": "25",
    "prepC": "4"
   },
   "expected": {
    "expect": "ok",
    "formulaWeight": "243.274",
    "massG": "12.16370",
    "pKAtWork": "7.5760000000000000000",
    "pKAtPrep": "7.9706270201933863801",
    "setpoint": "7.9946270201933863801",
    "setpointShown": "7.99"
   }
  },
  {
   "name": "dipso-outside-range",
   "about": "dipso: pH 9.1 is more than 1 unit from its pK at 25 °C",
   "input": {
    "buffer": "dipso",
    "form": "C7H17NO6S",
    "concentrationM": "0.05",
    "volumeL": "1",
    "targetPh": "9.1",
    "workC": "25",
    "prepC": "25"
   },
   "expected": {
    "expect": "refused",
    "problem": "outside-buffer-range"
   }
  },
  {
   "name": "heppso-recipe",
   "about": "heppso: 50 mM in 1 L for pH 8.0 at 25 °C, adjusted at 4 °C",
   "input": {
    "buffer": "heppso",
    "form": "C9H20N2O5S",
    "concentrationM": "0.05",
    "volumeL": "1",
    "targetPh": "8.0",
    "workC": "25",
    "prepC": "4"
   },
   "expected": {
    "expect": "ok",
    "formulaWeight": "268.328",
    "massG": "13.41640",
    "pKAtWork": "8.0420000000000000000",
    "pKAtPrep": "8.3498945692064803976",
    "setpoint": "8.3078945692064803976",
    "setpointShown": "8.31"
   }
  },
  {
   "name": "heppso-outside-range",
   "about": "heppso: pH 9.5 is more than 1 unit from its pK at 25 °C",
   "input": {
    "buffer": "heppso",
    "form": "C9H20N2O5S",
    "concentrationM": "0.05",
    "volumeL": "1",
    "targetPh": "9.5",
    "workC": "25",
    "prepC": "25"
   },
   "expected": {
    "expect": "refused",
    "problem": "outside-buffer-range"
   }
  },
  {
   "name": "tapso-recipe",
   "about": "tapso: 50 mM in 1 L for pH 7.6 at 25 °C, adjusted at 4 °C",
   "input": {
    "buffer": "tapso",
    "form": "C7H17NO7S",
    "concentrationM": "0.05",
    "volumeL": "1",
    "targetPh": "7.6",
    "workC": "25",
    "prepC": "4"
   },
   "expected": {
    "expect": "ok",
    "formulaWeight": "259.273",
    "massG": "12.96365",
    "pKAtWork": "7.6350000000000000000",
    "pKAtPrep": "8.1561834986928254456",
    "setpoint": "8.1211834986928254456",
    "setpointShown": "8.12"
   }
  },
  {
   "name": "tapso-outside-range",
   "about": "tapso: pH 9.1 is more than 1 unit from its pK at 25 °C",
   "input": {
    "buffer": "tapso",
    "form": "C7H17NO7S",
    "concentrationM": "0.05",
    "volumeL": "1",
    "targetPh": "9.1",
    "workC": "25",
    "prepC": "25"
   },
   "expected": {
    "expect": "refused",
    "problem": "outside-buffer-range"
   }
  },
  {
   "name": "succinate-2-recipe",
   "about": "succinate-2: 50 mM in 1 L for pH 5.6 at 25 °C, adjusted at 4 °C",
   "input": {
    "buffer": "succinate-2",
    "form": "C4H6O4",
    "concentrationM": "0.05",
    "volumeL": "1",
    "targetPh": "5.6",
    "workC": "25",
    "prepC": "4"
   },
   "expected": {
    "expect": "refused",
    "problem": "overlapping-pk"
   }
  },
  {
   "name": "succinate-2-outside-range",
   "about": "succinate-2: pH 7.1 is more than 1 unit from its pK at 25 °C",
   "input": {
    "buffer": "succinate-2",
    "form": "C4H6O4",
    "concentrationM": "0.05",
    "volumeL": "1",
    "targetPh": "7.1",
    "workC": "25",
    "prepC": "25"
   },
   "expected": {
    "expect": "refused",
    "problem": "outside-buffer-range"
   }
  },
  {
   "name": "maleate-2-recipe",
   "about": "maleate-2: 50 mM in 1 L for pH 6.3 at 25 °C, adjusted at 4 °C",
   "input": {
    "buffer": "maleate-2",
    "form": "C4H4O4",
    "concentrationM": "0.05",
    "volumeL": "1",
    "targetPh": "6.3",
    "workC": "25",
    "prepC": "4"
   },
   "expected": {
    "expect": "ok",
    "formulaWeight": "116.072",
    "massG": "5.80360",
    "pKAtWork": "6.2700000000000000000",
    "pKAtPrep": "6.2266379183217059134",
    "setpoint": "6.2566379183217059134",
    "setpointShown": "6.26"
   }
  },
  {
   "name": "maleate-2-outside-range",
   "about": "maleate-2: pH 7.8 is more than 1 unit from its pK at 25 °C",
   "input": {
    "buffer": "maleate-2",
    "form": "C4H4O4",
    "concentrationM": "0.05",
    "volumeL": "1",
    "targetPh": "7.8",
    "workC": "25",
    "prepC": "25"
   },
   "expected": {
    "expect": "refused",
    "problem": "outside-buffer-range"
   }
  },
  {
   "name": "carbonate-still-refused",
   "about": "Carbonate stays refused: an open CO₂ system",
   "input": {
    "buffer": "carbonate-2",
    "form": "Na2CO3",
    "concentrationM": "0.05",
    "volumeL": "1",
    "targetPh": "10.3",
    "workC": "25",
    "prepC": "25"
   },
   "expected": {
    "expect": "refused",
    "problem": "open-system"
   }
  },
  {
   "name": "original-tris-unchanged",
   "about": "An original buffer still plans as before the widening: Tris for pH 8.0 at 25 °C, adjusted at 4 °C",
   "input": {
    "buffer": "tris",
    "form": "C4H11NO3",
    "concentrationM": "0.05",
    "volumeL": "1",
    "targetPh": "8.0",
    "workC": "25",
    "prepC": "4"
   },
   "expected": {
    "expect": "ok",
    "formulaWeight": "121.136",
    "massG": "6.05680",
    "pKAtWork": "8.0720000000000000000",
    "pKAtPrep": "8.7102973966545050374",
    "setpoint": "8.6382973966545050374",
    "setpointShown": "8.64"
   }
  }
 ],
 "neighbours": [
  {
   "step": "citrate-1",
   "neighbour": "citrate-2",
   "pK25": "4.761",
   "listedByStarter": true,
   "distanceFromStep": "1.633",
   "moreThanTwoAway": false,
   "source": "Goldberg 2002, section 8, pp. 359-360"
  },
  {
   "step": "citrate-1",
   "neighbour": "citrate-3",
   "pK25": "6.396",
   "listedByStarter": true,
   "distanceFromStep": "3.268",
   "moreThanTwoAway": true,
   "source": "Goldberg 2002, section 8, pp. 359-360"
  },
  {
   "step": "citrate-2",
   "neighbour": "citrate-1",
   "pK25": "3.128",
   "listedByStarter": true,
   "distanceFromStep": "1.633",
   "moreThanTwoAway": false,
   "source": "Goldberg 2002, section 8, pp. 359-360"
  },
  {
   "step": "citrate-2",
   "neighbour": "citrate-3",
   "pK25": "6.396",
   "listedByStarter": true,
   "distanceFromStep": "1.635",
   "moreThanTwoAway": false,
   "source": "Goldberg 2002, section 8, pp. 359-360"
  },
  {
   "step": "ada-3",
   "neighbour": "ada-1",
   "pK25": "1.59",
   "listedByStarter": false,
   "distanceFromStep": "5.254",
   "moreThanTwoAway": true,
   "source": "Goldberg 2002, section 8, pp. 359-360"
  },
  {
   "step": "ada-3",
   "neighbour": "ada-2",
   "pK25": "2.48",
   "listedByStarter": false,
   "distanceFromStep": "4.364",
   "moreThanTwoAway": true,
   "source": "Goldberg 2002, section 8, pp. 359-360"
  },
  {
   "step": "glycylglycine-2",
   "neighbour": "glycylglycine-1",
   "pK25": "3.140",
   "listedByStarter": false,
   "distanceFromStep": "5.125",
   "moreThanTwoAway": true,
   "source": "Goldberg 2002, section 8, pp. 359-360"
  },
  {
   "step": "succinate-2",
   "neighbour": "succinate-1",
   "pK25": "4.207",
   "listedByStarter": false,
   "distanceFromStep": "1.429",
   "moreThanTwoAway": false,
   "source": "Goldberg 2002, section 8, pp. 359-360"
  },
  {
   "step": "maleate-2",
   "neighbour": "maleate-1",
   "pK25": "1.92",
   "listedByStarter": false,
   "distanceFromStep": "4.35",
   "moreThanTwoAway": true,
   "source": "Goldberg 2002, section 8, pp. 359-360"
  }
 ]
}