Data quality metrics extracted from 8of6.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "861fe8ec8fcb768c48adba1bf2b587dd",
  "space_group_name": "P 1 2 1",
  "unit_cell": {
    "a": 137.34,
    "b": 70.15,
    "c": 149.94,
    "alpha": 90.00,
    "beta": 98.91,
    "gamma": 90.00
  },
  "wavelengths": [0.97873],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.1],
    "number_observations_unique": 163135,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.201
      },
      {
        "type": "R(meas)",
        "value": 0.212
      },
      {
        "type": "I/SigI",
        "value": 9.15
      },
      {
        "type": "Completeness",
        "value": 98.8
      },
      {
        "type": "Redundancy",
        "value": 10.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.15,2.10],
      "number_observations_unique": 11909,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.013
        },
        {
          "type": "R(meas)",
          "value": 2.112
        },
        {
          "type": "CC(1/2)",
          "value": 0.601
        }
      ]
    },
    {
      "resolution_limits": [2.21,2.15],
      "number_observations_unique": 11589,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.67
        },
        {
          "type": "R(meas)",
          "value": 1.7530000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.6970000000000001
        }
      ]
    },
    {
      "resolution_limits": [2.28,2.21],
      "number_observations_unique": 11284,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.375
        },
        {
          "type": "R(meas)",
          "value": 1.445
        },
        {
          "type": "CC(1/2)",
          "value": 0.785
        }
      ]
    },
    {
      "resolution_limits": [2.35,2.28],
      "number_observations_unique": 10981,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.176
        },
        {
          "type": "R(meas)",
          "value": 1.237
        },
        {
          "type": "CC(1/2)",
          "value": 0.838
        }
      ]
    },
    {
      "resolution_limits": [2.42,2.35],
      "number_observations_unique": 10691,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.963
        },
        {
          "type": "R(meas)",
          "value": 1.0170000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.8690000000000001
        }
      ]
    },
    {
      "resolution_limits": [2.51,2.42],
      "number_observations_unique": 10339,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.82
        },
        {
          "type": "R(meas)",
          "value": 0.8640000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.9109999999999999
        }
      ]
    },
    {
      "resolution_limits": [2.6,2.51],
      "number_observations_unique": 10008,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7
        },
        {
          "type": "R(meas)",
          "value": 0.735
        },
        {
          "type": "CC(1/2)",
          "value": 0.94
        }
      ]
    },
    {
      "resolution_limits": [2.71,2.60],
      "number_observations_unique": 9625,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.595
        },
        {
          "type": "R(meas)",
          "value": 0.625
        },
        {
          "type": "CC(1/2)",
          "value": 0.96
        }
      ]
    },
    {
      "resolution_limits": [2.83,2.71],
      "number_observations_unique": 9247,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.446
        },
        {
          "type": "R(meas)",
          "value": 0.469
        },
        {
          "type": "CC(1/2)",
          "value": 0.977
        }
      ]
    },
    {
      "resolution_limits": [2.97,2.83],
      "number_observations_unique": 8887,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.345
        },
        {
          "type": "R(meas)",
          "value": 0.363
        },
        {
          "type": "CC(1/2)",
          "value": 0.983
        }
      ]
    },
    {
      "resolution_limits": [3.13,2.97],
      "number_observations_unique": 8464,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.257
        },
        {
          "type": "R(meas)",
          "value": 0.271
        },
        {
          "type": "CC(1/2)",
          "value": 0.985
        }
      ]
    },
    {
      "resolution_limits": [3.32,3.13],
      "number_observations_unique": 8035,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.19
        },
        {
          "type": "R(meas)",
          "value": 0.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [3.55,3.32],
      "number_observations_unique": 7505,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.149
        },
        {
          "type": "R(meas)",
          "value": 0.156
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [3.83,3.55],
      "number_observations_unique": 7071,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.11599999999999999
        },
        {
          "type": "R(meas)",
          "value": 0.122
        },
        {
          "type": "CC(1/2)",
          "value": 0.9940000000000001
        }
      ]
    },
    {
      "resolution_limits": [4.2,3.83],
      "number_observations_unique": 6468,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.106
        },
        {
          "type": "R(meas)",
          "value": 0.11199999999999999
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [4.7,4.20],
      "number_observations_unique": 5925,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.095
        },
        {
          "type": "R(meas)",
          "value": 0.10099999999999999
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [5.42,4.70],
      "number_observations_unique": 5222,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.09300000000000001
        },
        {
          "type": "R(meas)",
          "value": 0.099
        },
        {
          "type": "CC(1/2)",
          "value": 0.9940000000000001
        }
      ]
    },
    {
      "resolution_limits": [6.64,5.42],
      "number_observations_unique": 4445,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.092
        },
        {
          "type": "R(meas)",
          "value": 0.09699999999999999
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [9.39,6.64],
      "number_observations_unique": 3476,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07400000000000001
        },
        {
          "type": "R(meas)",
          "value": 0.079
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):

  Overall InnerShell OuterShell
Low resolution limit [Å] 50.000 9.390 2.210
High resolution limit [Å] 2.100 6.640 2.150
R(merge) 0.2010 0.0740 1.6700
R(meas) 0.2120 0.0790 1.7530
CC(1/2) 0.996 0.997 0.697
Completeness [%] 98.8 - -
Multiplicity 10.3 - -


Binned data generated from MXLIMS-JSON (via JavaScript):

Resolution [Å] R(merge) R(meas) CC(1/2)
9.390-6.640 0.0740 0.0790 0.997
6.640-5.420 0.0920 0.0970 0.996
5.420-4.700 0.0930 0.0990 0.994
4.700-4.200 0.0950 0.1010 0.993
4.200-3.830 0.1060 0.1120 0.993
3.830-3.550 0.1160 0.1220 0.994
3.550-3.320 0.1490 0.1560 0.993
3.320-3.130 0.1900 0.2000 0.991
3.130-2.970 0.2570 0.2710 0.985
2.970-2.830 0.3450 0.3630 0.983
2.830-2.710 0.4460 0.4690 0.977
2.710-2.600 0.5950 0.6250 0.960
2.600-2.510 0.7000 0.7350 0.940
2.510-2.420 0.8200 0.8640 0.911
2.420-2.350 0.9630 1.0170 0.869
2.350-2.280 1.1760 1.2370 0.838
2.280-2.210 1.3750 1.4450 0.785
2.210-2.150 1.6700 1.7530 0.697
2.150-2.100 2.0130 2.1120 0.601