Data quality metrics extracted from 8jck.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": "c130fa293ee294ba4dfc1e4a0db4718a",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 98.056,
    "b": 82.229,
    "c": 51.778,
    "alpha": 90.00,
    "beta": 114.75,
    "gamma": 90.00
  },
  "wavelengths": [0.97883],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.61],
    "number_observations_unique": 95277,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.096
      },
      {
        "type": "R(meas)",
        "value": 0.113
      },
      {
        "type": "I/SigI",
        "value": 7.76
      },
      {
        "type": "Completeness",
        "value": 99.0
      },
      {
        "type": "Redundancy",
        "value": 6.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.988
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.65,1.61],
      "number_observations_unique": 6881,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.397
        },
        {
          "type": "R(meas)",
          "value": 0.47200000000000003
        },
        {
          "type": "CC(1/2)",
          "value": 0.899
        }
      ]
    },
    {
      "resolution_limits": [1.69,1.65],
      "number_observations_unique": 6874,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3
        },
        {
          "type": "R(meas)",
          "value": 0.35600000000000004
        },
        {
          "type": "CC(1/2)",
          "value": 0.943
        }
      ]
    },
    {
      "resolution_limits": [1.74,1.69],
      "number_observations_unique": 6774,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.23800000000000002
        },
        {
          "type": "R(meas)",
          "value": 0.28300000000000003
        },
        {
          "type": "CC(1/2)",
          "value": 0.9640000000000001
        }
      ]
    },
    {
      "resolution_limits": [1.79,1.74],
      "number_observations_unique": 6498,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.20800000000000002
        },
        {
          "type": "R(meas)",
          "value": 0.248
        },
        {
          "type": "CC(1/2)",
          "value": 0.966
        }
      ]
    },
    {
      "resolution_limits": [1.85,1.79],
      "number_observations_unique": 6203,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.166
        },
        {
          "type": "R(meas)",
          "value": 0.19899999999999998
        },
        {
          "type": "CC(1/2)",
          "value": 0.9740000000000001
        }
      ]
    },
    {
      "resolution_limits": [1.92,1.85],
      "number_observations_unique": 6176,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.159
        },
        {
          "type": "R(meas)",
          "value": 0.188
        },
        {
          "type": "CC(1/2)",
          "value": 0.9740000000000001
        }
      ]
    },
    {
      "resolution_limits": [1.99,1.92],
      "number_observations_unique": 5867,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.136
        },
        {
          "type": "R(meas)",
          "value": 0.161
        },
        {
          "type": "CC(1/2)",
          "value": 0.9790000000000001
        }
      ]
    },
    {
      "resolution_limits": [2.07,1.99],
      "number_observations_unique": 5698,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.122
        },
        {
          "type": "R(meas)",
          "value": 0.145
        },
        {
          "type": "CC(1/2)",
          "value": 0.98
        }
      ]
    },
    {
      "resolution_limits": [2.16,2.07],
      "number_observations_unique": 5368,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.11
        },
        {
          "type": "R(meas)",
          "value": 0.132
        },
        {
          "type": "CC(1/2)",
          "value": 0.978
        }
      ]
    },
    {
      "resolution_limits": [2.27,2.16],
      "number_observations_unique": 5193,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.10800000000000001
        },
        {
          "type": "R(meas)",
          "value": 0.129
        },
        {
          "type": "CC(1/2)",
          "value": 0.9790000000000001
        }
      ]
    },
    {
      "resolution_limits": [2.39,2.27],
      "number_observations_unique": 4917,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.10400000000000001
        },
        {
          "type": "R(meas)",
          "value": 0.124
        },
        {
          "type": "CC(1/2)",
          "value": 0.981
        }
      ]
    },
    {
      "resolution_limits": [2.54,2.39],
      "number_observations_unique": 4697,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1
        },
        {
          "type": "R(meas)",
          "value": 0.11900000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.981
        }
      ]
    },
    {
      "resolution_limits": [2.71,2.54],
      "number_observations_unique": 4399,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.096
        },
        {
          "type": "R(meas)",
          "value": 0.113
        },
        {
          "type": "CC(1/2)",
          "value": 0.981
        }
      ]
    },
    {
      "resolution_limits": [2.93,2.71],
      "number_observations_unique": 4046,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.09
        },
        {
          "type": "R(meas)",
          "value": 0.10800000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.981
        }
      ]
    },
    {
      "resolution_limits": [3.21,2.93],
      "number_observations_unique": 3778,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.092
        },
        {
          "type": "R(meas)",
          "value": 0.10800000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.983
        }
      ]
    },
    {
      "resolution_limits": [3.59,3.21],
      "number_observations_unique": 3406,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08900000000000001
        },
        {
          "type": "R(meas)",
          "value": 0.105
        },
        {
          "type": "CC(1/2)",
          "value": 0.983
        }
      ]
    },
    {
      "resolution_limits": [4.14,3.59],
      "number_observations_unique": 2948,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08800000000000001
        },
        {
          "type": "R(meas)",
          "value": 0.106
        },
        {
          "type": "CC(1/2)",
          "value": 0.9790000000000001
        }
      ]
    },
    {
      "resolution_limits": [5.08,4.14],
      "number_observations_unique": 2538,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.092
        },
        {
          "type": "R(meas)",
          "value": 0.10800000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.98
        }
      ]
    },
    {
      "resolution_limits": [7.18,5.08],
      "number_observations_unique": 1962,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08900000000000001
        },
        {
          "type": "R(meas)",
          "value": 0.106
        },
        {
          "type": "CC(1/2)",
          "value": 0.981
        }
      ]
    },
    {
      "resolution_limits": [50,7.18],
      "number_observations_unique": 1054,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.096
        },
        {
          "type": "R(meas)",
          "value": 0.114
        },
        {
          "type": "CC(1/2)",
          "value": 0.981
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 50.000 50.000 1.690
High resolution limit [Å] 1.610 7.180 1.650
R(merge) 0.0960 0.0960 0.3000
R(meas) 0.1130 0.1140 0.3560
CC(1/2) 0.988 0.981 0.943
Completeness [%] 99.0 - -
Multiplicity 6.6 - -


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

Resolution [Å] R(merge) R(meas) CC(1/2)
50.000-7.180 0.0960 0.1140 0.981
7.180-5.080 0.0890 0.1060 0.981
5.080-4.140 0.0920 0.1080 0.980
4.140-3.590 0.0880 0.1060 0.979
3.590-3.210 0.0890 0.1050 0.983
3.210-2.930 0.0920 0.1080 0.983
2.930-2.710 0.0900 0.1080 0.981
2.710-2.540 0.0960 0.1130 0.981
2.540-2.390 0.1000 0.1190 0.981
2.390-2.270 0.1040 0.1240 0.981
2.270-2.160 0.1080 0.1290 0.979
2.160-2.070 0.1100 0.1320 0.978
2.070-1.990 0.1220 0.1450 0.980
1.990-1.920 0.1360 0.1610 0.979
1.920-1.850 0.1590 0.1880 0.974
1.850-1.790 0.1660 0.1990 0.974
1.790-1.740 0.2080 0.2480 0.966
1.740-1.690 0.2380 0.2830 0.964
1.690-1.650 0.3000 0.3560 0.943
1.650-1.610 0.3970 0.4720 0.899