Data quality metrics extracted from 8dgg.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": "28064be3528a1a6cba7a027148273f66",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 71.69,
    "b": 97.67,
    "c": 174.49,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97946],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.0,3.78],
    "number_observations_unique": 12782,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.128
      },
      {
        "type": "R(meas)",
        "value": 0.13
      },
      {
        "type": "I/SigI",
        "value": 18.74
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 40
      },
      {
        "type": "CC(1/2)",
        "value": 1.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.88,3.78],
      "number_observations_unique": 896,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.042
        },
        {
          "type": "R(meas)",
          "value": 4.091
        },
        {
          "type": "CC(1/2)",
          "value": 0.539
        }
      ]
    },
    {
      "resolution_limits": [3.98,3.88],
      "number_observations_unique": 917,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.7889999999999997
        },
        {
          "type": "R(meas)",
          "value": 2.823
        },
        {
          "type": "CC(1/2)",
          "value": 0.775
        }
      ]
    },
    {
      "resolution_limits": [4.1,3.98],
      "number_observations_unique": 880,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.955
        },
        {
          "type": "R(meas)",
          "value": 1.9780000000000002
        },
        {
          "type": "CC(1/2)",
          "value": 0.868
        }
      ]
    },
    {
      "resolution_limits": [4.23,4.10],
      "number_observations_unique": 857,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.405
        },
        {
          "type": "R(meas)",
          "value": 1.422
        },
        {
          "type": "CC(1/2)",
          "value": 0.919
        }
      ]
    },
    {
      "resolution_limits": [4.36,4.23],
      "number_observations_unique": 821,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.9309999999999999
        },
        {
          "type": "R(meas)",
          "value": 0.943
        },
        {
          "type": "CC(1/2)",
          "value": 0.951
        }
      ]
    },
    {
      "resolution_limits": [4.52,4.36],
      "number_observations_unique": 824,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.616
        },
        {
          "type": "R(meas)",
          "value": 0.624
        },
        {
          "type": "CC(1/2)",
          "value": 0.9840000000000001
        }
      ]
    },
    {
      "resolution_limits": [4.69,4.52],
      "number_observations_unique": 760,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.43200000000000005
        },
        {
          "type": "R(meas)",
          "value": 0.43700000000000006
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [4.88,4.69],
      "number_observations_unique": 756,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3
        },
        {
          "type": "R(meas)",
          "value": 0.304
        },
        {
          "type": "CC(1/2)",
          "value": 0.9940000000000001
        }
      ]
    },
    {
      "resolution_limits": [5.1,4.88],
      "number_observations_unique": 724,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.289
        },
        {
          "type": "R(meas)",
          "value": 0.293
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [5.35,5.10],
      "number_observations_unique": 689,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.247
        },
        {
          "type": "R(meas)",
          "value": 0.25
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [5.64,5.35],
      "number_observations_unique": 662,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.203
        },
        {
          "type": "R(meas)",
          "value": 0.205
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [5.98,5.64],
      "number_observations_unique": 635,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.175
        },
        {
          "type": "R(meas)",
          "value": 0.177
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [6.39,5.98],
      "number_observations_unique": 589,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.14800000000000002
        },
        {
          "type": "R(meas)",
          "value": 0.15
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [6.9,6.39],
      "number_observations_unique": 552,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.127
        },
        {
          "type": "R(meas)",
          "value": 0.128
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [7.56,6.90],
      "number_observations_unique": 525,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.105
        },
        {
          "type": "R(meas)",
          "value": 0.107
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [8.45,7.56],
      "number_observations_unique": 461,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.084
        },
        {
          "type": "R(meas)",
          "value": 0.085
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [9.76,8.45],
      "number_observations_unique": 422,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07200000000000001
        },
        {
          "type": "R(meas)",
          "value": 0.073
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [11.95,9.76],
      "number_observations_unique": 366,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07
        },
        {
          "type": "R(meas)",
          "value": 0.071
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [16.91,11.95],
      "number_observations_unique": 285,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.067
        },
        {
          "type": "R(meas)",
          "value": 0.068
        },
        {
          "type": "CC(1/2)",
          "value": 1.0
        }
      ]
    },
    {
      "resolution_limits": [40,16.91],
      "number_observations_unique": 161,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07
        },
        {
          "type": "R(meas)",
          "value": 0.071
        },
        {
          "type": "CC(1/2)",
          "value": 1.0
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 40.000 40.000 3.980
High resolution limit [Å] 3.780 16.910 3.880
R(merge) 0.1280 0.0700 2.7890
R(meas) 0.1300 0.0710 2.8230
CC(1/2) 1.000 1.000 0.775
Completeness [%] 99.8 - -
Multiplicity 40.0 - -


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

Resolution [Å] R(merge) R(meas) CC(1/2)
40.000-16.910 0.0700 0.0710 1.000
16.910-11.950 0.0670 0.0680 1.000
11.950-9.760 0.0700 0.0710 0.999
9.760-8.450 0.0720 0.0730 0.999
8.450-7.560 0.0840 0.0850 0.999
7.560-6.900 0.1050 0.1070 0.999
6.900-6.390 0.1270 0.1280 0.999
6.390-5.980 0.1480 0.1500 0.998
5.980-5.640 0.1750 0.1770 0.998
5.640-5.350 0.2030 0.2050 0.998
5.350-5.100 0.2470 0.2500 0.996
5.100-4.880 0.2890 0.2930 0.996
4.880-4.690 0.3000 0.3040 0.994
4.690-4.520 0.4320 0.4370 0.992
4.520-4.360 0.6160 0.6240 0.984
4.360-4.230 0.9310 0.9430 0.951
4.230-4.100 1.4050 1.4220 0.919
4.100-3.980 1.9550 1.9780 0.868
3.980-3.880 2.7890 2.8230 0.775
3.880-3.780 4.0420 4.0910 0.539