Data quality metrics extracted from 8khn.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": "df66a9a548981f94f74a45304a55c649",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 78.916,
    "b": 80.978,
    "c": 49.033,
    "alpha": 90.00,
    "beta": 102.21,
    "gamma": 90.00
  },
  "wavelengths": [0.97957],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [27.35,1.51],
    "number_observations_unique": 46575,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.091
      },
      {
        "type": "R(meas)",
        "value": 0.107
      },
      {
        "type": "I/SigI",
        "value": 8.61
      },
      {
        "type": "Completeness",
        "value": 98.8
      },
      {
        "type": "Redundancy",
        "value": 3.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.6,1.51],
      "number_observations_unique": 7348,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.922
        },
        {
          "type": "R(meas)",
          "value": 1.071
        },
        {
          "type": "CC(1/2)",
          "value": 0.679
        }
      ]
    },
    {
      "resolution_limits": [1.71,1.60],
      "number_observations_unique": 7100,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.61
        },
        {
          "type": "R(meas)",
          "value": 0.708
        },
        {
          "type": "CC(1/2)",
          "value": 0.836
        }
      ]
    },
    {
      "resolution_limits": [1.85,1.71],
      "number_observations_unique": 6580,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.361
        },
        {
          "type": "R(meas)",
          "value": 0.42100000000000004
        },
        {
          "type": "CC(1/2)",
          "value": 0.927
        }
      ]
    },
    {
      "resolution_limits": [2.03,1.85],
      "number_observations_unique": 6126,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.20199999999999999
        },
        {
          "type": "R(meas)",
          "value": 0.23800000000000002
        },
        {
          "type": "CC(1/2)",
          "value": 0.976
        }
      ]
    },
    {
      "resolution_limits": [2.26,2.03],
      "number_observations_unique": 5499,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.131
        },
        {
          "type": "R(meas)",
          "value": 0.152
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [2.61,2.26],
      "number_observations_unique": 4880,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.09
        },
        {
          "type": "R(meas)",
          "value": 0.105
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [3.19,2.61],
      "number_observations_unique": 4095,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06
        },
        {
          "type": "R(meas)",
          "value": 0.071
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [4.48,3.19],
      "number_observations_unique": 3121,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "R(meas)",
          "value": 0.051
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [27.35,4.48],
      "number_observations_unique": 1826,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        },
        {
          "type": "R(meas)",
          "value": 0.042
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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