Data quality metrics extracted from 8c4r.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": "2baf20f1cb09ea2d02442251101c6c4f",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 42.74,
    "b": 64.58,
    "c": 129.65,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97702],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,1.55],
    "number_observations_unique": 53052,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.052000000000000005
      },
      {
        "type": "R(meas)",
        "value": 0.053
      },
      {
        "type": "I/SigI",
        "value": 20.21
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 8
      },
      {
        "type": "CC(1/2)",
        "value": 1.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.61,1.55],
      "number_observations_unique": 5183,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.608
        },
        {
          "type": "R(meas)",
          "value": 3.733
        },
        {
          "type": "CC(1/2)",
          "value": 0.711
        }
      ]
    },
    {
      "resolution_limits": [1.66,1.61],
      "number_observations_unique": 4512,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.662
        },
        {
          "type": "R(meas)",
          "value": 2.753
        },
        {
          "type": "CC(1/2)",
          "value": 0.81
        }
      ]
    },
    {
      "resolution_limits": [1.77,1.66],
      "number_observations_unique": 7474,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.631
        },
        {
          "type": "R(meas)",
          "value": 1.6869999999999998
        },
        {
          "type": "CC(1/2)",
          "value": 0.912
        }
      ]
    },
    {
      "resolution_limits": [8.0,1.77],
      "number_observations_unique": 35419,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "R(meas)",
          "value": 0.047
        },
        {
          "type": "CC(1/2)",
          "value": 1.0
        }
      ]
    },
    {
      "resolution_limits": [14.0,8.00],
      "number_observations_unique": 370,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "R(meas)",
          "value": 0.026000000000000002
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [17.0,14.00],
      "number_observations_unique": 38,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.024
        },
        {
          "type": "R(meas)",
          "value": 0.026000000000000002
        },
        {
          "type": "CC(1/2)",
          "value": 1.0
        }
      ]
    },
    {
      "resolution_limits": [50.0,17.00],
      "number_observations_unique": 56,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028999999999999998
        },
        {
          "type": "R(meas)",
          "value": 0.032
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    }
  ]

}
  

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


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