Data quality metrics extracted from 7kx8.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": "c39ede9bd681e6996e85314037ab42e1",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 65.92,
    "b": 62.43,
    "c": 72.08,
    "alpha": 90.00,
    "beta": 96.07,
    "gamma": 90.00
  },
  "wavelengths": [0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [71.680,3.100],
    "number_observations": 50639,
    "number_observations_unique": 10702,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.236
      },
      {
        "type": "R(meas)",
        "value": 0.263
      },
      {
        "type": "R(pim)",
        "value": 0.115
      },
      {
        "type": "I/SigI",
        "value": 7.300
      },
      {
        "type": "Completeness",
        "value": 99.500
      },
      {
        "type": "Redundancy",
        "value": 4.700
      },
      {
        "type": "CC(1/2)",
        "value": 0.980
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.310,3.100],
      "number_observations": 9282,
      "number_observations_unique": 1926,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.927
        },
        {
          "type": "R(meas)",
          "value": 1.032
        },
        {
          "type": "R(pim)",
          "value": 0.444
        },
        {
          "type": "I/SigI",
          "value": 2.600
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 4.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.709
        }
      ]
    },
    {
      "resolution_limits": [71.680,8.770],
      "number_observations": 2388,
      "number_observations_unique": 512,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        },
        {
          "type": "R(meas)",
          "value": 0.061
        },
        {
          "type": "R(pim)",
          "value": 0.026
        },
        {
          "type": "I/SigI",
          "value": 16.900
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 4.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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