Data quality metrics extracted from 7mky.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": "f754bb1f53b3df0ef730d88c5187b855",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 113.371,
    "b": 39.206,
    "c": 38.803,
    "alpha": 90.00,
    "beta": 97.98,
    "gamma": 90.00
  },
  "wavelengths": [0.82660],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.430,1.200],
    "number_observations": 175993,
    "number_observations_unique": 51812,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.054
      },
      {
        "type": "R(meas)",
        "value": 0.063
      },
      {
        "type": "R(pim)",
        "value": 0.032
      },
      {
        "type": "I/SigI",
        "value": 8.600
      },
      {
        "type": "Completeness",
        "value": 98.200
      },
      {
        "type": "Redundancy",
        "value": 3.400
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.220,1.200],
      "number_observations": 7340,
      "number_observations_unique": 2513,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.251
        },
        {
          "type": "R(meas)",
          "value": 2.733
        },
        {
          "type": "R(pim)",
          "value": 1.519
        },
        {
          "type": "I/SigI",
          "value": 0.400
        },
        {
          "type": "Completeness",
          "value": 96.600
        },
        {
          "type": "Redundancy",
          "value": 2.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.125
        }
      ]
    },
    {
      "resolution_limits": [38.430,6.570],
      "number_observations": 1121,
      "number_observations_unique": 311,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "R(meas)",
          "value": 0.047
        },
        {
          "type": "R(pim)",
          "value": 0.023
        },
        {
          "type": "I/SigI",
          "value": 27.200
        },
        {
          "type": "Completeness",
          "value": 91.800
        },
        {
          "type": "Redundancy",
          "value": 3.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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