Data quality metrics extracted from 7kp6.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": "fa005029175de768395bfb91ec8ce3be",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 71.016,
    "b": 42.819,
    "c": 92.623,
    "alpha": 90.00,
    "beta": 99.65,
    "gamma": 90.00
  },
  "wavelengths": [0.92009],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [60.69,1.444],
    "number_observations_unique": 129549,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.062
      },
      {
        "type": "R(meas)",
        "value": 0.074
      },
      {
        "type": "I/SigI",
        "value": 9.9
      },
      {
        "type": "Completeness",
        "value": 94.4
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.624,1.444],
      "number_observations_unique": 3138,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.531
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "Completeness",
          "value": 78.7
        },
        {
          "type": "Redundancy",
          "value": 2.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.65
        }
      ]
    }
  ]

}
  

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


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