Data quality metrics extracted from 7kc3.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": "edcd8856024642fa7b40c05a73dd7ad7",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 104.896,
    "b": 104.896,
    "c": 51.644,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.11600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.42,1.80],
    "number_observations_unique": 30598,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1205
      },
      {
        "type": "R(meas)",
        "value": 0.1318
      },
      {
        "type": "R(pim)",
        "value": 0.05274
      },
      {
        "type": "I/SigI",
        "value": 10.55
      },
      {
        "type": "Completeness",
        "value": 91.90
      },
      {
        "type": "Redundancy",
        "value": 6
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.86,1.80],
      "number_observations_unique": 2961,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.775
        },
        {
          "type": "R(pim)",
          "value": 0.92
        },
        {
          "type": "I/SigI",
          "value": 0.64
        },
        {
          "type": "Completeness",
          "value": 74.72
        },
        {
          "type": "Redundancy",
          "value": 4.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.296
        }
      ]
    }
  ]

}
  

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


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