Data quality metrics extracted from 6yk1.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": "f11759a552bf63d060d150aaaed31190",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 279.380,
    "b": 53.037,
    "c": 110.149,
    "alpha": 90.00,
    "beta": 91.64,
    "gamma": 90.00
  },
  "wavelengths": [0.97240],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.20,2.4],
    "number_observations_unique": 63594,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04648
      },
      {
        "type": "R(pim)",
        "value": 0.053
      },
      {
        "type": "I/SigI",
        "value": 8.1
      },
      {
        "type": "Completeness",
        "value": 0.996
      },
      {
        "type": "Redundancy",
        "value": 3.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.46,2.4],
      "number_observations_unique": 6235,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.069
        },
        {
          "type": "R(pim)",
          "value": 0.704
        },
        {
          "type": "I/SigI",
          "value": 1.1
        },
        {
          "type": "Completeness",
          "value": 99.6
        },
        {
          "type": "Redundancy",
          "value": 3.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.541
        }
      ]
    }
  ]

}
  

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


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