Data quality metrics extracted from 6fnd.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": "a9c4bef0d19a4058a3f196a247e91278",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 61.935,
    "b": 89.371,
    "c": 91.720,
    "alpha": 108.69,
    "beta": 101.31,
    "gamma": 103.41
  },
  "wavelengths": [1.28225],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40,2.10],
    "number_observations_unique": 167741,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.138
      },
      {
        "type": "I/SigI",
        "value": 15.5
      },
      {
        "type": "Completeness",
        "value": 82.8
      },
      {
        "type": "Redundancy",
        "value": 2.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.23,2.10],
      "number_observations_unique": 14053,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.967
        },
        {
          "type": "I/SigI",
          "value": 2.7
        },
        {
          "type": "Completeness",
          "value": 43.2
        },
        {
          "type": "Redundancy",
          "value": 2.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.79
        }
      ]
    }
  ]

}
  

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


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