Data quality metrics extracted from 3k71.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": "c21bde8281d450e4ee6d730e3b4f110f",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 149.664,
    "b": 165.745,
    "c": 537.676,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97928],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.675,3.95],
    "number_observations_unique": 117330,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.141
      },
      {
        "type": "I/SigI",
        "value": 12.6
      },
      {
        "type": "Completeness",
        "value": 99.4
      },
      {
        "type": "Redundancy",
        "value": 7.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [4.11,3.95],
      "number_observations_unique": 13342,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.432
        },
        {
          "type": "I/SigI",
          "value": 1.9
        },
        {
          "type": "Completeness",
          "value": 99.4
        },
        {
          "type": "Redundancy",
          "value": 7.7
        }
      ]
    }
  ]

}
  

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


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