Data quality metrics extracted from 3kl1.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": "ccdd6af3ebe0f7f3e6c812515c2f435b",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 61.143,
    "b": 61.143,
    "c": 184.769,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97943,0.97960,0.96438,1.90000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.55],
    "number_observations_unique": 57490,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.047
      },
      {
        "type": "I/SigI",
        "value": 0.056
      },
      {
        "type": "Completeness",
        "value": 97
      },
      {
        "type": "Redundancy",
        "value": 10.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.58,1.55],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.667
        },
        {
          "type": "I/SigI",
          "value": 3.4
        },
        {
          "type": "Completeness",
          "value": 5
        },
        {
          "type": "Redundancy",
          "value": 5.1
        }
      ]
    }
  ]

}
  

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


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