Data quality metrics extracted from 1jkf.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": "54b3d7671d9eb6b714e73c4704dfde62",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 151.042,
    "b": 95.959,
    "c": 121.291,
    "alpha": 90.00,
    "beta": 126.04,
    "gamma": 90.00
  },
  "wavelengths": [0.97940,0.97960,0.94640],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [500,2.4],
    "number_observations_unique": 49388,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0480000
      },
      {
        "type": "I/SigI",
        "value": 12.6
      },
      {
        "type": "Completeness",
        "value": 94.5
      },
      {
        "type": "Redundancy",
        "value": 1.85
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.5,2.4],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3380000
        },
        {
          "type": "I/SigI",
          "value": 2.0
        },
        {
          "type": "Completeness",
          "value": 92.6
        }
      ]
    }
  ]

}
  

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


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