Data quality metrics extracted from 2j6i.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": "a5905c8e12aa948364eed9084daa1cfd",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 53.36,
    "b": 68.14,
    "c": 109.15,
    "alpha": 78.07,
    "beta": 89.41,
    "gamma": 81.27
  },
  "wavelengths": [0.80310],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.500,1.550],
    "number_observations_unique": 196828,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.15000
      },
      {
        "type": "I/SigI",
        "value": 12.0000
      },
      {
        "type": "Completeness",
        "value": 95.9
      },
      {
        "type": "Redundancy",
        "value": 2.400
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.90,1.55],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.50000
        },
        {
          "type": "I/SigI",
          "value": 3.000
        },
        {
          "type": "Completeness",
          "value": 94.2
        },
        {
          "type": "Redundancy",
          "value": 1.90
        }
      ]
    }
  ]

}
  

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


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