Data quality metrics extracted from 6j65.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": "b8dc057b13833e8c8b2d5785126b7b50",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 46.300,
    "b": 46.573,
    "c": 64.246,
    "alpha": 98.06,
    "beta": 89.82,
    "gamma": 118.25
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,1.420],
    "number_observations_unique": 78869,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06500
      },
      {
        "type": "I/SigI",
        "value": 20.4000
      },
      {
        "type": "Completeness",
        "value": 89.6
      },
      {
        "type": "Redundancy",
        "value": 3.800
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.47,1.42],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.42700
        }
      ]
    }
  ]

}
  

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


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