Data quality metrics extracted from 8j49.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": "b3beba5fde967c128064a9fc02f89b1e",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 30.159,
    "b": 45.091,
    "c": 52.947,
    "alpha": 92.43,
    "beta": 101.86,
    "gamma": 108.62
  },
  "wavelengths": [1.28277],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.44,1.66],
    "number_observations_unique": 25490,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.034
      },
      {
        "type": "I/SigI",
        "value": 11.7
      },
      {
        "type": "Completeness",
        "value": 83.5
      },
      {
        "type": "Redundancy",
        "value": 3.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.75,1.66],
      "number_observations_unique": 1455,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.25
        },
        {
          "type": "I/SigI",
          "value": 2.3
        }
      ]
    }
  ]

}
  

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


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