Data quality metrics extracted from 3q8j.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": "fe0bba8991ab059061c15e0c02ddb24b",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 14.803,
    "b": 18.557,
    "c": 24.178,
    "alpha": 83.19,
    "beta": 84.10,
    "gamma": 68.04
  },
  "wavelengths": [1.54178],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [17.15,0.87],
    "number_observations_unique": 27756,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.048
      },
      {
        "type": "I/SigI",
        "value": 11.68
      },
      {
        "type": "Completeness",
        "value": 97.7
      },
      {
        "type": "Redundancy",
        "value": 2.41
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [0.97,0.87],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.157
        },
        {
          "type": "I/SigI",
          "value": 4.40
        },
        {
          "type": "Completeness",
          "value": 60.5
        },
        {
          "type": "Redundancy",
          "value": 1.00
        }
      ]
    }
  ]

}
  

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


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