Data quality metrics extracted from 3hxq.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": "a64ea2933320cc0ad1a3c9f8663857a6",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 117.781,
    "b": 48.512,
    "c": 62.160,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.000,2.694],
    "number_observations_unique": 9819,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08000
      },
      {
        "type": "I/SigI",
        "value": 17.2000
      },
      {
        "type": "Completeness",
        "value": 94.8
      },
      {
        "type": "Redundancy",
        "value": 6.400
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.80,2.69],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.31600
        },
        {
          "type": "I/SigI",
          "value": 2.800
        },
        {
          "type": "Completeness",
          "value": 83.9
        },
        {
          "type": "Redundancy",
          "value": 4.00
        }
      ]
    }
  ]

}
  

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


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