Data quality metrics extracted from 1bxs.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": "dd73ff27aa5692ce90a197bd846e5edf",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 80.689,
    "b": 87.625,
    "c": 90.840,
    "alpha": 110.47,
    "beta": 105.63,
    "gamma": 103.56
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,2.35],
    "number_observations_unique": 83641,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0960000
      },
      {
        "type": "I/SigI",
        "value": 11.3
      },
      {
        "type": "Completeness",
        "value": 95.5
      },
      {
        "type": "Redundancy",
        "value": 2.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.43,2.35],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3500000
        },
        {
          "type": "I/SigI",
          "value": 2.7
        },
        {
          "type": "Completeness",
          "value": 93.7
        },
        {
          "type": "Redundancy",
          "value": 2.6
        }
      ]
    }
  ]

}
  

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


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