Data quality metrics extracted from 1xbw.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": "d9383871e73a6091a6234e467e6eb932",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 51.742,
    "b": 66.779,
    "c": 67.678,
    "alpha": 90.00,
    "beta": 105.18,
    "gamma": 90.00
  },
  "wavelengths": [0.97950,0.97980,0.94656],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.9],
    "number_observations_unique": 66916,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.076
      },
      {
        "type": "I/SigI",
        "value": 29.24
      },
      {
        "type": "Completeness",
        "value": 93.2
      },
      {
        "type": "Redundancy",
        "value": 6.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.97,1.90],
      "number_observations_unique": 2166,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.252
        },
        {
          "type": "I/SigI",
          "value": 4.02
        },
        {
          "type": "Completeness",
          "value": 61.9
        },
        {
          "type": "Redundancy",
          "value": 4.0
        }
      ]
    }
  ]

}
  

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


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