Data quality metrics extracted from 1sjw.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": "bf88914acbfa9a02702f8fbbf59312da",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 69.1,
    "b": 72.0,
    "c": 65.4,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.93400,1.09900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.03,1.35],
    "number_observations_unique": 35447,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.085
      },
      {
        "type": "I/SigI",
        "value": 23.3
      },
      {
        "type": "Completeness",
        "value": 98.5
      },
      {
        "type": "Redundancy",
        "value": 11.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.42,1.35],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.485
        },
        {
          "type": "I/SigI",
          "value": 3.4
        },
        {
          "type": "Completeness",
          "value": 98.5
        },
        {
          "type": "Redundancy",
          "value": 8.3
        }
      ]
    }
  ]

}
  

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


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