Data quality metrics extracted from 2j42.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": "2ce3ee6a53446b56941cf86d772edc05",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 104.4,
    "b": 104.4,
    "c": 153.2,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.000,3.100],
    "number_observations_unique": 15486,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08000
      },
      {
        "type": "I/SigI",
        "value": 21.5000
      },
      {
        "type": "Completeness",
        "value": 99.6
      },
      {
        "type": "Redundancy",
        "value": 9.500
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.22,3.13],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.44000
        },
        {
          "type": "I/SigI",
          "value": 5.700
        },
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    }
  ]

}
  

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


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