Data quality metrics extracted from 3jtl.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": "0e0f6ac61da2423327db66a569363080",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 255.826,
    "b": 126.582,
    "c": 182.170,
    "alpha": 90.00,
    "beta": 92.95,
    "gamma": 90.00
  },
  "wavelengths": [1.08090],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.000,3.200],
    "number_observations_unique": 95561,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.25700
      },
      {
        "type": "I/SigI",
        "value": 4.2000
      },
      {
        "type": "Completeness",
        "value": 98.9
      },
      {
        "type": "Redundancy",
        "value": 6.800
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.31,3.20],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.64200
        },
        {
          "type": "Completeness",
          "value": 90.9
        },
        {
          "type": "Redundancy",
          "value": 4.30
        }
      ]
    }
  ]

}
  

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


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