Data quality metrics extracted from 6hjs.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": "2f0cd3a6c95aa28d68640c0135108dbf",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 62.685,
    "b": 86.442,
    "c": 92.099,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98014],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.05,1.61],
    "number_observations_unique": 65189,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.070
      },
      {
        "type": "R(meas)",
        "value": 0.077
      },
      {
        "type": "R(pim)",
        "value": 0.030
      },
      {
        "type": "I/SigI",
        "value": 15.4
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 6.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.64,1.61],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.596
        },
        {
          "type": "R(meas)",
          "value": 0.646
        },
        {
          "type": "R(pim)",
          "value": 0.247
        }
      ]
    }
  ]

}
  

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


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