Data quality metrics extracted from 8h2w.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": "603c5379b57ceee4f170db1b55740221",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 83.208,
    "b": 88.778,
    "c": 88.761,
    "alpha": 98.58,
    "beta": 110.55,
    "gamma": 110.56
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.82,1.21],
    "number_observations_unique": 611147,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04475
      },
      {
        "type": "R(pim)",
        "value": 0.01816
      },
      {
        "type": "I/SigI",
        "value": 23.95
      },
      {
        "type": "Completeness",
        "value": 94.35
      },
      {
        "type": "Redundancy",
        "value": 7.0
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.253,1.21],
      "number_observations_unique": 58904,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.682
        },
        {
          "type": "R(pim)",
          "value": 0.6696
        },
        {
          "type": "I/SigI",
          "value": 1.39
        },
        {
          "type": "Completeness",
          "value": 89.89
        },
        {
          "type": "Redundancy",
          "value": 7.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.736
        }
      ]
    }
  ]

}
  

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


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