Data quality metrics extracted from 9hwi.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "5798849f2eef94a2b36b80a6781d8c9e",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 88.816,
    "b": 95.377,
    "c": 102.122,
    "alpha": 90.00,
    "beta": 105.94,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.01,2.5],
    "number_observations_unique": 56824,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1294
      },
      {
        "type": "R(meas)",
        "value": 0.1399
      },
      {
        "type": "I/SigI",
        "value": 10.75
      },
      {
        "type": "Completeness",
        "value": 99.84
      },
      {
        "type": "Redundancy",
        "value": 7.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.589,2.5],
      "number_observations_unique": 5643,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.8855
        },
        {
          "type": "R(meas)",
          "value": 0.9556
        },
        {
          "type": "I/SigI",
          "value": 1.68
        },
        {
          "type": "CC(1/2)",
          "value": 0.859
        }
      ]
    }
  ]

}
  

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


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