Data quality metrics extracted from 8hn4.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": "cfa194186b4ae1fcace71145178630b4",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 49.066,
    "b": 67.246,
    "c": 116.790,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97902],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.64,2.853],
    "number_observations_unique": 9438,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.131
      },
      {
        "type": "R(meas)",
        "value": 0.186
      },
      {
        "type": "R(pim)",
        "value": 0.083
      },
      {
        "type": "I/SigI",
        "value": 9.53
      },
      {
        "type": "Completeness",
        "value": 99.39
      },
      {
        "type": "Redundancy",
        "value": 4.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.978
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.95,2.853],
      "number_observations_unique": 901,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.566
        },
        {
          "type": "R(meas)",
          "value": 0.186
        },
        {
          "type": "R(pim)",
          "value": 0.345
        },
        {
          "type": "I/SigI",
          "value": 2.06
        },
        {
          "type": "Completeness",
          "value": 98.79
        },
        {
          "type": "CC(1/2)",
          "value": 0.801
        }
      ]
    }
  ]

}
  

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


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