Data quality metrics extracted from 7hwi.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": "9139085b80a516b278372af83e1621a4",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 72.681,
    "b": 61.692,
    "c": 32.763,
    "alpha": 90.00,
    "beta": 92.93,
    "gamma": 90.00
  },
  "wavelengths": [0.92203],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.01,1.92],
    "number_observations": 77391,
    "number_observations_unique": 11112,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.355
      },
      {
        "type": "R(meas)",
        "value": 0.383
      },
      {
        "type": "R(pim)",
        "value": 0.144
      },
      {
        "type": "I/SigI",
        "value": 3.7
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 7.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.977
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.96,1.92],
      "number_observations": 5280,
      "number_observations_unique": 731,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.290
        },
        {
          "type": "R(meas)",
          "value": 2.466
        },
        {
          "type": "R(pim)",
          "value": 0.910
        },
        {
          "type": "I/SigI",
          "value": 0.5
        },
        {
          "type": "Redundancy",
          "value": 7.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.296
        }
      ]
    }
  ]

}
  

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


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