Data quality metrics extracted from 7q77.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": "dd5703bec1a3491d2fde481e889db503",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 64.49,
    "b": 64.49,
    "c": 64.93,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.47700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [27.92,1.6],
    "number_observations_unique": 20806,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1792
      },
      {
        "type": "R(pim)",
        "value": 0.0720
      },
      {
        "type": "I/SigI",
        "value": 5.83
      },
      {
        "type": "Completeness",
        "value": 98.76
      },
      {
        "type": "Redundancy",
        "value": 6.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.987
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.657,1.6],
      "number_observations_unique": 2069,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.115
        },
        {
          "type": "R(pim)",
          "value": 0.8893
        },
        {
          "type": "I/SigI",
          "value": 1.08
        },
        {
          "type": "Completeness",
          "value": 99.23
        },
        {
          "type": "CC(1/2)",
          "value": 0.334
        }
      ]
    }
  ]

}
  

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


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