Data quality metrics extracted from 9g7j.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": "aca1feeac88e7ac44c9e456b2c04982f",
  "space_group_name": "P 21 2 21",
  "unit_cell": {
    "a": 64.595,
    "b": 100.436,
    "c": 176.595,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.21434],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [100.44,1.59],
    "number_observations_unique": 116033,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.173
      },
      {
        "type": "R(meas)",
        "value": 0.187
      },
      {
        "type": "R(pim)",
        "value": 0.072
      },
      {
        "type": "I/SigI",
        "value": 8.4
      },
      {
        "type": "Completeness",
        "value": 95.1
      },
      {
        "type": "Redundancy",
        "value": 12.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.736,1.595],
      "number_observations_unique": 5802,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.725
        },
        {
          "type": "R(meas)",
          "value": 1.882
        },
        {
          "type": "R(pim)",
          "value": 0.746
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "Completeness",
          "value": 63.1
        },
        {
          "type": "Redundancy",
          "value": 12.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.641
        }
      ]
    }
  ]

}
  

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


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