Data quality metrics extracted from 7gk8.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": "c10a0fe918d58be2ee1e9155869f16c7",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 67.19,
    "b": 98.93,
    "c": 103.18,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91199],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [71.41,2.20],
    "number_observations": 220842,
    "number_observations_unique": 35603,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.456
      },
      {
        "type": "R(meas)",
        "value": 0.498
      },
      {
        "type": "R(pim)",
        "value": 0.197
      },
      {
        "type": "I/SigI",
        "value": 5.1
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 6.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.980
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.26,2.20],
      "number_observations": 14733,
      "number_observations_unique": 2556,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.249
        },
        {
          "type": "R(meas)",
          "value": 3.570
        },
        {
          "type": "R(pim)",
          "value": 1.450
        },
        {
          "type": "I/SigI",
          "value": 0.7
        },
        {
          "type": "Redundancy",
          "value": 5.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.301
        }
      ]
    }
  ]

}
  

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


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