Data quality metrics extracted from 7gkh.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": "b810af684c17ef62a23c1b1744582713",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 67.29,
    "b": 99.03,
    "c": 103.47,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91199],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [67.314,1.906],
    "number_observations": 229110,
    "number_observations_unique": 34079,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.149
      },
      {
        "type": "R(meas)",
        "value": 0.161
      },
      {
        "type": "R(pim)",
        "value": 0.061
      },
      {
        "type": "I/SigI",
        "value": 9.4
      },
      {
        "type": "Completeness",
        "value": 62.2
      },
      {
        "type": "Redundancy",
        "value": 6.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.100,1.906],
      "number_observations": 10706,
      "number_observations_unique": 1704,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.230
        },
        {
          "type": "R(meas)",
          "value": 1.341
        },
        {
          "type": "R(pim)",
          "value": 0.526
        },
        {
          "type": "I/SigI",
          "value": 1.4
        },
        {
          "type": "Redundancy",
          "value": 6.3
        }
      ]
    }
  ]

}
  

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


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