Data quality metrics extracted from 9gcj.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": "f325acfc798d54fcf1cb61129d30131c",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 68.161,
    "b": 98.307,
    "c": 81.776,
    "alpha": 90.000,
    "beta": 97.632,
    "gamma": 90.000
  },
  "wavelengths": [0.97630],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [98.31,1.95],
    "number_observations_unique": 77506,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.137
      },
      {
        "type": "R(pim)",
        "value": 0.095
      },
      {
        "type": "I/SigI",
        "value": 8.3
      },
      {
        "type": "Completeness",
        "value": 99.6
      },
      {
        "type": "Redundancy",
        "value": 6.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.974
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.99,1.95],
      "number_observations_unique": 4600,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 1.655
        },
        {
          "type": "R(pim)",
          "value": 0.634
        },
        {
          "type": "I/SigI",
          "value": 1.8
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 6.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.653
        }
      ]
    }
  ]

}
  

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


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