Data quality metrics extracted from 9gj0.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": "cd22f345090e432bc44507b52f9a76a3",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 109.770,
    "b": 109.770,
    "c": 244.985,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.96900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [244.99,2.76],
    "number_observations": 836685,
    "number_observations_unique": 43581,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.128
      },
      {
        "type": "R(meas)",
        "value": 0.131
      },
      {
        "type": "R(pim)",
        "value": 0.030
      },
      {
        "type": "I/SigI",
        "value": 18.4
      },
      {
        "type": "Completeness",
        "value": 97.0
      },
      {
        "type": "Redundancy",
        "value": 19.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.86,2.76],
      "number_observations": 83399,
      "number_observations_unique": 4650,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.475
        },
        {
          "type": "R(meas)",
          "value": 3.576
        },
        {
          "type": "R(pim)",
          "value": 0.839
        },
        {
          "type": "I/SigI",
          "value": 0.9
        },
        {
          "type": "Redundancy",
          "value": 17.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.389
        }
      ]
    }
  ]

}
  

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


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