Data quality metrics extracted from 9p0t.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "45ea0eab715a497c6cb254efd5ec83f0",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 112.540,
    "b": 180.592,
    "c": 88.109,
    "alpha": 90.00,
    "beta": 106.62,
    "gamma": 90.00
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [92.59,1.79],
    "number_observations_unique": 307049,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.178
      },
      {
        "type": "R(meas)",
        "value": 0.193
      },
      {
        "type": "R(pim)",
        "value": 0.073
      },
      {
        "type": "I/SigI",
        "value": 9.2
      },
      {
        "type": "Completeness",
        "value": 98.7
      },
      {
        "type": "Redundancy",
        "value": 6.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.82,1.79],
      "number_observations": 51573,
      "number_observations_unique": 7630,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.341
        },
        {
          "type": "R(meas)",
          "value": 1.452
        },
        {
          "type": "R(pim)",
          "value": 0.551
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "Redundancy",
          "value": 6.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.229
        }
      ]
    }
  ]

}
  

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


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