Data quality metrics extracted from 9p4a.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": "9b7bfdc23475dc0127e4d4802b78ca28",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 43.600,
    "b": 84.807,
    "c": 82.181,
    "alpha": 90.000,
    "beta": 102.879,
    "gamma": 90.000
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.00,3.00],
    "number_observations_unique": 10646,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.161
      },
      {
        "type": "R(pim)",
        "value": 0.08
      },
      {
        "type": "I/SigI",
        "value": 13.9
      },
      {
        "type": "Completeness",
        "value": 85.3
      },
      {
        "type": "Redundancy",
        "value": 4.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.943
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.05,3.00],
      "number_observations_unique": 588,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.761
        },
        {
          "type": "R(pim)",
          "value": 0.361
        },
        {
          "type": "I/SigI",
          "value": 2.01
        },
        {
          "type": "Completeness",
          "value": 98.3
        },
        {
          "type": "Redundancy",
          "value": 4.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.815
        }
      ]
    }
  ]

}
  

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


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