Data quality metrics extracted from 9pvw.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": "78f8fd1d06d08c39463b9c2ac6907da6",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 166.046,
    "b": 223.243,
    "c": 192.764,
    "alpha": 90.00,
    "beta": 100.48,
    "gamma": 90.00
  },
  "wavelengths": [0.97741],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.37,3.56],
    "number_observations": 576376,
    "number_observations_unique": 82439,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.537
      },
      {
        "type": "R(meas)",
        "value": 0.581
      },
      {
        "type": "R(pim)",
        "value": 0.218
      },
      {
        "type": "I/SigI",
        "value": 4.7
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 7.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.978
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.63,3.56],
      "number_observations": 32805,
      "number_observations_unique": 4518,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.967
        },
        {
          "type": "R(meas)",
          "value": 4.272
        },
        {
          "type": "R(pim)",
          "value": 1.577
        },
        {
          "type": "I/SigI",
          "value": 0.5
        },
        {
          "type": "Redundancy",
          "value": 7.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.220
        }
      ]
    }
  ]

}
  

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


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