Data quality metrics extracted from 9g85.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": "25827434d7eec50e7d7f4698e2ddc0c8",
  "space_group_name": "P 61 2 2",
  "unit_cell": {
    "a": 133.001,
    "b": 133.001,
    "c": 510.767,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.87313],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.70,2.90],
    "number_observations": 2352269,
    "number_observations_unique": 60601,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.426
      },
      {
        "type": "R(meas)",
        "value": 0.432
      },
      {
        "type": "R(pim)",
        "value": 0.069
      },
      {
        "type": "I/SigI",
        "value": 11.3
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 38.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.98,2.90],
      "number_observations": 175010,
      "number_observations_unique": 4360,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.999
        },
        {
          "type": "R(meas)",
          "value": 5.063
        },
        {
          "type": "R(pim)",
          "value": 0.793
        },
        {
          "type": "I/SigI",
          "value": 1.2
        },
        {
          "type": "Redundancy",
          "value": 40.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.608
        }
      ]
    }
  ]

}
  

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


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