Data quality metrics extracted from 9fcw.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": "9cee2ed3c98a9d7a8eb35f6ba4438f12",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 80.729,
    "b": 107.295,
    "c": 271.228,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.14,1.40],
    "number_observations_unique": 454749,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1278
      },
      {
        "type": "R(meas)",
        "value": 0.1331
      },
      {
        "type": "R(pim)",
        "value": 0.03666
      },
      {
        "type": "I/SigI",
        "value": 11.96
      },
      {
        "type": "Completeness",
        "value": 98.6
      },
      {
        "type": "Redundancy",
        "value": 12.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.45,1.40],
      "number_observations_unique": 41170,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.239
        },
        {
          "type": "R(meas)",
          "value": 2.374
        },
        {
          "type": "R(pim)",
          "value": 0.7563
        },
        {
          "type": "I/SigI",
          "value": 1.47
        },
        {
          "type": "Completeness",
          "value": 89.35
        },
        {
          "type": "CC(1/2)",
          "value": 0.478
        }
      ]
    }
  ]

}
  

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


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