Data quality metrics extracted from 7jw3.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": "3aa3a7a7530de0612a848af92d1542ce",
  "space_group_name": "P 62",
  "unit_cell": {
    "a": 219.224,
    "b": 219.224,
    "c": 39.382,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30,3.05],
    "number_observations_unique": 21285,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1599
      },
      {
        "type": "R(meas)",
        "value": 0.164
      },
      {
        "type": "R(pim)",
        "value": 0.03625
      },
      {
        "type": "I/SigI",
        "value": 18.12
      },
      {
        "type": "Completeness",
        "value": 99.73
      },
      {
        "type": "Redundancy",
        "value": 20.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.159,3.05],
      "number_observations_unique": 2058,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.551
        },
        {
          "type": "R(meas)",
          "value": 3.642
        },
        {
          "type": "R(pim)",
          "value": 0.8052
        },
        {
          "type": "I/SigI",
          "value": 1.05
        },
        {
          "type": "Completeness",
          "value": 99.28
        },
        {
          "type": "Redundancy",
          "value": 20.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.524
        }
      ]
    }
  ]

}
  

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


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