Data quality metrics extracted from 30dc.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": "d6f14c5049d4492be88b3de192e0fd3b",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 105.374,
    "b": 157.025,
    "c": 183.051,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97620],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [52.69,2.64],
    "number_observations_unique": 89764,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1453
      },
      {
        "type": "R(meas)",
        "value": 0.151
      },
      {
        "type": "R(pim)",
        "value": 0.04079
      },
      {
        "type": "I/SigI",
        "value": 11.40
      },
      {
        "type": "Completeness",
        "value": 98.69
      },
      {
        "type": "Redundancy",
        "value": 13.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.989
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.67,2.64],
      "number_observations_unique": 3257,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.767
        },
        {
          "type": "R(meas)",
          "value": 4.948
        },
        {
          "type": "R(pim)",
          "value": 1.32
        },
        {
          "type": "I/SigI",
          "value": 0.33
        },
        {
          "type": "Redundancy",
          "value": 14
        },
        {
          "type": "CC(1/2)",
          "value": 0.3
        }
      ]
    }
  ]

}
  

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


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