Data quality metrics extracted from 8bit.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": "77bdf703d9aa10fd7441b9ef390962af",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 105.806,
    "b": 93.190,
    "c": 131.685,
    "alpha": 90.00,
    "beta": 91.12,
    "gamma": 90.00
  },
  "wavelengths": [0.97630],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [52.95,3.10],
    "number_observations_unique": 23358,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.207
      },
      {
        "type": "R(meas)",
        "value": 0.246
      },
      {
        "type": "R(pim)",
        "value": 0.132
      },
      {
        "type": "I/SigI",
        "value": 4.2
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 3.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.981
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.31,3.10],
      "number_observations": 14154,
      "number_observations_unique": 4194,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.132
        },
        {
          "type": "R(meas)",
          "value": 1.350
        },
        {
          "type": "R(pim)",
          "value": 0.728
        },
        {
          "type": "I/SigI",
          "value": 1.0
        },
        {
          "type": "Redundancy",
          "value": 3.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.735
        }
      ]
    }
  ]

}
  

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


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