Data quality metrics extracted from 8brz.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": "f029488c7e98f779c0d4ebd302837655",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 56.41,
    "b": 94.08,
    "c": 81.71,
    "alpha": 90.00,
    "beta": 102.63,
    "gamma": 90.00
  },
  "wavelengths": [0.47700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41.28,1.7],
    "number_observations_unique": 88642,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.2875
      },
      {
        "type": "R(meas)",
        "value": 0.3072
      },
      {
        "type": "R(pim)",
        "value": 0.1042
      },
      {
        "type": "I/SigI",
        "value": 5.64
      },
      {
        "type": "Completeness",
        "value": 96.35
      },
      {
        "type": "Redundancy",
        "value": 7.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.983
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.761,1.7],
      "number_observations_unique": 8015,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.751
        },
        {
          "type": "R(meas)",
          "value": 1.892
        },
        {
          "type": "R(pim)",
          "value": 0.6563
        },
        {
          "type": "I/SigI",
          "value": 0.95
        },
        {
          "type": "Completeness",
          "value": 82.55
        },
        {
          "type": "Redundancy",
          "value": 6.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.242
        }
      ]
    }
  ]

}
  

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


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