Data quality metrics extracted from 8z28.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": "663b5d4c3e10b87c0fabb8056fa3c732",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 55.453,
    "b": 61.066,
    "c": 68.072,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [34.04,1.35],
    "number_observations_unique": 51043,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05233
      },
      {
        "type": "R(meas)",
        "value": 0.05465
      },
      {
        "type": "R(pim)",
        "value": 0.01552
      },
      {
        "type": "I/SigI",
        "value": 26.02
      },
      {
        "type": "Completeness",
        "value": 99.19
      },
      {
        "type": "Redundancy",
        "value": 11.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.398,1.35],
      "number_observations_unique": 4989,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2938
        },
        {
          "type": "R(meas)",
          "value": 0.3213
        },
        {
          "type": "R(pim)",
          "value": 0.1273
        },
        {
          "type": "I/SigI",
          "value": 4.58
        },
        {
          "type": "CC(1/2)",
          "value": 0.964
        }
      ]
    }
  ]

}
  

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


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