Data quality metrics extracted from 8x78.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": "63dca3dd476c11e22bc9964e7c7cf056",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 142.588,
    "b": 87.671,
    "c": 159.239,
    "alpha": 90.00,
    "beta": 115.79,
    "gamma": 90.00
  },
  "wavelengths": [0.98700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [78.88,2.36],
    "number_observations_unique": 145724,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.094
      },
      {
        "type": "R(pim)",
        "value": 0.042
      },
      {
        "type": "I/SigI",
        "value": 11.5
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 6.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.48,2.36],
      "number_observations_unique": 21232,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 2.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.832
        }
      ]
    }
  ]

}
  

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


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