Data quality metrics extracted from 5n78.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": "46a9d5ddae0c85a708eb1b34865934d0",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 73.721,
    "b": 117.316,
    "c": 91.858,
    "alpha": 90.00,
    "beta": 103.14,
    "gamma": 90.00
  },
  "wavelengths": [0.97900,1.60490],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [89.45,2.85],
    "number_observations_unique": 35009,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.121
      },
      {
        "type": "I/SigI",
        "value": 9.7
      },
      {
        "type": "Completeness",
        "value": 98.2
      },
      {
        "type": "Redundancy",
        "value": 5.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.00,2.85],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.910
        },
        {
          "type": "Completeness",
          "value": 89.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.671
        }
      ]
    }
  ]

}
  

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


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