Data quality metrics extracted from 2c77.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": "89c65ee0f18e0e2e177836c63b085652",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 43.32,
    "b": 94.58,
    "c": 104.38,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.81330],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.000,1.600],
    "number_observations_unique": 57292,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06000
      },
      {
        "type": "I/SigI",
        "value": 33.3000
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 4.600
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.63,1.60],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.25000
        },
        {
          "type": "I/SigI",
          "value": 4.300
        },
        {
          "type": "Completeness",
          "value": 96.5
        },
        {
          "type": "Redundancy",
          "value": 2.90
        }
      ]
    }
  ]

}
  

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


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