Data quality metrics extracted from 7r0o.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": "4bf812a795e931d7fec8e27a2bfa8932",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 78.773,
    "b": 92.147,
    "c": 101.761,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.96770],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.78,2],
    "number_observations_unique": 50299,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05168
      },
      {
        "type": "I/SigI",
        "value": 8.40
      },
      {
        "type": "Completeness",
        "value": 98.96
      },
      {
        "type": "Redundancy",
        "value": 2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.072,2.0],
      "number_observations_unique": 9858,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3938
        },
        {
          "type": "I/SigI",
          "value": 1.95
        },
        {
          "type": "Completeness",
          "value": 99.28
        }
      ]
    }
  ]

}
  

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


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