Data quality metrics extracted from 1h99.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": "5bf6e42cbc362c0e1eb381638e8ff62f",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 78.25,
    "b": 129.71,
    "c": 50.71,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97900,0.88600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.000,1.550],
    "number_observations_unique": 37674,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07000
      },
      {
        "type": "I/SigI",
        "value": 15.6000
      },
      {
        "type": "Completeness",
        "value": 99.2
      },
      {
        "type": "Redundancy",
        "value": 3.100
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.65,1.55],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.13200
        },
        {
          "type": "I/SigI",
          "value": 4.400
        },
        {
          "type": "Completeness",
          "value": 98.2
        }
      ]
    }
  ]

}
  

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


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