Data quality metrics extracted from 1h1l.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": "8e9332b6fcc91eeec192f83c67511b5c",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 204.06,
    "b": 75.06,
    "c": 164.26,
    "alpha": 90.00,
    "beta": 123.95,
    "gamma": 90.00
  },
  "wavelengths": [0.93600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.000,1.900],
    "number_observations_unique": 154203,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09400
      },
      {
        "type": "I/SigI",
        "value": 15.5000
      },
      {
        "type": "Completeness",
        "value": 94.2
      },
      {
        "type": "Redundancy",
        "value": 3.900
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.93,1.90],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.21400
        },
        {
          "type": "I/SigI",
          "value": 3.600
        },
        {
          "type": "Completeness",
          "value": 85.2
        }
      ]
    }
  ]

}
  

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


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