Data quality metrics extracted from 3hl9.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": "e5db9a4215ef0b435c8a193b784eb45b",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 56.721,
    "b": 79.744,
    "c": 104.115,
    "alpha": 94.11,
    "beta": 91.56,
    "gamma": 106.79
  },
  "wavelengths": [0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [76.03,3.400],
    "number_observations_unique": 23701,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.23500
      },
      {
        "type": "I/SigI",
        "value": 4.9740
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "Redundancy",
        "value": 3.700
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.66,3.40],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.52700
        },
        {
          "type": "I/SigI",
          "value": 2.900
        },
        {
          "type": "Completeness",
          "value": 98.9
        },
        {
          "type": "Redundancy",
          "value": 3.70
        }
      ]
    }
  ]

}
  

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


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