Data quality metrics extracted from 2xh2.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": "1fdc09b7ce9e20903dafe679788666d5",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 64.72,
    "b": 82.54,
    "c": 95.61,
    "alpha": 89.41,
    "beta": 71.31,
    "gamma": 84.80
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.00,1.79],
    "number_observations_unique": 162601,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.13
      },
      {
        "type": "I/SigI",
        "value": 12.74
      },
      {
        "type": "Completeness",
        "value": 93.1
      },
      {
        "type": "Redundancy",
        "value": 2.01
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.90,1.79],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.49
        },
        {
          "type": "I/SigI",
          "value": 3.48
        },
        {
          "type": "Completeness",
          "value": 87.3
        },
        {
          "type": "Redundancy",
          "value": 1.77
        }
      ]
    }
  ]

}
  

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


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