Data quality metrics extracted from 2xhy.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": "f5bc0a39e50e5ad6c9a2d2c1808f514a",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 73.674,
    "b": 79.424,
    "c": 98.604,
    "alpha": 99.96,
    "beta": 107.21,
    "gamma": 102.83
  },
  "wavelengths": [0.92004],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [22.900,2.300],
    "number_observations_unique": 83032,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.14000
      },
      {
        "type": "I/SigI",
        "value": 7.9000
      },
      {
        "type": "Completeness",
        "value": 92.7
      },
      {
        "type": "Redundancy",
        "value": 4.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.42,2.30],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.53000
        },
        {
          "type": "I/SigI",
          "value": 2.200
        },
        {
          "type": "Completeness",
          "value": 66.3
        },
        {
          "type": "Redundancy",
          "value": 3.90
        }
      ]
    }
  ]

}
  

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


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