Data quality metrics extracted from 1vkh.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": "d05cc1e8eb1c0a0143d011140507d52c",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 41.967,
    "b": 85.959,
    "c": 70.479,
    "alpha": 90.00,
    "beta": 97.71,
    "gamma": 90.00
  },
  "wavelengths": [0.94640,0.97933,0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,1.85],
    "number_observations_unique": 42225,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.069
      },
      {
        "type": "I/SigI",
        "value": 17.88
      },
      {
        "type": "Completeness",
        "value": 99.77
      },
      {
        "type": "Redundancy",
        "value": 3.89
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.92,1.85],
      "number_observations_unique": 4159,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.343
        },
        {
          "type": "I/SigI",
          "value": 3.57
        },
        {
          "type": "Completeness",
          "value": 98.39
        },
        {
          "type": "Redundancy",
          "value": 3.57
        }
      ]
    }
  ]

}
  

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


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