Data quality metrics extracted from 6xtv.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": "aec7194a10d4c3981118b4b2045ebc38",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 123.95,
    "b": 123.95,
    "c": 111.35,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97966],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47,3.00],
    "number_observations_unique": 17846,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1299
      },
      {
        "type": "R(meas)",
        "value": 0.1399
      },
      {
        "type": "R(pim)",
        "value": 0.05121
      },
      {
        "type": "I/SigI",
        "value": 15.77
      },
      {
        "type": "Completeness",
        "value": 99.65
      },
      {
        "type": "Redundancy",
        "value": 7.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.111,3.0],
      "number_observations_unique": 12966,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.94
        },
        {
          "type": "R(meas)",
          "value": 2.084
        },
        {
          "type": "R(pim)",
          "value": 0.7546
        },
        {
          "type": "I/SigI",
          "value": 1.15
        },
        {
          "type": "CC(1/2)",
          "value": 0.428
        }
      ]
    }
  ]

}
  

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


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