Data quality metrics extracted from 6uml.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": "2c647fed5e5797fd616dbc1d1b9d8619",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 77.409,
    "b": 127.725,
    "c": 110.174,
    "alpha": 90.000,
    "beta": 109.694,
    "gamma": 90.000
  },
  "wavelengths": [0.97931],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.7,3.58],
    "number_observations_unique": 23629,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1637
      },
      {
        "type": "R(meas)",
        "value": 0.1948
      },
      {
        "type": "R(pim)",
        "value": 0.1042
      },
      {
        "type": "I/SigI",
        "value": 5.04
      },
      {
        "type": "Completeness",
        "value": 98.42
      },
      {
        "type": "Redundancy",
        "value": 3.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.964
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.64,3.58],
      "number_observations_unique": 2336,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5699
        },
        {
          "type": "R(meas)",
          "value": 0.6734
        },
        {
          "type": "R(pim)",
          "value": 0.3551
        },
        {
          "type": "Completeness",
          "value": 98.11
        },
        {
          "type": "Redundancy",
          "value": 3.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.734
        }
      ]
    }
  ]

}
  

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


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