Data quality metrics extracted from 7r8x.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": "c078c8a4261fe7b0ad71dd0845dbc1c6",
  "space_group_name": "P 61",
  "unit_cell": {
    "a": 86.157,
    "b": 86.157,
    "c": 38.052,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.95374],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [33.90,2.30],
    "number_observations_unique": 7318,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04408
      },
      {
        "type": "R(meas)",
        "value": 0.04655
      },
      {
        "type": "R(pim)",
        "value": 0.01481
      },
      {
        "type": "I/SigI",
        "value": 31.0
      },
      {
        "type": "Completeness",
        "value": 99.78
      },
      {
        "type": "Redundancy",
        "value": 9.6
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.383,2.301],
      "number_observations_unique": 724,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.4924
        },
        {
          "type": "R(meas)",
          "value": 0.539
        },
        {
          "type": "I/SigI",
          "value": 2.81
        },
        {
          "type": "Completeness",
          "value": 99.45
        },
        {
          "type": "CC(1/2)",
          "value": 0.904
        }
      ]
    }
  ]

}
  

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


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