Data quality metrics extracted from 6q69.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": "ffed68869610eebc6f087ce097042a8d",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 54.846,
    "b": 55.767,
    "c": 61.163,
    "alpha": 96.18,
    "beta": 105.54,
    "gamma": 112.82
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.16,2.747],
    "number_observations_unique": 14434,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08092
      },
      {
        "type": "R(meas)",
        "value": 0.1092
      },
      {
        "type": "I/SigI",
        "value": 8.37
      },
      {
        "type": "Completeness",
        "value": 88.55
      },
      {
        "type": "Redundancy",
        "value": 2.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.846,2.747],
      "number_observations_unique": 1306,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.6024
        },
        {
          "type": "I/SigI",
          "value": 1.38
        },
        {
          "type": "Completeness",
          "value": 80.62
        },
        {
          "type": "Redundancy",
          "value": 2.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.72
        }
      ]
    }
  ]

}
  

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


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