Data quality metrics extracted from 8v90.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": "c0ce4c47654d01e215a9a88828a7636e",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 43.100,
    "b": 43.169,
    "c": 115.826,
    "alpha": 99.07,
    "beta": 97.02,
    "gamma": 95.97
  },
  "wavelengths": [1.12700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [27.6,2.08],
    "number_observations_unique": 44735,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.077
      },
      {
        "type": "R(pim)",
        "value": 0.048
      },
      {
        "type": "I/SigI",
        "value": 9.34
      },
      {
        "type": "Completeness",
        "value": 91.56
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.154,2.08],
      "number_observations_unique": 4030,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.44
        },
        {
          "type": "I/SigI",
          "value": 2.35
        },
        {
          "type": "Completeness",
          "value": 81.13
        },
        {
          "type": "Redundancy",
          "value": 3.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.894
        }
      ]
    }
  ]

}
  

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


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