Data quality metrics extracted from 9j0a.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": "33b8e180bc86c2cb34716b7f5e67092a",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 280.535,
    "b": 48.773,
    "c": 290.906,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97915],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,3.30],
    "number_observations_unique": 60932,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.196
      },
      {
        "type": "R(meas)",
        "value": 0.214
      },
      {
        "type": "R(pim)",
        "value": 0.084
      },
      {
        "type": "I/SigI",
        "value": 8.0
      },
      {
        "type": "Completeness",
        "value": 99.99
      },
      {
        "type": "Redundancy",
        "value": 6.45
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.36,3.30],
      "number_observations_unique": 2973,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.406
        },
        {
          "type": "R(meas)",
          "value": 1.523
        },
        {
          "type": "R(pim)",
          "value": 0.580
        },
        {
          "type": "I/SigI",
          "value": 0.9
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 6.76
        },
        {
          "type": "CC(1/2)",
          "value": 0.606
        }
      ]
    }
  ]

}
  

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


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