Data quality metrics extracted from 9t00.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "2c49fc0a2998d43cbb5a39d125ff0c52",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 51.416,
    "b": 51.567,
    "c": 65.992,
    "alpha": 82.900,
    "beta": 85.326,
    "gamma": 65.901
  },
  "wavelengths": [0.78380],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.76,2.80],
    "number_observations_unique": 15006,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.244
      },
      {
        "type": "I/SigI",
        "value": 3.0
      },
      {
        "type": "Completeness",
        "value": 99.2
      },
      {
        "type": "Redundancy",
        "value": 3.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.950
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.95,2.80],
      "number_observations_unique": 2190,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.032
        },
        {
          "type": "I/SigI",
          "value": 0.7
        },
        {
          "type": "Completeness",
          "value": 98.9
        },
        {
          "type": "Redundancy",
          "value": 3.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.432
        }
      ]
    }
  ]

}
  

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


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