Data quality metrics extracted from 9v3a.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": "085eeef52bb28458b02755b6b2d9d461",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 29.501,
    "b": 65.893,
    "c": 29.513,
    "alpha": 90.0,
    "beta": 90.7,
    "gamma": 90.0
  },
  "wavelengths": [1.54184],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [26.93,2.0],
    "number_observations_unique": 7301,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 16.88
      },
      {
        "type": "Completeness",
        "value": 98.96
      },
      {
        "type": "Redundancy",
        "value": 3.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.13,2.0],
      "number_observations_unique": 1121,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1238
        },
        {
          "type": "R(meas)",
          "value": 0.1481
        },
        {
          "type": "R(pim)",
          "value": 0.0798
        },
        {
          "type": "I/SigI",
          "value": 6.83
        },
        {
          "type": "CC(1/2)",
          "value": 0.969
        }
      ]
    }
  ]

}
  

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


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