Data quality metrics extracted from 7r3x.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": "7e40bf7d1968fcc2c6d125d5bff6086a",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 221.505,
    "b": 70.685,
    "c": 111.639,
    "alpha": 90.00,
    "beta": 100.14,
    "gamma": 90.00
  },
  "wavelengths": [0.97625],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.780,2.46],
    "number_observations_unique": 61906,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.944
      },
      {
        "type": "I/SigI",
        "value": 7.95
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 4.25
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.65,2.46],
      "number_observations_unique": 12304,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.944
        },
        {
          "type": "I/SigI",
          "value": 0.97
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 4.25
        },
        {
          "type": "CC(1/2)",
          "value": 0.596
        }
      ]
    }
  ]

}
  

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


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