Data quality metrics extracted from 9pu3.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": "ce2bfb05af4b65372f79f4085b34c4d8",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 63.754,
    "b": 37.232,
    "c": 63.070,
    "alpha": 90.00,
    "beta": 91.22,
    "gamma": 90.00
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [63.06,1.7],
    "number_observations_unique": 15867,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06533
      },
      {
        "type": "R(meas)",
        "value": 0.07851
      },
      {
        "type": "I/SigI",
        "value": 15.96
      },
      {
        "type": "Completeness",
        "value": 96.09
      },
      {
        "type": "Redundancy",
        "value": 3.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.761,1.7],
      "number_observations_unique": 1502,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1514
        },
        {
          "type": "R(meas)",
          "value": 0.1834
        },
        {
          "type": "I/SigI",
          "value": 6.63
        },
        {
          "type": "Completeness",
          "value": 91.70
        },
        {
          "type": "Redundancy",
          "value": 6.63
        },
        {
          "type": "CC(1/2)",
          "value": 0.978
        }
      ]
    }
  ]

}
  

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


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