Data quality metrics extracted from 5rjz.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": "da9e28e926cc889cf9855cd3c138136e",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 82.143,
    "b": 27.211,
    "c": 55.748,
    "alpha": 90.00,
    "beta": 100.16,
    "gamma": 90.00
  },
  "wavelengths": [0.97622],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.428,1.281],
    "number_observations": 146529,
    "number_observations_unique": 24575,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.028
      },
      {
        "type": "R(pim)",
        "value": 0.011
      },
      {
        "type": "I/SigI",
        "value": 27.700
      },
      {
        "type": "Completeness",
        "value": 89.300
      },
      {
        "type": "Redundancy",
        "value": 6.000
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.385,1.281],
      "number_observations": 4028,
      "number_observations_unique": 1229,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.373
        },
        {
          "type": "R(pim)",
          "value": 0.195
        },
        {
          "type": "I/SigI",
          "value": 2.700
        },
        {
          "type": "Completeness",
          "value": 43.300
        },
        {
          "type": "Redundancy",
          "value": 3.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.950
        }
      ]
    },
    {
      "resolution_limits": [40.428,3.866],
      "number_observations": 7628,
      "number_observations_unique": 1228,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.018
        },
        {
          "type": "R(pim)",
          "value": 0.007
        },
        {
          "type": "I/SigI",
          "value": 85.200
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.200
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    }
  ]

}
  

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


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