Data quality metrics extracted from 5rkb.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": "518cfb490d391a0601ae7608544f0cf4",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 81.961,
    "b": 27.088,
    "c": 55.643,
    "alpha": 90.00,
    "beta": 99.73,
    "gamma": 90.00
  },
  "wavelengths": [0.97622],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.391,1.290],
    "number_observations": 149675,
    "number_observations_unique": 24858,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.029
      },
      {
        "type": "R(pim)",
        "value": 0.011
      },
      {
        "type": "I/SigI",
        "value": 27.600
      },
      {
        "type": "Completeness",
        "value": 89.000
      },
      {
        "type": "Redundancy",
        "value": 6.000
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.382,1.290],
      "number_observations": 3890,
      "number_observations_unique": 1243,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.668
        },
        {
          "type": "R(pim)",
          "value": 0.362
        },
        {
          "type": "I/SigI",
          "value": 1.800
        },
        {
          "type": "Completeness",
          "value": 38.100
        },
        {
          "type": "Redundancy",
          "value": 3.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.819
        }
      ]
    },
    {
      "resolution_limits": [40.391,3.841],
      "number_observations": 7774,
      "number_observations_unique": 1241,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.020
        },
        {
          "type": "R(pim)",
          "value": 0.008
        },
        {
          "type": "I/SigI",
          "value": 86.800
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.300
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    }
  ]

}
  

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


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