Data quality metrics extracted from 5rwq.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": "224332f31a9ffa46b162d81f428cf21a",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 62.73,
    "b": 79.50,
    "c": 89.52,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91589],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [79.500,1.320],
    "number_observations": 678593,
    "number_observations_unique": 104850,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.104
      },
      {
        "type": "R(meas)",
        "value": 0.113
      },
      {
        "type": "R(pim)",
        "value": 0.044
      },
      {
        "type": "I/SigI",
        "value": 8.800
      },
      {
        "type": "Completeness",
        "value": 99.300
      },
      {
        "type": "Redundancy",
        "value": 6.500
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.350,1.320],
      "number_observations": 42198,
      "number_observations_unique": 7611,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.866
        },
        {
          "type": "R(meas)",
          "value": 2.063
        },
        {
          "type": "R(pim)",
          "value": 0.865
        },
        {
          "type": "I/SigI",
          "value": 0.900
        },
        {
          "type": "Completeness",
          "value": 98.300
        },
        {
          "type": "Redundancy",
          "value": 5.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.345
        }
      ]
    },
    {
      "resolution_limits": [79.500,5.900],
      "number_observations": 8407,
      "number_observations_unique": 1340,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "R(meas)",
          "value": 0.062
        },
        {
          "type": "R(pim)",
          "value": 0.024
        },
        {
          "type": "I/SigI",
          "value": 27.200
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

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


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