Data quality metrics extracted from 5rha.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": "8ff7399fbb13fc64a9d946243c4a32da",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 112.449,
    "b": 52.773,
    "c": 44.515,
    "alpha": 90.00,
    "beta": 103.02,
    "gamma": 90.00
  },
  "wavelengths": [0.91300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [54.780,1.510],
    "number_observations": 123165,
    "number_observations_unique": 38077,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.093
      },
      {
        "type": "R(meas)",
        "value": 0.110
      },
      {
        "type": "R(pim)",
        "value": 0.058
      },
      {
        "type": "I/SigI",
        "value": 6.200
      },
      {
        "type": "Completeness",
        "value": 95.200
      },
      {
        "type": "Redundancy",
        "value": 3.200
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.540,1.510],
      "number_observations": 4058,
      "number_observations_unique": 1700,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.277
        },
        {
          "type": "R(meas)",
          "value": 1.623
        },
        {
          "type": "R(pim)",
          "value": 0.978
        },
        {
          "type": "I/SigI",
          "value": 0.700
        },
        {
          "type": "Completeness",
          "value": 85.700
        },
        {
          "type": "Redundancy",
          "value": 2.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.209
        }
      ]
    },
    {
      "resolution_limits": [54.780,8.270],
      "number_observations": 1017,
      "number_observations_unique": 268,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.032
        },
        {
          "type": "R(meas)",
          "value": 0.037
        },
        {
          "type": "R(pim)",
          "value": 0.018
        },
        {
          "type": "I/SigI",
          "value": 24.300
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 3.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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