Data quality metrics extracted from 5rgn.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": "bde8c33a54c307f31b610129f8676aec",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 112.75,
    "b": 52.81,
    "c": 44.52,
    "alpha": 90.00,
    "beta": 103.09,
    "gamma": 90.00
  },
  "wavelengths": [0.91260],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [55.010,1.830],
    "number_observations": 78791,
    "number_observations_unique": 22508,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.243
      },
      {
        "type": "R(meas)",
        "value": 0.287
      },
      {
        "type": "R(pim)",
        "value": 0.149
      },
      {
        "type": "I/SigI",
        "value": 3.900
      },
      {
        "type": "Completeness",
        "value": 99.200
      },
      {
        "type": "Redundancy",
        "value": 3.500
      },
      {
        "type": "CC(1/2)",
        "value": 0.973
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.870,1.830],
      "number_observations": 4604,
      "number_observations_unique": 1353,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.758
        },
        {
          "type": "R(meas)",
          "value": 2.117
        },
        {
          "type": "R(pim)",
          "value": 1.152
        },
        {
          "type": "I/SigI",
          "value": 0.800
        },
        {
          "type": "Completeness",
          "value": 97.000
        },
        {
          "type": "Redundancy",
          "value": 3.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.285
        }
      ]
    },
    {
      "resolution_limits": [55.010,8.970],
      "number_observations": 806,
      "number_observations_unique": 212,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "R(meas)",
          "value": 0.053
        },
        {
          "type": "R(pim)",
          "value": 0.026
        },
        {
          "type": "I/SigI",
          "value": 12.300
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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