Data quality metrics extracted from 5ren.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": "9d3c76b1215e2e62b797ef2b11b699df",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 113.544,
    "b": 52.903,
    "c": 44.618,
    "alpha": 90.00,
    "beta": 103.16,
    "gamma": 90.00
  },
  "wavelengths": [0.91260],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [55.100,2.140],
    "number_observations": 46185,
    "number_observations_unique": 14054,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.277
      },
      {
        "type": "R(meas)",
        "value": 0.332
      },
      {
        "type": "R(pim)",
        "value": 0.180
      },
      {
        "type": "I/SigI",
        "value": 3.600
      },
      {
        "type": "Completeness",
        "value": 99.200
      },
      {
        "type": "Redundancy",
        "value": 3.300
      },
      {
        "type": "CC(1/2)",
        "value": 0.924
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.210,2.140],
      "number_observations": 3338,
      "number_observations_unique": 1140,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.324
        },
        {
          "type": "R(meas)",
          "value": 1.656
        },
        {
          "type": "R(pim)",
          "value": 0.976
        },
        {
          "type": "I/SigI",
          "value": 1.000
        },
        {
          "type": "Completeness",
          "value": 98.000
        },
        {
          "type": "Redundancy",
          "value": 2.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.181
        }
      ]
    },
    {
      "resolution_limits": [55.100,9.090],
      "number_observations": 737,
      "number_observations_unique": 203,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.061
        },
        {
          "type": "R(meas)",
          "value": 0.071
        },
        {
          "type": "R(pim)",
          "value": 0.036
        },
        {
          "type": "I/SigI",
          "value": 9.600
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    }
  ]

}
  

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


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