Data quality metrics extracted from 5e3h.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": "e9ecc7ebcff66439f113aa799998e3c0",
  "space_group_name": "P 65 2 2",
  "unit_cell": {
    "a": 176.030,
    "b": 176.030,
    "c": 108.071,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.7],
    "number_observations_unique": 27622,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.240
      },
      {
        "type": "R(pim)",
        "value": 0.039
      },
      {
        "type": "I/SigI",
        "value": 16.9
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 38.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.85,2.70],
      "number_observations": 138109,
      "number_observations_unique": 3949,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.840
        },
        {
          "type": "R(pim)",
          "value": 0.480
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 35.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.415
        }
      ]
    },
    {
      "resolution_limits": [50.00,8.54],
      "number_observations": 35458,
      "number_observations_unique": 1002,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "R(pim)",
          "value": 0.011
        },
        {
          "type": "I/SigI",
          "value": 57.5
        },
        {
          "type": "Completeness",
          "value": 99.4
        },
        {
          "type": "Redundancy",
          "value": 35.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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