Data quality metrics extracted from 5raj.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": "5e655d613e924e5e92ad8c7aa3f66bd5",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 57.560,
    "b": 93.330,
    "c": 93.897,
    "alpha": 90.00,
    "beta": 108.12,
    "gamma": 90.00
  },
  "wavelengths": [0.92819],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [64.500,1.610],
    "number_observations": 407367,
    "number_observations_unique": 119893,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.053
      },
      {
        "type": "R(meas)",
        "value": 0.063
      },
      {
        "type": "R(pim)",
        "value": 0.034
      },
      {
        "type": "I/SigI",
        "value": 12.800
      },
      {
        "type": "Completeness",
        "value": 98.500
      },
      {
        "type": "Redundancy",
        "value": 3.400
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.650,1.610],
      "number_observations": 30487,
      "number_observations_unique": 8854,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.033
        },
        {
          "type": "R(meas)",
          "value": 1.224
        },
        {
          "type": "R(pim)",
          "value": 0.649
        },
        {
          "type": "I/SigI",
          "value": 1.300
        },
        {
          "type": "Completeness",
          "value": 98.500
        },
        {
          "type": "Redundancy",
          "value": 3.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.525
        }
      ]
    },
    {
      "resolution_limits": [64.500,7.200],
      "number_observations": 5066,
      "number_observations_unique": 1401,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.023
        },
        {
          "type": "R(meas)",
          "value": 0.027
        },
        {
          "type": "R(pim)",
          "value": 0.014
        },
        {
          "type": "I/SigI",
          "value": 47.500
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 3.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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