Data quality metrics extracted from 5r8p.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": "9e009b7680bb1b7d87401c3b14e309f0",
  "space_group_name": "P 43",
  "unit_cell": {
    "a": 54.63,
    "b": 54.63,
    "c": 75.31,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.96871],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [54.630,1.530],
    "number_observations": 220191,
    "number_observations_unique": 33363,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.038
      },
      {
        "type": "R(meas)",
        "value": 0.042
      },
      {
        "type": "R(pim)",
        "value": 0.016
      },
      {
        "type": "I/SigI",
        "value": 20.000
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 6.600
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.570,1.530],
      "number_observations": 16253,
      "number_observations_unique": 2459,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.629
        },
        {
          "type": "R(meas)",
          "value": 1.769
        },
        {
          "type": "R(pim)",
          "value": 0.685
        },
        {
          "type": "I/SigI",
          "value": 1.100
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.454
        }
      ]
    },
    {
      "resolution_limits": [54.630,6.840],
      "number_observations": 2420,
      "number_observations_unique": 395,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.021
        },
        {
          "type": "R(meas)",
          "value": 0.023
        },
        {
          "type": "R(pim)",
          "value": 0.009
        },
        {
          "type": "I/SigI",
          "value": 60.300
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 6.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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