Data quality metrics extracted from 5q8i.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": "59dcd2482a33b3715f9641f248c6218b",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 51.98,
    "b": 56.98,
    "c": 115.16,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [56.980,1.350],
    "number_observations": 475416,
    "number_observations_unique": 75943,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.048
      },
      {
        "type": "R(meas)",
        "value": 0.053
      },
      {
        "type": "R(pim)",
        "value": 0.021
      },
      {
        "type": "I/SigI",
        "value": 14.700
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 6.300
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.390,1.350],
      "number_observations": 28348,
      "number_observations_unique": 5549,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.374
        },
        {
          "type": "R(meas)",
          "value": 1.534
        },
        {
          "type": "R(pim)",
          "value": 0.673
        },
        {
          "type": "I/SigI",
          "value": 1.100
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.524
        }
      ]
    },
    {
      "resolution_limits": [56.980,6.040],
      "number_observations": 5690,
      "number_observations_unique": 986,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
        },
        {
          "type": "R(meas)",
          "value": 0.034
        },
        {
          "type": "R(pim)",
          "value": 0.014
        },
        {
          "type": "I/SigI",
          "value": 51.500
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 56.980 56.980
High resolution limit [Å] 1.350 6.040
R(merge) 0.0480 0.0310
R(meas) 0.0530 0.0340
R(pim) 0.0210 0.0140
CC(1/2) 0.999 0.998
Completeness [%] 100.0 99.9
Multiplicity 6.3 5.8


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
56.980-6.040 0.0310 0.0340 0.0140 0.998 99.9 5.8
1.390-1.350 1.3740 1.5340 0.6730 0.524 100.0 5.1