Data quality metrics extracted from 5rfz.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": "e3424a6195bf06aa15283ec62d98a4d2",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 111.565,
    "b": 52.545,
    "c": 44.523,
    "alpha": 90.00,
    "beta": 102.78,
    "gamma": 90.00
  },
  "wavelengths": [0.91260],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [54.420,1.680],
    "number_observations": 100362,
    "number_observations_unique": 28694,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.146
      },
      {
        "type": "R(meas)",
        "value": 0.172
      },
      {
        "type": "R(pim)",
        "value": 0.089
      },
      {
        "type": "I/SigI",
        "value": 4.900
      },
      {
        "type": "Completeness",
        "value": 99.700
      },
      {
        "type": "Redundancy",
        "value": 3.500
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.710,1.680],
      "number_observations": 4343,
      "number_observations_unique": 1458,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.245
        },
        {
          "type": "R(meas)",
          "value": 1.512
        },
        {
          "type": "R(pim)",
          "value": 0.844
        },
        {
          "type": "I/SigI",
          "value": 0.800
        },
        {
          "type": "Completeness",
          "value": 98.400
        },
        {
          "type": "Redundancy",
          "value": 3.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.360
        }
      ]
    },
    {
      "resolution_limits": [54.420,9.050],
      "number_observations": 777,
      "number_observations_unique": 203,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "R(meas)",
          "value": 0.057
        },
        {
          "type": "R(pim)",
          "value": 0.028
        },
        {
          "type": "I/SigI",
          "value": 19.900
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 54.420 54.420
High resolution limit [Å] 1.680 9.050
R(merge) 0.1460 0.0490
R(meas) 0.1720 0.0570
R(pim) 0.0890 0.0280
CC(1/2) 0.993 0.997
Completeness [%] 99.7 99.7
Multiplicity 3.5 3.8


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
54.420-9.050 0.0490 0.0570 0.0280 0.997 99.7 3.8
1.710-1.680 1.2450 1.5120 0.8440 0.360 98.4 3.0