Data quality metrics extracted from 5rz4.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": "72fe2085b28c43010578760a0518e49b",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 38.42,
    "b": 77.32,
    "c": 99.70,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91587],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [77.320,1.610],
    "number_observations": 244149,
    "number_observations_unique": 39338,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.074
      },
      {
        "type": "R(meas)",
        "value": 0.080
      },
      {
        "type": "R(pim)",
        "value": 0.032
      },
      {
        "type": "I/SigI",
        "value": 12.500
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 6.200
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.650,1.610],
      "number_observations": 14688,
      "number_observations_unique": 2848,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.362
        },
        {
          "type": "R(meas)",
          "value": 1.521
        },
        {
          "type": "R(pim)",
          "value": 0.666
        },
        {
          "type": "I/SigI",
          "value": 1.100
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.466
        }
      ]
    },
    {
      "resolution_limits": [77.320,7.200],
      "number_observations": 2924,
      "number_observations_unique": 526,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
        },
        {
          "type": "R(meas)",
          "value": 0.034
        },
        {
          "type": "R(pim)",
          "value": 0.014
        },
        {
          "type": "I/SigI",
          "value": 39.400
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 5.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 77.320 77.320
High resolution limit [Å] 1.610 7.200
R(merge) 0.0740 0.0310
R(meas) 0.0800 0.0340
R(pim) 0.0320 0.0140
CC(1/2) 0.999 0.999
Completeness [%] 99.9 99.6
Multiplicity 6.2 5.6


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
77.320-7.200 0.0310 0.0340 0.0140 0.999 99.6 5.6
1.650-1.610 1.3620 1.5210 0.6660 0.466 99.9 5.2