Data quality metrics extracted from 4z0r.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": "766c244b5564100408f38e81d02cd4d1",
  "space_group_name": "H 3",
  "unit_cell": {
    "a": 126.659,
    "b": 126.659,
    "c": 63.271,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97860],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41.442,1.750],
    "number_observations": 209970,
    "number_observations_unique": 37974,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.073
      },
      {
        "type": "R(pim)",
        "value": 0.035
      },
      {
        "type": "I/SigI",
        "value": 14.300
      },
      {
        "type": "Completeness",
        "value": 99.400
      },
      {
        "type": "Redundancy",
        "value": 5.500
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.780,1.750],
      "number_observations": 11990,
      "number_observations_unique": 2114,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.039
        },
        {
          "type": "R(pim)",
          "value": 0.481
        },
        {
          "type": "I/SigI",
          "value": 1.500
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.665
        }
      ]
    },
    {
      "resolution_limits": [41.440,9.090],
      "number_observations": 1320,
      "number_observations_unique": 260,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "R(pim)",
          "value": 0.025
        },
        {
          "type": "I/SigI",
          "value": 37.900
        },
        {
          "type": "Completeness",
          "value": 94.300
        },
        {
          "type": "Redundancy",
          "value": 5.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 41.442 41.440 41.440
High resolution limit [Å] 1.750 9.090 9.090
R(merge) 0.0730 0.0490 0.0490
R(pim) 0.0350 0.0250 0.0250
CC(1/2) 0.998 0.986 0.986
Completeness [%] 99.4 94.3 94.3
Multiplicity 5.5 5.1 5.1


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

Resolution [Å] R(merge) R(pim) CC(1/2) Completeness [%] Multiplicity
41.440-9.090 0.0490 0.0250 0.986 94.3 5.1
1.780-1.750 1.0390 0.4810 0.665 100.0 5.7