Data quality metrics extracted from 8d4s.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": "c3f6837147025c694b4325175e8115fc",
  "space_group_name": "F 2 2 2",
  "unit_cell": {
    "a": 158.189,
    "b": 165.650,
    "c": 321.934,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,1.950],
    "number_observations": 1054098,
    "number_observations_unique": 152193,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.232
      },
      {
        "type": "R(meas)",
        "value": 0.251
      },
      {
        "type": "R(pim)",
        "value": 0.093
      },
      {
        "type": "I/SigI",
        "value": 9.100
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 6.900
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.020,1.950],
      "number_observations_unique": 15090,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.642
        },
        {
          "type": "R(meas)",
          "value": 1.835
        },
        {
          "type": "R(pim)",
          "value": 0.807
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 4.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.466
        }
      ]
    },
    {
      "resolution_limits": [2.100,2.020],
      "number_observations_unique": 15062,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.488
        },
        {
          "type": "R(meas)",
          "value": 1.645
        },
        {
          "type": "R(pim)",
          "value": 0.689
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 5.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.538
        }
      ]
    },
    {
      "resolution_limits": [2.200,2.100],
      "number_observations_unique": 15160,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.424
        },
        {
          "type": "R(meas)",
          "value": 1.533
        },
        {
          "type": "R(pim)",
          "value": 0.564
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.771
        }
      ]
    },
    {
      "resolution_limits": [2.310,2.200],
      "number_observations_unique": 15145,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.074
        },
        {
          "type": "R(meas)",
          "value": 1.152
        },
        {
          "type": "R(pim)",
          "value": 0.414
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.869
        }
      ]
    },
    {
      "resolution_limits": [2.460,2.310],
      "number_observations_unique": 15170,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.730
        },
        {
          "type": "R(meas)",
          "value": 0.783
        },
        {
          "type": "R(pim)",
          "value": 0.283
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.909
        }
      ]
    },
    {
      "resolution_limits": [2.650,2.460],
      "number_observations_unique": 15181,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.487
        },
        {
          "type": "R(meas)",
          "value": 0.524
        },
        {
          "type": "R(pim)",
          "value": 0.192
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.936
        }
      ]
    },
    {
      "resolution_limits": [2.910,2.650],
      "number_observations_unique": 15198,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.299
        },
        {
          "type": "R(meas)",
          "value": 0.323
        },
        {
          "type": "R(pim)",
          "value": 0.121
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.965
        }
      ]
    },
    {
      "resolution_limits": [3.330,2.910],
      "number_observations_unique": 15263,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.169
        },
        {
          "type": "R(meas)",
          "value": 0.182
        },
        {
          "type": "R(pim)",
          "value": 0.066
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.976
        }
      ]
    },
    {
      "resolution_limits": [4.200,3.330],
      "number_observations_unique": 15328,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.145
        },
        {
          "type": "R(meas)",
          "value": 0.155
        },
        {
          "type": "R(pim)",
          "value": 0.056
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.982
        }
      ]
    },
    {
      "resolution_limits": [50.000,4.200],
      "number_observations_unique": 15596,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.231
        },
        {
          "type": "R(meas)",
          "value": 0.249
        },
        {
          "type": "R(pim)",
          "value": 0.093
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 7.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.962
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 50.000 50.000 2.100
High resolution limit [Å] 1.950 4.200 2.020
R(merge) 0.2320 0.2310 1.4880
R(meas) 0.2510 0.2490 1.6450
R(pim) 0.0930 0.0930 0.6890
CC(1/2) - 0.962 0.538
Completeness [%] 99.9 99.8 99.8
Multiplicity 6.9 7.1 5.3


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
50.000-4.200 0.2310 0.2490 0.0930 0.962 99.8 7.1
4.200-3.330 0.1450 0.1550 0.0560 0.982 100.0 7.8
3.330-2.910 0.1690 0.1820 0.0660 0.976 100.0 7.3
2.910-2.650 0.2990 0.3230 0.1210 0.965 100.0 7.0
2.650-2.460 0.4870 0.5240 0.1920 0.936 100.0 7.4
2.460-2.310 0.7300 0.7830 0.2830 0.909 100.0 7.6
2.310-2.200 1.0740 1.1520 0.4140 0.869 100.0 7.7
2.200-2.100 1.4240 1.5330 0.5640 0.771 100.0 7.3
2.100-2.020 1.4880 1.6450 0.6890 0.538 99.8 5.3
2.020-1.950 1.6420 1.8350 0.8070 0.466 99.9 4.9