Data quality metrics extracted from 8so8.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": "76474efd99039d2555d41d679dec1234",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 122.421,
    "b": 122.421,
    "c": 187.795,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.00,2.60],
    "number_observations_unique": 42303,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.097
      },
      {
        "type": "R(meas)",
        "value": 0.105
      },
      {
        "type": "R(pim)",
        "value": 0.036
      },
      {
        "type": "I/SigI",
        "value": 10.8
      },
      {
        "type": "Completeness",
        "value": 95.7
      },
      {
        "type": "Redundancy",
        "value": 7.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.69,2.60],
      "number_observations_unique": 3820,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.651
        },
        {
          "type": "R(meas)",
          "value": 0.772
        },
        {
          "type": "R(pim)",
          "value": 0.402
        },
        {
          "type": "Completeness",
          "value": 88.6
        },
        {
          "type": "Redundancy",
          "value": 3.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.088
        }
      ]
    },
    {
      "resolution_limits": [2.80,2.69],
      "number_observations_unique": 4125,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.678
        },
        {
          "type": "R(meas)",
          "value": 0.763
        },
        {
          "type": "R(pim)",
          "value": 0.338
        },
        {
          "type": "Completeness",
          "value": 95.0
        },
        {
          "type": "Redundancy",
          "value": 4.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.122
        }
      ]
    },
    {
      "resolution_limits": [2.93,2.80],
      "number_observations_unique": 4215,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.636
        },
        {
          "type": "R(meas)",
          "value": 0.703
        },
        {
          "type": "R(pim)",
          "value": 0.289
        },
        {
          "type": "Completeness",
          "value": 96.9
        },
        {
          "type": "Redundancy",
          "value": 5.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.223
        }
      ]
    },
    {
      "resolution_limits": [3.08,2.93],
      "number_observations_unique": 4212,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.569
        },
        {
          "type": "R(meas)",
          "value": 0.624
        },
        {
          "type": "R(pim)",
          "value": 0.247
        },
        {
          "type": "Completeness",
          "value": 96.9
        },
        {
          "type": "Redundancy",
          "value": 6.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.430
        }
      ]
    },
    {
      "resolution_limits": [3.28,3.08],
      "number_observations_unique": 4257,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.431
        },
        {
          "type": "R(meas)",
          "value": 0.468
        },
        {
          "type": "R(pim)",
          "value": 0.176
        },
        {
          "type": "Completeness",
          "value": 97.1
        },
        {
          "type": "Redundancy",
          "value": 6.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.741
        }
      ]
    },
    {
      "resolution_limits": [3.53,3.28],
      "number_observations_unique": 4268,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.284
        },
        {
          "type": "R(meas)",
          "value": 0.306
        },
        {
          "type": "R(pim)",
          "value": 0.109
        },
        {
          "type": "Completeness",
          "value": 97.4
        },
        {
          "type": "Redundancy",
          "value": 7.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.921
        }
      ]
    },
    {
      "resolution_limits": [3.88,3.53],
      "number_observations_unique": 4257,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.165
        },
        {
          "type": "R(meas)",
          "value": 0.176
        },
        {
          "type": "R(pim)",
          "value": 0.059
        },
        {
          "type": "Completeness",
          "value": 97.1
        },
        {
          "type": "Redundancy",
          "value": 8.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.982
        }
      ]
    },
    {
      "resolution_limits": [4.44,3.88],
      "number_observations_unique": 4312,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.107
        },
        {
          "type": "R(meas)",
          "value": 0.113
        },
        {
          "type": "R(pim)",
          "value": 0.037
        },
        {
          "type": "Completeness",
          "value": 96.8
        },
        {
          "type": "Redundancy",
          "value": 8.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [5.59,4.44],
      "number_observations_unique": 4350,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.074
        },
        {
          "type": "R(meas)",
          "value": 0.079
        },
        {
          "type": "R(pim)",
          "value": 0.025
        },
        {
          "type": "Completeness",
          "value": 96.5
        },
        {
          "type": "Redundancy",
          "value": 9.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [30.00,5.59],
      "number_observations_unique": 4487,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.053
        },
        {
          "type": "R(meas)",
          "value": 0.056
        },
        {
          "type": "R(pim)",
          "value": 0.018
        },
        {
          "type": "Completeness",
          "value": 95.0
        },
        {
          "type": "Redundancy",
          "value": 9.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 30.000 30.000 2.800
High resolution limit [Å] 2.600 5.590 2.690
R(merge) 0.0970 0.0530 0.6780
R(meas) 0.1050 0.0560 0.7630
R(pim) 0.0360 0.0180 0.3380
CC(1/2) - 0.998 0.122
Completeness [%] 95.7 95.0 95.0
Multiplicity 7.0 9.3 4.8


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
30.000-5.590 0.0530 0.0560 0.0180 0.998 95.0 9.3
5.590-4.440 0.0740 0.0790 0.0250 0.996 96.5 9.3
4.440-3.880 0.1070 0.1130 0.0370 0.993 96.8 8.8
3.880-3.530 0.1650 0.1760 0.0590 0.982 97.1 8.3
3.530-3.280 0.2840 0.3060 0.1090 0.921 97.4 7.5
3.280-3.080 0.4310 0.4680 0.1760 0.741 97.1 6.8
3.080-2.930 0.5690 0.6240 0.2470 0.430 96.9 6.1
2.930-2.800 0.6360 0.7030 0.2890 0.223 96.9 5.7
2.800-2.690 0.6780 0.7630 0.3380 0.122 95.0 4.8
2.690-2.600 0.6510 0.7720 0.4020 0.088 88.6 3.0