Data quality metrics extracted from 8s9k.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": "0f1dc55553c049e16e57ccaab7dbd112",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 74.814,
    "b": 83.765,
    "c": 191.120,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,2.70],
    "number_observations": 222382,
    "number_observations_unique": 32772,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.241
      },
      {
        "type": "R(meas)",
        "value": 0.261
      },
      {
        "type": "R(pim)",
        "value": 0.099
      },
      {
        "type": "I/SigI",
        "value": 3.7
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 6.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.978
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.80,2.70],
      "number_observations_unique": 3223,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.268
        },
        {
          "type": "R(meas)",
          "value": 1.368
        },
        {
          "type": "R(pim)",
          "value": 0.507
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 7.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.523
        }
      ]
    },
    {
      "resolution_limits": [2.91,2.80],
      "number_observations_unique": 3208,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.149
        },
        {
          "type": "R(meas)",
          "value": 1.240
        },
        {
          "type": "R(pim)",
          "value": 0.462
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 7.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.635
        }
      ]
    },
    {
      "resolution_limits": [3.04,2.91],
      "number_observations_unique": 3237,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.913
        },
        {
          "type": "R(meas)",
          "value": 0.987
        },
        {
          "type": "R(pim)",
          "value": 0.371
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 6.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.726
        }
      ]
    },
    {
      "resolution_limits": [3.20,3.04],
      "number_observations_unique": 3233,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.661
        },
        {
          "type": "R(meas)",
          "value": 0.719
        },
        {
          "type": "R(pim)",
          "value": 0.279
        },
        {
          "type": "Completeness",
          "value": 99.5
        },
        {
          "type": "Redundancy",
          "value": 6.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.823
        }
      ]
    },
    {
      "resolution_limits": [3.40,3.20],
      "number_observations_unique": 3219,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.457
        },
        {
          "type": "R(meas)",
          "value": 0.495
        },
        {
          "type": "R(pim)",
          "value": 0.188
        },
        {
          "type": "Completeness",
          "value": 99.4
        },
        {
          "type": "Redundancy",
          "value": 6.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.912
        }
      ]
    },
    {
      "resolution_limits": [3.66,3.40],
      "number_observations_unique": 3252,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.334
        },
        {
          "type": "R(meas)",
          "value": 0.360
        },
        {
          "type": "R(pim)",
          "value": 0.133
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 7.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.955
        }
      ]
    },
    {
      "resolution_limits": [4.03,3.66],
      "number_observations_unique": 3277,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.229
        },
        {
          "type": "R(meas)",
          "value": 0.247
        },
        {
          "type": "R(pim)",
          "value": 0.093
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 6.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.975
        }
      ]
    },
    {
      "resolution_limits": [4.62,4.03],
      "number_observations_unique": 3309,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.157
        },
        {
          "type": "R(meas)",
          "value": 0.171
        },
        {
          "type": "R(pim)",
          "value": 0.066
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 6.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.985
        }
      ]
    },
    {
      "resolution_limits": [5.81,4.62],
      "number_observations_unique": 3317,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.142
        },
        {
          "type": "R(meas)",
          "value": 0.154
        },
        {
          "type": "R(pim)",
          "value": 0.059
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 6.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    },
    {
      "resolution_limits": [50.00,5.81],
      "number_observations_unique": 3497,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.104
        },
        {
          "type": "R(meas)",
          "value": 0.114
        },
        {
          "type": "R(pim)",
          "value": 0.044
        },
        {
          "type": "Completeness",
          "value": 99.7
        },
        {
          "type": "Redundancy",
          "value": 6.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 50.000 50.000 2.910
High resolution limit [Å] 2.700 5.810 2.800
R(merge) 0.2410 0.1040 1.1490
R(meas) 0.2610 0.1140 1.2400
R(pim) 0.0990 0.0440 0.4620
CC(1/2) 0.978 0.991 0.635
Completeness [%] 99.8 99.7 99.9
Multiplicity 6.8 6.4 7.0


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
50.000-5.810 0.1040 0.1140 0.0440 0.991 99.7 6.4
5.810-4.620 0.1420 0.1540 0.0590 0.986 99.8 6.7
4.620-4.030 0.1570 0.1710 0.0660 0.985 99.8 6.6
4.030-3.660 0.2290 0.2470 0.0930 0.975 100.0 6.9
3.660-3.400 0.3340 0.3600 0.1330 0.955 99.9 7.1
3.400-3.200 0.4570 0.4950 0.1880 0.912 99.4 6.7
3.200-3.040 0.6610 0.7190 0.2790 0.823 99.5 6.4
3.040-2.910 0.9130 0.9870 0.3710 0.726 100.0 6.9
2.910-2.800 1.1490 1.2400 0.4620 0.635 99.9 7.0
2.800-2.700 1.2680 1.3680 0.5070 0.523 100.0 7.1