Data quality metrics extracted from 5r08.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": "f9592187f2b1697654d77812315a1dbc",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 88.682,
    "b": 82.264,
    "c": 93.701,
    "alpha": 90.00,
    "beta": 108.65,
    "gamma": 90.00
  },
  "wavelengths": [0.82700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.180,1.70],
    "number_observations": 480641,
    "number_observations_unique": 70011,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.048
      },
      {
        "type": "R(meas)",
        "value": 0.052
      },
      {
        "type": "I/SigI",
        "value": 16.330
      },
      {
        "type": "Completeness",
        "value": 99.800
      },
      {
        "type": "Redundancy",
        "value": 6.855
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.80,1.70],
      "number_observations": 79022,
      "number_observations_unique": 11331,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.623
        },
        {
          "type": "R(meas)",
          "value": 3.913
        },
        {
          "type": "I/SigI",
          "value": 0.53
        },
        {
          "type": "Completeness",
          "value": 0.995
        },
        {
          "type": "Redundancy",
          "value": 6.97
        },
        {
          "type": "CC(1/2)",
          "value": 0.253
        }
      ]
    },
    {
      "resolution_limits": [1.93,1.80],
      "number_observations": 73981,
      "number_observations_unique": 10608,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.686
        },
        {
          "type": "R(meas)",
          "value": 1.821
        },
        {
          "type": "I/SigI",
          "value": 1.19
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.97
        },
        {
          "type": "CC(1/2)",
          "value": 0.621
        }
      ]
    },
    {
      "resolution_limits": [2.08,1.93],
      "number_observations": 65794,
      "number_observations_unique": 9913,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.660
        },
        {
          "type": "R(meas)",
          "value": 0.717
        },
        {
          "type": "I/SigI",
          "value": 2.88
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.64
        },
        {
          "type": "CC(1/2)",
          "value": 0.907
        }
      ]
    },
    {
      "resolution_limits": [2.28,2.08],
      "number_observations": 57481,
      "number_observations_unique": 9100,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.296
        },
        {
          "type": "R(meas)",
          "value": 0.323
        },
        {
          "type": "I/SigI",
          "value": 6.27
        },
        {
          "type": "Completeness",
          "value": 1.000
        },
        {
          "type": "Redundancy",
          "value": 6.32
        },
        {
          "type": "CC(1/2)",
          "value": 0.976
        }
      ]
    },
    {
      "resolution_limits": [2.55,2.28],
      "number_observations": 60062,
      "number_observations_unique": 8267,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.134
        },
        {
          "type": "R(meas)",
          "value": 0.145
        },
        {
          "type": "I/SigI",
          "value": 13.53
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 7.27
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [2.94,2.55],
      "number_observations": 52048,
      "number_observations_unique": 7281,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "R(meas)",
          "value": 0.071
        },
        {
          "type": "I/SigI",
          "value": 24.98
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 7.15
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [3.60,2.94],
      "number_observations": 41578,
      "number_observations_unique": 6216,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "R(meas)",
          "value": 0.039
        },
        {
          "type": "I/SigI",
          "value": 42.89
        },
        {
          "type": "Completeness",
          "value": 0.997
        },
        {
          "type": "Redundancy",
          "value": 6.69
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [5.07,3.60],
      "number_observations": 30921,
      "number_observations_unique": 4817,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.026
        },
        {
          "type": "R(meas)",
          "value": 0.028
        },
        {
          "type": "I/SigI",
          "value": 60.90
        },
        {
          "type": "Completeness",
          "value": 0.998
        },
        {
          "type": "Redundancy",
          "value": 6.42
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [50.00,5.07],
      "number_observations": 19754,
      "number_observations_unique": 2729,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027
        },
        {
          "type": "R(meas)",
          "value": 0.029
        },
        {
          "type": "I/SigI",
          "value": 69.52
        },
        {
          "type": "Completeness",
          "value": 0.993
        },
        {
          "type": "Redundancy",
          "value": 7.24
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 29.180 50.000 1.930
High resolution limit [Å] 1.700 5.070 1.800
R(merge) 0.0480 0.0270 1.6860
R(meas) 0.0520 0.0290 1.8210
CC(1/2) 1.000 0.999 0.621
Completeness [%] 99.8 1.0 1.0
Multiplicity 6.9 7.2 7.0


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
50.000-5.070 0.0270 0.0290 0.999 1.0 7.2
5.070-3.600 0.0260 0.0280 0.999 1.0 6.4
3.600-2.940 0.0360 0.0390 0.999 1.0 6.7
2.940-2.550 0.0660 0.0710 0.999 1.0 7.2
2.550-2.280 0.1340 0.1450 0.995 1.0 7.3
2.280-2.080 0.2960 0.3230 0.976 1.0 6.3
2.080-1.930 0.6600 0.7170 0.907 1.0 6.6
1.930-1.800 1.6860 1.8210 0.621 1.0 7.0
1.800-1.700 3.6230 3.9130 0.253 1.0 7.0