Data quality metrics extracted from 5r33.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": "0c45cefcc88342a8206b7a75554e2600",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.248,
    "b": 72.863,
    "c": 52.634,
    "alpha": 90.00,
    "beta": 109.35,
    "gamma": 90.00
  },
  "wavelengths": [0.82700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.693,0.92],
    "number_observations_unique": 204014,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 6.950
      },
      {
        "type": "Completeness",
        "value": 91.500
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [0.98,0.92],
      "number_observations": 77475,
      "number_observations_unique": 35996,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.923
        },
        {
          "type": "R(meas)",
          "value": 2.241
        },
        {
          "type": "I/SigI",
          "value": 0.40
        },
        {
          "type": "Completeness",
          "value": 0.572
        },
        {
          "type": "Redundancy",
          "value": 2.15
        },
        {
          "type": "CC(1/2)",
          "value": 0.263
        }
      ]
    },
    {
      "resolution_limits": [1.04,0.98],
      "number_observations": 145344,
      "number_observations_unique": 33786,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.111
        },
        {
          "type": "R(meas)",
          "value": 1.251
        },
        {
          "type": "I/SigI",
          "value": 0.99
        },
        {
          "type": "Completeness",
          "value": 0.903
        },
        {
          "type": "Redundancy",
          "value": 4.30
        },
        {
          "type": "CC(1/2)",
          "value": 0.548
        }
      ]
    },
    {
      "resolution_limits": [1.13,1.04],
      "number_observations": 210915,
      "number_observations_unique": 31519,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.632
        },
        {
          "type": "R(meas)",
          "value": 0.685
        },
        {
          "type": "I/SigI",
          "value": 2.37
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.69
        },
        {
          "type": "CC(1/2)",
          "value": 0.867
        }
      ]
    },
    {
      "resolution_limits": [1.23,1.13],
      "number_observations": 196922,
      "number_observations_unique": 29007,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.355
        },
        {
          "type": "R(meas)",
          "value": 0.385
        },
        {
          "type": "I/SigI",
          "value": 4.33
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.79
        },
        {
          "type": "CC(1/2)",
          "value": 0.947
        }
      ]
    },
    {
      "resolution_limits": [1.38,1.23],
      "number_observations": 181286,
      "number_observations_unique": 26230,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.242
        },
        {
          "type": "R(meas)",
          "value": 0.262
        },
        {
          "type": "I/SigI",
          "value": 6.38
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.91
        },
        {
          "type": "CC(1/2)",
          "value": 0.970
        }
      ]
    },
    {
      "resolution_limits": [1.59,1.38],
      "number_observations": 159154,
      "number_observations_unique": 23178,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.153
        },
        {
          "type": "R(meas)",
          "value": 0.166
        },
        {
          "type": "I/SigI",
          "value": 10.14
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.87
        },
        {
          "type": "CC(1/2)",
          "value": 0.985
        }
      ]
    },
    {
      "resolution_limits": [1.95,1.59],
      "number_observations": 135852,
      "number_observations_unique": 19589,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.107
        },
        {
          "type": "R(meas)",
          "value": 0.116
        },
        {
          "type": "I/SigI",
          "value": 15.19
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.94
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [2.75,1.95],
      "number_observations": 106628,
      "number_observations_unique": 15200,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.091
        },
        {
          "type": "R(meas)",
          "value": 0.098
        },
        {
          "type": "I/SigI",
          "value": 19.68
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 7.01
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [50.00,2.75],
      "number_observations": 58998,
      "number_observations_unique": 8482,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.088
        },
        {
          "type": "R(meas)",
          "value": 0.095
        },
        {
          "type": "I/SigI",
          "value": 21.45
        },
        {
          "type": "Completeness",
          "value": 0.996
        },
        {
          "type": "Redundancy",
          "value": 6.96
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 42.693 50.000 1.040
High resolution limit [Å] 0.920 2.750 0.980
R(merge) - 0.0880 1.1110
R(meas) - 0.0950 1.2510
CC(1/2) - 0.991 0.548
Completeness [%] 91.5 1.0 0.9
Multiplicity - 7.0 4.3


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
50.000-2.750 0.0880 0.0950 0.991 1.0 7.0
2.750-1.950 0.0910 0.0980 0.991 1.0 7.0
1.950-1.590 0.1070 0.1160 0.991 1.0 6.9
1.590-1.380 0.1530 0.1660 0.985 1.0 6.9
1.380-1.230 0.2420 0.2620 0.970 1.0 6.9
1.230-1.130 0.3550 0.3850 0.947 1.0 6.8
1.130-1.040 0.6320 0.6850 0.867 1.0 6.7
1.040-0.980 1.1110 1.2510 0.548 0.9 4.3
0.980-0.920 1.9230 2.2410 0.263 0.6 2.2