Data quality metrics extracted from 5r3i.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": "cd5bf29df05074842a6f247f2c3ede0e",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.345,
    "b": 72.886,
    "c": 52.766,
    "alpha": 90.0,
    "beta": 109.4,
    "gamma": 90.0
  },
  "wavelengths": [0.82700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.769,1.04],
    "number_observations_unique": 155126,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 9.760
      },
      {
        "type": "Completeness",
        "value": 99.500
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.10,1.04],
      "number_observations": 160419,
      "number_observations_unique": 25202,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.807
        },
        {
          "type": "R(meas)",
          "value": 1.960
        },
        {
          "type": "I/SigI",
          "value": 0.74
        },
        {
          "type": "Completeness",
          "value": 0.974
        },
        {
          "type": "Redundancy",
          "value": 6.37
        },
        {
          "type": "CC(1/2)",
          "value": 0.401
        }
      ]
    },
    {
      "resolution_limits": [1.18,1.10],
      "number_observations": 159730,
      "number_observations_unique": 23645,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.901
        },
        {
          "type": "R(meas)",
          "value": 0.975
        },
        {
          "type": "I/SigI",
          "value": 1.68
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.76
        },
        {
          "type": "CC(1/2)",
          "value": 0.749
        }
      ]
    },
    {
      "resolution_limits": [1.27,1.18],
      "number_observations": 150884,
      "number_observations_unique": 22012,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.566
        },
        {
          "type": "R(meas)",
          "value": 0.613
        },
        {
          "type": "I/SigI",
          "value": 2.84
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.85
        },
        {
          "type": "CC(1/2)",
          "value": 0.872
        }
      ]
    },
    {
      "resolution_limits": [1.39,1.27],
      "number_observations": 140213,
      "number_observations_unique": 20272,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.332
        },
        {
          "type": "R(meas)",
          "value": 0.359
        },
        {
          "type": "I/SigI",
          "value": 4.86
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.92
        },
        {
          "type": "CC(1/2)",
          "value": 0.955
        }
      ]
    },
    {
      "resolution_limits": [1.56,1.39],
      "number_observations": 126674,
      "number_observations_unique": 18412,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.179
        },
        {
          "type": "R(meas)",
          "value": 0.193
        },
        {
          "type": "I/SigI",
          "value": 8.85
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.88
        },
        {
          "type": "CC(1/2)",
          "value": 0.984
        }
      ]
    },
    {
      "resolution_limits": [1.80,1.56],
      "number_observations": 111279,
      "number_observations_unique": 16201,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.106
        },
        {
          "type": "R(meas)",
          "value": 0.115
        },
        {
          "type": "I/SigI",
          "value": 15.13
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.87
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [2.20,1.80],
      "number_observations": 97406,
      "number_observations_unique": 13746,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.067
        },
        {
          "type": "R(meas)",
          "value": 0.072
        },
        {
          "type": "I/SigI",
          "value": 25.04
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 7.09
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.10,2.20],
      "number_observations": 74133,
      "number_observations_unique": 10643,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "R(meas)",
          "value": 0.061
        },
        {
          "type": "I/SigI",
          "value": 31.28
        },
        {
          "type": "Completeness",
          "value": 0.998
        },
        {
          "type": "Redundancy",
          "value": 6.97
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [50.00,3.10],
      "number_observations": 41359,
      "number_observations_unique": 5956,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.052
        },
        {
          "type": "R(meas)",
          "value": 0.056
        },
        {
          "type": "I/SigI",
          "value": 35.98
        },
        {
          "type": "Completeness",
          "value": 0.995
        },
        {
          "type": "Redundancy",
          "value": 6.94
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 42.769 50.000 1.180
High resolution limit [Å] 1.040 3.100 1.100
R(merge) - 0.0520 0.9010
R(meas) - 0.0560 0.9750
CC(1/2) - 0.997 0.749
Completeness [%] 99.5 1.0 1.0
Multiplicity - 6.9 6.8


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
50.000-3.100 0.0520 0.0560 0.997 1.0 6.9
3.100-2.200 0.0570 0.0610 0.997 1.0 7.0
2.200-1.800 0.0670 0.0720 0.997 1.0 8.1
1.800-1.560 0.1060 0.1150 0.993 1.0 6.9
1.560-1.390 0.1790 0.1930 0.984 1.0 6.9
1.390-1.270 0.3320 0.3590 0.955 1.0 6.9
1.270-1.180 0.5660 0.6130 0.872 1.0 6.9
1.180-1.100 0.9010 0.9750 0.749 1.0 6.8
1.100-1.040 1.8070 1.9600 0.401 1.0 6.4