Data quality metrics extracted from 5r3b.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": "d22be353b0d0927d94de78cd5a579c41",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.113,
    "b": 73.521,
    "c": 52.254,
    "alpha": 90.00,
    "beta": 108.85,
    "gamma": 90.00
  },
  "wavelengths": [0.82700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.693,1.17],
    "number_observations_unique": 107273,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 9.540
      },
      {
        "type": "Completeness",
        "value": 98.700
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.24,1.17],
      "number_observations": 105172,
      "number_observations_unique": 17597,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.967
        },
        {
          "type": "R(meas)",
          "value": 2.140
        },
        {
          "type": "I/SigI",
          "value": 0.63
        },
        {
          "type": "Completeness",
          "value": 0.926
        },
        {
          "type": "Redundancy",
          "value": 5.98
        },
        {
          "type": "CC(1/2)",
          "value": 0.577
        }
      ]
    },
    {
      "resolution_limits": [1.33,1.24],
      "number_observations": 113747,
      "number_observations_unique": 16501,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.225
        },
        {
          "type": "R(meas)",
          "value": 1.326
        },
        {
          "type": "I/SigI",
          "value": 1.13
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.89
        },
        {
          "type": "CC(1/2)",
          "value": 0.763
        }
      ]
    },
    {
      "resolution_limits": [1.43,1.33],
      "number_observations": 104606,
      "number_observations_unique": 15285,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.701
        },
        {
          "type": "R(meas)",
          "value": 0.760
        },
        {
          "type": "I/SigI",
          "value": 2.18
        },
        {
          "type": "Completeness",
          "value": 1.000
        },
        {
          "type": "Redundancy",
          "value": 6.84
        },
        {
          "type": "CC(1/2)",
          "value": 0.890
        }
      ]
    },
    {
      "resolution_limits": [1.57,1.43],
      "number_observations": 95543,
      "number_observations_unique": 14133,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.370
        },
        {
          "type": "R(meas)",
          "value": 0.401
        },
        {
          "type": "I/SigI",
          "value": 4.45
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.76
        },
        {
          "type": "CC(1/2)",
          "value": 0.959
        }
      ]
    },
    {
      "resolution_limits": [1.75,1.57],
      "number_observations": 85331,
      "number_observations_unique": 12809,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.206
        },
        {
          "type": "R(meas)",
          "value": 0.224
        },
        {
          "type": "I/SigI",
          "value": 8.62
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.66
        },
        {
          "type": "CC(1/2)",
          "value": 0.984
        }
      ]
    },
    {
      "resolution_limits": [2.02,1.75],
      "number_observations": 76262,
      "number_observations_unique": 11303,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.109
        },
        {
          "type": "R(meas)",
          "value": 0.118
        },
        {
          "type": "I/SigI",
          "value": 16.70
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.75
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [2.48,2.02],
      "number_observations": 60801,
      "number_observations_unique": 9581,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.076
        },
        {
          "type": "R(meas)",
          "value": 0.082
        },
        {
          "type": "I/SigI",
          "value": 24.08
        },
        {
          "type": "Completeness",
          "value": 0.997
        },
        {
          "type": "Redundancy",
          "value": 6.35
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.50,2.48],
      "number_observations": 47155,
      "number_observations_unique": 7426,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "R(meas)",
          "value": 0.061
        },
        {
          "type": "I/SigI",
          "value": 30.18
        },
        {
          "type": "Completeness",
          "value": 0.998
        },
        {
          "type": "Redundancy",
          "value": 6.35
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [50.00,3.50],
      "number_observations": 27401,
      "number_observations_unique": 4148,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "R(meas)",
          "value": 0.053
        },
        {
          "type": "I/SigI",
          "value": 35.54
        },
        {
          "type": "Completeness",
          "value": 0.998
        },
        {
          "type": "Redundancy",
          "value": 6.61
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 42.693 50.000 1.330
High resolution limit [Å] 1.170 3.500 1.240
R(merge) - 0.0490 1.2250
R(meas) - 0.0530 1.3260
CC(1/2) - 0.998 0.763
Completeness [%] 98.7 1.0 1.0
Multiplicity - 6.6 6.9


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
50.000-3.500 0.0490 0.0530 0.998 1.0 6.6
3.500-2.480 0.0570 0.0610 0.997 1.0 6.4
2.480-2.020 0.0760 0.0820 0.995 1.0 6.4
2.020-1.750 0.1090 0.1180 0.994 1.0 6.8
1.750-1.570 0.2060 0.2240 0.984 1.0 6.7
1.570-1.430 0.3700 0.4010 0.959 1.0 6.8
1.430-1.330 0.7010 0.7600 0.890 1.0 6.8
1.330-1.240 1.2250 1.3260 0.763 1.0 6.9
1.240-1.170 1.9670 2.1400 0.577 0.9 6.0