Data quality metrics extracted from 5r3f.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": "68b009a89975933f7805ecdbf4d27495",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.157,
    "b": 73.595,
    "c": 52.480,
    "alpha": 90.00,
    "beta": 109.03,
    "gamma": 90.00
  },
  "wavelengths": [0.82700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.690,1.19],
    "number_observations_unique": 104124,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 12.070
      },
      {
        "type": "Completeness",
        "value": 98.800
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.01,1.90],
      "number_observations": 53631,
      "number_observations_unique": 8108,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.089
        },
        {
          "type": "R(meas)",
          "value": 2.263
        },
        {
          "type": "I/SigI",
          "value": 0.87
        },
        {
          "type": "Completeness",
          "value": 0.985
        },
        {
          "type": "Redundancy",
          "value": 6.61
        },
        {
          "type": "CC(1/2)",
          "value": 0.371
        }
      ]
    },
    {
      "resolution_limits": [2.15,2.01],
      "number_observations": 47248,
      "number_observations_unique": 7603,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.972
        },
        {
          "type": "R(meas)",
          "value": 1.062
        },
        {
          "type": "I/SigI",
          "value": 1.85
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.21
        },
        {
          "type": "CC(1/2)",
          "value": 0.657
        }
      ]
    },
    {
      "resolution_limits": [2.32,2.15],
      "number_observations": 48308,
      "number_observations_unique": 7067,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.494
        },
        {
          "type": "R(meas)",
          "value": 0.535
        },
        {
          "type": "I/SigI",
          "value": 3.81
        },
        {
          "type": "Completeness",
          "value": 1.000
        },
        {
          "type": "Redundancy",
          "value": 6.84
        },
        {
          "type": "CC(1/2)",
          "value": 0.901
        }
      ]
    },
    {
      "resolution_limits": [2.54,2.32],
      "number_observations": 47445,
      "number_observations_unique": 6531,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.264
        },
        {
          "type": "R(meas)",
          "value": 0.284
        },
        {
          "type": "I/SigI",
          "value": 7.24
        },
        {
          "type": "Completeness",
          "value": 0.998
        },
        {
          "type": "Redundancy",
          "value": 7.26
        },
        {
          "type": "CC(1/2)",
          "value": 0.972
        }
      ]
    },
    {
      "resolution_limits": [2.84,2.54],
      "number_observations": 42629,
      "number_observations_unique": 5911,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.139
        },
        {
          "type": "R(meas)",
          "value": 0.149
        },
        {
          "type": "I/SigI",
          "value": 13.05
        },
        {
          "type": "Completeness",
          "value": 1.000
        },
        {
          "type": "Redundancy",
          "value": 7.21
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [3.28,2.84],
      "number_observations": 36345,
      "number_observations_unique": 5239,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.073
        },
        {
          "type": "R(meas)",
          "value": 0.079
        },
        {
          "type": "I/SigI",
          "value": 22.89
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.94
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [4.01,3.28],
      "number_observations": 27930,
      "number_observations_unique": 4450,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "R(meas)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": 36.86
        },
        {
          "type": "Completeness",
          "value": 0.998
        },
        {
          "type": "Redundancy",
          "value": 6.28
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [5.65,4.01],
      "number_observations": 24299,
      "number_observations_unique": 3445,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
        },
        {
          "type": "R(meas)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 49.67
        },
        {
          "type": "Completeness",
          "value": 0.998
        },
        {
          "type": "Redundancy",
          "value": 7.05
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [50.00,5.65],
      "number_observations": 14273,
      "number_observations_unique": 1977,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        },
        {
          "type": "R(meas)",
          "value": 0.037
        },
        {
          "type": "I/SigI",
          "value": 52.52
        },
        {
          "type": "Completeness",
          "value": 0.995
        },
        {
          "type": "Redundancy",
          "value": 7.22
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 42.690 50.000 2.150
High resolution limit [Å] 1.190 5.650 2.010
R(merge) - 0.0340 0.9720
R(meas) - 0.0370 1.0620
CC(1/2) - 0.999 0.657
Completeness [%] 98.8 1.0 1.0
Multiplicity - 7.2 6.2


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
50.000-5.650 0.0340 0.0370 0.999 1.0 7.2
5.650-4.010 0.0310 0.0340 0.999 1.0 8.1
4.010-3.280 0.0400 0.0440 0.999 1.0 6.3
3.280-2.840 0.0730 0.0790 0.998 1.0 6.9
2.840-2.540 0.1390 0.1490 0.993 1.0 7.2
2.540-2.320 0.2640 0.2840 0.972 1.0 7.3
2.320-2.150 0.4940 0.5350 0.901 1.0 6.8
2.150-2.010 0.9720 1.0620 0.657 1.0 6.2
2.010-1.900 2.0890 2.2630 0.371 1.0 6.6