Data quality metrics extracted from 5r2b.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": "67d8b5514ef3bff99837ba7a3a03578d",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.279,
    "b": 73.063,
    "c": 52.921,
    "alpha": 90.00,
    "beta": 109.73,
    "gamma": 90.00
  },
  "wavelengths": [0.82700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.621,1.02],
    "number_observations": 1108076,
    "number_observations_unique": 163927,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.082
      },
      {
        "type": "R(meas)",
        "value": 0.089
      },
      {
        "type": "I/SigI",
        "value": 9.460
      },
      {
        "type": "Completeness",
        "value": 99.400
      },
      {
        "type": "Redundancy",
        "value": 6.755
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.08,1.02],
      "number_observations": 160023,
      "number_observations_unique": 26624,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.583
        },
        {
          "type": "R(meas)",
          "value": 1.727
        },
        {
          "type": "I/SigI",
          "value": 0.77
        },
        {
          "type": "Completeness",
          "value": 0.973
        },
        {
          "type": "Redundancy",
          "value": 6.01
        },
        {
          "type": "CC(1/2)",
          "value": 0.440
        }
      ]
    },
    {
      "resolution_limits": [1.16,1.08],
      "number_observations": 168277,
      "number_observations_unique": 25020,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.880
        },
        {
          "type": "R(meas)",
          "value": 0.953
        },
        {
          "type": "I/SigI",
          "value": 1.72
        },
        {
          "type": "Completeness",
          "value": 0.997
        },
        {
          "type": "Redundancy",
          "value": 6.73
        },
        {
          "type": "CC(1/2)",
          "value": 0.762
        }
      ]
    },
    {
      "resolution_limits": [1.25,1.16],
      "number_observations": 156346,
      "number_observations_unique": 23261,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.601
        },
        {
          "type": "R(meas)",
          "value": 0.651
        },
        {
          "type": "I/SigI",
          "value": 2.77
        },
        {
          "type": "Completeness",
          "value": 0.998
        },
        {
          "type": "Redundancy",
          "value": 6.72
        },
        {
          "type": "CC(1/2)",
          "value": 0.872
        }
      ]
    },
    {
      "resolution_limits": [1.37,1.25],
      "number_observations": 145553,
      "number_observations_unique": 21481,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.414
        },
        {
          "type": "R(meas)",
          "value": 0.449
        },
        {
          "type": "I/SigI",
          "value": 4.22
        },
        {
          "type": "Completeness",
          "value": 0.998
        },
        {
          "type": "Redundancy",
          "value": 6.78
        },
        {
          "type": "CC(1/2)",
          "value": 0.936
        }
      ]
    },
    {
      "resolution_limits": [1.53,1.37],
      "number_observations": 132903,
      "number_observations_unique": 19400,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.234
        },
        {
          "type": "R(meas)",
          "value": 0.253
        },
        {
          "type": "I/SigI",
          "value": 7.66
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.85
        },
        {
          "type": "CC(1/2)",
          "value": 0.975
        }
      ]
    },
    {
      "resolution_limits": [1.76,1.53],
      "number_observations": 117657,
      "number_observations_unique": 17156,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.131
        },
        {
          "type": "R(meas)",
          "value": 0.141
        },
        {
          "type": "I/SigI",
          "value": 13.17
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.86
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [2.16,1.76],
      "number_observations": 103826,
      "number_observations_unique": 14523,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.069
        },
        {
          "type": "R(meas)",
          "value": 0.075
        },
        {
          "type": "I/SigI",
          "value": 23.76
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 7.15
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.05,2.16],
      "number_observations": 79174,
      "number_observations_unique": 11246,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "R(meas)",
          "value": 0.055
        },
        {
          "type": "I/SigI",
          "value": 32.29
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 7.04
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [50.00,3.05],
      "number_observations": 44317,
      "number_observations_unique": 6294,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "R(meas)",
          "value": 0.048
        },
        {
          "type": "I/SigI",
          "value": 40.36
        },
        {
          "type": "Completeness",
          "value": 0.995
        },
        {
          "type": "Redundancy",
          "value": 7.04
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 42.621 50.000 1.160
High resolution limit [Å] 1.020 3.050 1.080
R(merge) 0.0820 0.0450 0.8800
R(meas) 0.0890 0.0480 0.9530
CC(1/2) 0.999 0.998 0.762
Completeness [%] 99.4 1.0 1.0
Multiplicity 6.8 7.0 6.7


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
50.000-3.050 0.0450 0.0480 0.998 1.0 7.0
3.050-2.160 0.0510 0.0550 0.998 1.0 7.0
2.160-1.760 0.0690 0.0750 0.997 1.0 7.2
1.760-1.530 0.1310 0.1410 0.991 1.0 6.9
1.530-1.370 0.2340 0.2530 0.975 1.0 6.9
1.370-1.250 0.4140 0.4490 0.936 1.0 6.8
1.250-1.160 0.6010 0.6510 0.872 1.0 6.7
1.160-1.080 0.8800 0.9530 0.762 1.0 6.7
1.080-1.020 1.5830 1.7270 0.440 1.0 6.0