Data quality metrics extracted from 5r16.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": "4e1a7c5686e9db77eaefa4be451b449f",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 88.683,
    "b": 82.837,
    "c": 92.966,
    "alpha": 90.00,
    "beta": 107.88,
    "gamma": 90.00
  },
  "wavelengths": [0.82700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [23.450,1.84],
    "number_observations": 372636,
    "number_observations_unique": 54797,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.057
      },
      {
        "type": "R(meas)",
        "value": 0.062
      },
      {
        "type": "I/SigI",
        "value": 15.930
      },
      {
        "type": "Completeness",
        "value": 99.300
      },
      {
        "type": "Redundancy",
        "value": 6.782
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.95,1.84],
      "number_observations": 57463,
      "number_observations_unique": 8885,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.654
        },
        {
          "type": "R(meas)",
          "value": 2.874
        },
        {
          "type": "I/SigI",
          "value": 0.68
        },
        {
          "type": "Completeness",
          "value": 0.962
        },
        {
          "type": "Redundancy",
          "value": 6.47
        },
        {
          "type": "CC(1/2)",
          "value": 0.335
        }
      ]
    },
    {
      "resolution_limits": [2.09,1.95],
      "number_observations": 54538,
      "number_observations_unique": 8369,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.103
        },
        {
          "type": "R(meas)",
          "value": 1.200
        },
        {
          "type": "I/SigI",
          "value": 1.67
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.52
        },
        {
          "type": "CC(1/2)",
          "value": 0.709
        }
      ]
    },
    {
      "resolution_limits": [2.26,2.09],
      "number_observations": 49132,
      "number_observations_unique": 7817,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.522
        },
        {
          "type": "R(meas)",
          "value": 0.570
        },
        {
          "type": "I/SigI",
          "value": 3.54
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.29
        },
        {
          "type": "CC(1/2)",
          "value": 0.898
        }
      ]
    },
    {
      "resolution_limits": [2.47,2.26],
      "number_observations": 51886,
      "number_observations_unique": 7142,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.269
        },
        {
          "type": "R(meas)",
          "value": 0.290
        },
        {
          "type": "I/SigI",
          "value": 7.54
        },
        {
          "type": "Completeness",
          "value": 1.000
        },
        {
          "type": "Redundancy",
          "value": 7.26
        },
        {
          "type": "CC(1/2)",
          "value": 0.978
        }
      ]
    },
    {
      "resolution_limits": [2.76,2.47],
      "number_observations": 47281,
      "number_observations_unique": 6556,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.130
        },
        {
          "type": "R(meas)",
          "value": 0.140
        },
        {
          "type": "I/SigI",
          "value": 14.28
        },
        {
          "type": "Completeness",
          "value": 0.998
        },
        {
          "type": "Redundancy",
          "value": 7.21
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.19,2.76],
      "number_observations": 40086,
      "number_observations_unique": 5763,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.068
        },
        {
          "type": "R(meas)",
          "value": 0.074
        },
        {
          "type": "I/SigI",
          "value": 25.38
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.96
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [3.90,3.19],
      "number_observations": 30645,
      "number_observations_unique": 4831,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.039
        },
        {
          "type": "R(meas)",
          "value": 0.042
        },
        {
          "type": "I/SigI",
          "value": 40.71
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.34
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [5.49,3.90],
      "number_observations": 25929,
      "number_observations_unique": 3819,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
        },
        {
          "type": "R(meas)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 54.94
        },
        {
          "type": "Completeness",
          "value": 0.998
        },
        {
          "type": "Redundancy",
          "value": 6.79
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [50.00,5.49],
      "number_observations": 15676,
      "number_observations_unique": 2158,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.030
        },
        {
          "type": "R(meas)",
          "value": 0.033
        },
        {
          "type": "I/SigI",
          "value": 59.96
        },
        {
          "type": "Completeness",
          "value": 0.992
        },
        {
          "type": "Redundancy",
          "value": 7.26
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 23.450 50.000 2.090
High resolution limit [Å] 1.840 5.490 1.950
R(merge) 0.0570 0.0300 1.1030
R(meas) 0.0620 0.0330 1.2000
CC(1/2) 0.999 0.999 0.709
Completeness [%] 99.3 1.0 1.0
Multiplicity 6.8 7.3 6.5


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
50.000-5.490 0.0300 0.0330 0.999 1.0 7.3
5.490-3.900 0.0310 0.0340 0.999 1.0 6.8
3.900-3.190 0.0390 0.0420 0.999 1.0 6.3
3.190-2.760 0.0680 0.0740 0.998 1.0 7.0
2.760-2.470 0.1300 0.1400 0.995 1.0 7.2
2.470-2.260 0.2690 0.2900 0.978 1.0 7.3
2.260-2.090 0.5220 0.5700 0.898 1.0 6.3
2.090-1.950 1.1030 1.2000 0.709 1.0 6.5
1.950-1.840 2.6540 2.8740 0.335 1.0 6.5