Data quality metrics extracted from 5qy1.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": "6bcb72d53ebfcaadbb1a75f6e56fbdee",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 89.028,
    "b": 81.524,
    "c": 93.279,
    "alpha": 90.00,
    "beta": 108.75,
    "gamma": 90.00
  },
  "wavelengths": [0.82700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.510,1.72],
    "number_observations": 461207,
    "number_observations_unique": 63607,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.086
      },
      {
        "type": "R(meas)",
        "value": 0.093
      },
      {
        "type": "I/SigI",
        "value": 9.860
      },
      {
        "type": "Completeness",
        "value": 99.000
      },
      {
        "type": "Redundancy",
        "value": 6.864
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.82,1.71],
      "number_observations": 68750,
      "number_observations_unique": 10925,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.429
        },
        {
          "type": "R(meas)",
          "value": 3.718
        },
        {
          "type": "I/SigI",
          "value": 0.57
        },
        {
          "type": "Completeness",
          "value": 0.949
        },
        {
          "type": "Redundancy",
          "value": 6.29
        },
        {
          "type": "CC(1/2)",
          "value": 0.274
        }
      ]
    },
    {
      "resolution_limits": [1.94,1.82],
      "number_observations": 70096,
      "number_observations_unique": 10318,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.714
        },
        {
          "type": "R(meas)",
          "value": 1.854
        },
        {
          "type": "I/SigI",
          "value": 1.19
        },
        {
          "type": "Completeness",
          "value": 0.995
        },
        {
          "type": "Redundancy",
          "value": 6.79
        },
        {
          "type": "CC(1/2)",
          "value": 0.598
        }
      ]
    },
    {
      "resolution_limits": [2.10,1.94],
      "number_observations": 64181,
      "number_observations_unique": 9508,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.751
        },
        {
          "type": "R(meas)",
          "value": 0.814
        },
        {
          "type": "I/SigI",
          "value": 2.71
        },
        {
          "type": "Completeness",
          "value": 0.998
        },
        {
          "type": "Redundancy",
          "value": 6.75
        },
        {
          "type": "CC(1/2)",
          "value": 0.869
        }
      ]
    },
    {
      "resolution_limits": [2.30,2.10],
      "number_observations": 61532,
      "number_observations_unique": 8814,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.356
        },
        {
          "type": "R(meas)",
          "value": 0.385
        },
        {
          "type": "I/SigI",
          "value": 5.40
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.98
        },
        {
          "type": "CC(1/2)",
          "value": 0.964
        }
      ]
    },
    {
      "resolution_limits": [2.57,2.30],
      "number_observations": 56423,
      "number_observations_unique": 7958,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.193
        },
        {
          "type": "R(meas)",
          "value": 0.208
        },
        {
          "type": "I/SigI",
          "value": 9.47
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 7.09
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [2.96,2.57],
      "number_observations": 49295,
      "number_observations_unique": 7072,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.114
        },
        {
          "type": "R(meas)",
          "value": 0.123
        },
        {
          "type": "I/SigI",
          "value": 14.75
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.97
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.62,2.96],
      "number_observations": 40885,
      "number_observations_unique": 5979,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.063
        },
        {
          "type": "R(meas)",
          "value": 0.069
        },
        {
          "type": "I/SigI",
          "value": 24.23
        },
        {
          "type": "Completeness",
          "value": 0.998
        },
        {
          "type": "Redundancy",
          "value": 6.84
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [5.11,3.62],
      "number_observations": 32343,
      "number_observations_unique": 4663,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "R(meas)",
          "value": 0.051
        },
        {
          "type": "I/SigI",
          "value": 33.33
        },
        {
          "type": "Completeness",
          "value": 0.998
        },
        {
          "type": "Redundancy",
          "value": 6.94
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [50.00,5.11],
      "number_observations": 17702,
      "number_observations_unique": 2643,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044
        },
        {
          "type": "R(meas)",
          "value": 0.048
        },
        {
          "type": "I/SigI",
          "value": 34.79
        },
        {
          "type": "Completeness",
          "value": 0.995
        },
        {
          "type": "Redundancy",
          "value": 6.70
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 44.510 50.000 1.940
High resolution limit [Å] 1.720 5.110 1.820
R(merge) 0.0860 0.0440 1.7140
R(meas) 0.0930 0.0480 1.8540
CC(1/2) 0.998 0.997 0.598
Completeness [%] 99.0 1.0 1.0
Multiplicity 6.9 6.7 6.8


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
50.000-5.110 0.0440 0.0480 0.997 1.0 6.7
5.110-3.620 0.0480 0.0510 0.998 1.0 6.9
3.620-2.960 0.0630 0.0690 0.998 1.0 6.8
2.960-2.570 0.1140 0.1230 0.995 1.0 7.0
2.570-2.300 0.1930 0.2080 0.988 1.0 8.1
2.300-2.100 0.3560 0.3850 0.964 1.0 7.0
2.100-1.940 0.7510 0.8140 0.869 1.0 6.8
1.940-1.820 1.7140 1.8540 0.598 1.0 6.8
1.820-1.710 3.4290 3.7180 0.274 0.9 6.3