Data quality metrics extracted from 5qz7.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": "16c74a5878e882952a369297c8bf99ac",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 88.521,
    "b": 81.908,
    "c": 93.517,
    "alpha": 90.00,
    "beta": 108.31,
    "gamma": 90.00
  },
  "wavelengths": [0.82700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.680,1.48],
    "number_observations": 731518,
    "number_observations_unique": 97675,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.068
      },
      {
        "type": "R(meas)",
        "value": 0.073
      },
      {
        "type": "I/SigI",
        "value": 11.750
      },
      {
        "type": "Completeness",
        "value": 97.200
      },
      {
        "type": "Redundancy",
        "value": 7.118
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.57,1.48],
      "number_observations": 115167,
      "number_observations_unique": 16969,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.286
        },
        {
          "type": "R(meas)",
          "value": 1.385
        },
        {
          "type": "I/SigI",
          "value": 0.83
        },
        {
          "type": "Completeness",
          "value": 0.948
        },
        {
          "type": "Redundancy",
          "value": 6.79
        },
        {
          "type": "CC(1/2)",
          "value": 0.698
        }
      ]
    },
    {
      "resolution_limits": [1.68,1.57],
      "number_observations": 111755,
      "number_observations_unique": 16084,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.698
        },
        {
          "type": "R(meas)",
          "value": 0.752
        },
        {
          "type": "I/SigI",
          "value": 1.72
        },
        {
          "type": "Completeness",
          "value": 0.963
        },
        {
          "type": "Redundancy",
          "value": 6.95
        },
        {
          "type": "CC(1/2)",
          "value": 0.886
        }
      ]
    },
    {
      "resolution_limits": [1.81,1.68],
      "number_observations": 102958,
      "number_observations_unique": 14865,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.375
        },
        {
          "type": "R(meas)",
          "value": 0.404
        },
        {
          "type": "I/SigI",
          "value": 3.38
        },
        {
          "type": "Completeness",
          "value": 0.968
        },
        {
          "type": "Redundancy",
          "value": 6.93
        },
        {
          "type": "CC(1/2)",
          "value": 0.963
        }
      ]
    },
    {
      "resolution_limits": [1.98,1.81],
      "number_observations": 94419,
      "number_observations_unique": 13722,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.199
        },
        {
          "type": "R(meas)",
          "value": 0.214
        },
        {
          "type": "I/SigI",
          "value": 6.88
        },
        {
          "type": "Completeness",
          "value": 0.973
        },
        {
          "type": "Redundancy",
          "value": 6.88
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [2.22,1.98],
      "number_observations": 85117,
      "number_observations_unique": 12478,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.116
        },
        {
          "type": "R(meas)",
          "value": 0.126
        },
        {
          "type": "I/SigI",
          "value": 13.19
        },
        {
          "type": "Completeness",
          "value": 0.978
        },
        {
          "type": "Redundancy",
          "value": 6.82
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [2.56,2.22],
      "number_observations": 78061,
      "number_observations_unique": 10943,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.081
        },
        {
          "type": "R(meas)",
          "value": 0.088
        },
        {
          "type": "I/SigI",
          "value": 20.63
        },
        {
          "type": "Completeness",
          "value": 0.985
        },
        {
          "type": "Redundancy",
          "value": 7.13
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.13,2.56],
      "number_observations": 65624,
      "number_observations_unique": 9345,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.064
        },
        {
          "type": "R(meas)",
          "value": 0.069
        },
        {
          "type": "I/SigI",
          "value": 27.46
        },
        {
          "type": "Completeness",
          "value": 0.989
        },
        {
          "type": "Redundancy",
          "value": 7.02
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [4.42,3.13],
      "number_observations": 50557,
      "number_observations_unique": 7233,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "R(meas)",
          "value": 0.058
        },
        {
          "type": "I/SigI",
          "value": 34.32
        },
        {
          "type": "Completeness",
          "value": 0.992
        },
        {
          "type": "Redundancy",
          "value": 6.99
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [50.00,4.42],
      "number_observations": 27859,
      "number_observations_unique": 4086,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "R(meas)",
          "value": 0.058
        },
        {
          "type": "I/SigI",
          "value": 35.62
        },
        {
          "type": "Completeness",
          "value": 0.987
        },
        {
          "type": "Redundancy",
          "value": 6.82
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 44.680 50.000 1.680
High resolution limit [Å] 1.480 4.420 1.570
R(merge) 0.0680 0.0540 0.6980
R(meas) 0.0730 0.0580 0.7520
CC(1/2) 0.998 0.996 0.886
Completeness [%] 97.2 1.0 1.0
Multiplicity 7.1 6.8 7.0


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
50.000-4.420 0.0540 0.0580 0.996 1.0 6.8
4.420-3.130 0.0540 0.0580 0.997 1.0 7.0
3.130-2.560 0.0640 0.0690 0.997 1.0 7.0
2.560-2.220 0.0810 0.0880 0.996 1.0 7.1
2.220-1.980 0.1160 0.1260 0.993 1.0 6.8
1.980-1.810 0.1990 0.2140 0.987 1.0 6.9
1.810-1.680 0.3750 0.4040 0.963 1.0 6.9
1.680-1.570 0.6980 0.7520 0.886 1.0 7.0
1.570-1.480 1.2860 1.3850 0.698 0.9 6.8