Data quality metrics extracted from 5qzf.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": "04a7665fe0b50153da1c71340be97711",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 89.379,
    "b": 81.839,
    "c": 93.218,
    "alpha": 90.00,
    "beta": 108.33,
    "gamma": 90.00
  },
  "wavelengths": [0.82700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.780,1.68],
    "number_observations": 1351079,
    "number_observations_unique": 68953,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.190
      },
      {
        "type": "R(meas)",
        "value": 0.208
      },
      {
        "type": "I/SigI",
        "value": 3.520
      },
      {
        "type": "Completeness",
        "value": 78.300
      },
      {
        "type": "Redundancy",
        "value": 5.853
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.13,1.06],
      "number_observations": 23560,
      "number_observations_unique": 45781,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.301
        },
        {
          "type": "R(meas)",
          "value": 3.569
        },
        {
          "type": "I/SigI",
          "value": -0.05
        },
        {
          "type": "Completeness",
          "value": 0.176
        },
        {
          "type": "Redundancy",
          "value": 0.51
        },
        {
          "type": "CC(1/2)",
          "value": 0.024
        }
      ]
    },
    {
      "resolution_limits": [1.21,1.13],
      "number_observations": 87224,
      "number_observations_unique": 43140,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.583
        },
        {
          "type": "R(meas)",
          "value": 0.631
        },
        {
          "type": "I/SigI",
          "value": -0.05
        },
        {
          "type": "Completeness",
          "value": 0.548
        },
        {
          "type": "Redundancy",
          "value": 2.02
        },
        {
          "type": "CC(1/2)",
          "value": 0.014
        }
      ]
    },
    {
      "resolution_limits": [1.30,1.21],
      "number_observations": 176424,
      "number_observations_unique": 40130,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.126
        },
        {
          "type": "R(meas)",
          "value": 0.137
        },
        {
          "type": "I/SigI",
          "value": -0.07
        },
        {
          "type": "Completeness",
          "value": 0.897
        },
        {
          "type": "Redundancy",
          "value": 4.40
        },
        {
          "type": "CC(1/2)",
          "value": 0.025
        }
      ]
    },
    {
      "resolution_limits": [1.43,1.30],
      "number_observations": 248504,
      "number_observations_unique": 36949,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "R(meas)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": -0.08
        },
        {
          "type": "Completeness",
          "value": 0.998
        },
        {
          "type": "Redundancy",
          "value": 6.73
        },
        {
          "type": "CC(1/2)",
          "value": 0.011
        }
      ]
    },
    {
      "resolution_limits": [1.60,1.43],
      "number_observations": 229053,
      "number_observations_unique": 33507,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": -0.02
        },
        {
          "type": "Completeness",
          "value": 0.998
        },
        {
          "type": "Redundancy",
          "value": 6.84
        },
        {
          "type": "CC(1/2)",
          "value": 0.312
        }
      ]
    },
    {
      "resolution_limits": [1.84,1.60],
      "number_observations": 203417,
      "number_observations_unique": 29500,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.42
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.90
        },
        {
          "type": "CC(1/2)",
          "value": 0.936
        }
      ]
    },
    {
      "resolution_limits": [2.25,1.84],
      "number_observations": 171098,
      "number_observations_unique": 25007,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 3.00
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.84
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.18,2.25],
      "number_observations": 136410,
      "number_observations_unique": 19412,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 13.60
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 7.03
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [50.00,3.18],
      "number_observations": 75389,
      "number_observations_unique": 10798,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 40.79
        },
        {
          "type": "Completeness",
          "value": 0.998
        },
        {
          "type": "Redundancy",
          "value": 6.98
        }
      ]
    }
  ]

}
  

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


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