Data quality metrics extracted from 8qzf.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": "f49de9acc4c3202f2e5a8fe91bb2121e",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 58.40,
    "b": 146.79,
    "c": 64.31,
    "alpha": 90.00,
    "beta": 100.04,
    "gamma": 90.00
  },
  "wavelengths": [0.99989],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.31,1.8],
    "number_observations_unique": 188959,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.10400000000000001
      },
      {
        "type": "R(meas)",
        "value": 0.13
      },
      {
        "type": "I/SigI",
        "value": 7.13
      },
      {
        "type": "Completeness",
        "value": 96.8
      },
      {
        "type": "Redundancy",
        "value": 5
      },
      {
        "type": "CC(1/2)",
        "value": 0.992
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.85,1.80],
      "number_observations_unique": 12603,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.89
        },
        {
          "type": "R(meas)",
          "value": 1.153
        },
        {
          "type": "CC(1/2)",
          "value": 0.301
        }
      ]
    },
    {
      "resolution_limits": [1.9,1.85],
      "number_observations_unique": 13480,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.871
        },
        {
          "type": "R(meas)",
          "value": 1.11
        },
        {
          "type": "CC(1/2)",
          "value": 0.337
        }
      ]
    },
    {
      "resolution_limits": [1.95,1.90],
      "number_observations_unique": 13324,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7559999999999999
        },
        {
          "type": "R(meas)",
          "value": 0.9570000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.439
        }
      ]
    },
    {
      "resolution_limits": [2.01,1.95],
      "number_observations_unique": 13043,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.636
        },
        {
          "type": "R(meas)",
          "value": 0.795
        },
        {
          "type": "CC(1/2)",
          "value": 0.53
        }
      ]
    },
    {
      "resolution_limits": [2.08,2.01],
      "number_observations_unique": 12769,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.503
        },
        {
          "type": "R(meas)",
          "value": 0.628
        },
        {
          "type": "CC(1/2)",
          "value": 0.66
        }
      ]
    },
    {
      "resolution_limits": [2.15,2.08],
      "number_observations_unique": 12194,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.4
        },
        {
          "type": "R(meas)",
          "value": 0.499
        },
        {
          "type": "CC(1/2)",
          "value": 0.74
        }
      ]
    },
    {
      "resolution_limits": [2.23,2.15],
      "number_observations_unique": 11881,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.309
        },
        {
          "type": "R(meas)",
          "value": 0.386
        },
        {
          "type": "CC(1/2)",
          "value": 0.83
        }
      ]
    },
    {
      "resolution_limits": [2.32,2.23],
      "number_observations_unique": 11463,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.25
        },
        {
          "type": "R(meas)",
          "value": 0.313
        },
        {
          "type": "CC(1/2)",
          "value": 0.875
        }
      ]
    },
    {
      "resolution_limits": [2.43,2.32],
      "number_observations_unique": 10868,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.201
        },
        {
          "type": "R(meas)",
          "value": 0.251
        },
        {
          "type": "CC(1/2)",
          "value": 0.922
        }
      ]
    },
    {
      "resolution_limits": [2.55,2.43],
      "number_observations_unique": 10506,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.163
        },
        {
          "type": "R(meas)",
          "value": 0.204
        },
        {
          "type": "CC(1/2)",
          "value": 0.943
        }
      ]
    },
    {
      "resolution_limits": [2.68,2.55],
      "number_observations_unique": 9916,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.134
        },
        {
          "type": "R(meas)",
          "value": 0.16699999999999998
        },
        {
          "type": "CC(1/2)",
          "value": 0.963
        }
      ]
    },
    {
      "resolution_limits": [2.85,2.68],
      "number_observations_unique": 9302,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.10800000000000001
        },
        {
          "type": "R(meas)",
          "value": 0.136
        },
        {
          "type": "CC(1/2)",
          "value": 0.9740000000000001
        }
      ]
    },
    {
      "resolution_limits": [3.04,2.85],
      "number_observations_unique": 8820,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.095
        },
        {
          "type": "R(meas)",
          "value": 0.11900000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.9790000000000001
        }
      ]
    },
    {
      "resolution_limits": [3.29,3.04],
      "number_observations_unique": 8012,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.081
        },
        {
          "type": "R(meas)",
          "value": 0.102
        },
        {
          "type": "CC(1/2)",
          "value": 0.982
        }
      ]
    },
    {
      "resolution_limits": [3.6,3.29],
      "number_observations_unique": 7364,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.071
        },
        {
          "type": "R(meas)",
          "value": 0.08900000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.985
        }
      ]
    },
    {
      "resolution_limits": [4.02,3.60],
      "number_observations_unique": 6628,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.067
        },
        {
          "type": "R(meas)",
          "value": 0.084
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    },
    {
      "resolution_limits": [4.65,4.02],
      "number_observations_unique": 5881,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06
        },
        {
          "type": "R(meas)",
          "value": 0.075
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [5.69,4.65],
      "number_observations_unique": 4936,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06
        },
        {
          "type": "R(meas)",
          "value": 0.075
        },
        {
          "type": "CC(1/2)",
          "value": 0.9890000000000001
        }
      ]
    },
    {
      "resolution_limits": [8.05,5.69],
      "number_observations_unique": 3863,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055999999999999994
        },
        {
          "type": "R(meas)",
          "value": 0.07
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [45.27,8.0],
      "number_observations_unique": 2106,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054000000000000006
        },
        {
          "type": "R(meas)",
          "value": 0.067
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    }
  ]

}
  

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


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