Data quality metrics extracted from 8ixu.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": "7bc843ef009258e585eb391ac33cce6b",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 51.31,
    "b": 54.53,
    "c": 142.87,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.99000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.29,1.3],
    "number_observations_unique": 99979,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.107
      },
      {
        "type": "R(meas)",
        "value": 0.11199999999999999
      },
      {
        "type": "I/SigI",
        "value": 13.58
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 13.2704567959
      },
      {
        "type": "CC(1/2)",
        "value": 1.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.33,1.30],
      "number_observations_unique": 7225,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.188
        },
        {
          "type": "R(meas)",
          "value": 3.324
        },
        {
          "type": "I/SigI",
          "value": 0.74
        },
        {
          "type": "CC(1/2)",
          "value": 0.27699999999999997
        }
      ]
    },
    {
      "resolution_limits": [1.37,1.33],
      "number_observations_unique": 7134,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.63
        },
        {
          "type": "R(meas)",
          "value": 2.7310000000000003
        },
        {
          "type": "I/SigI",
          "value": 1.00
        },
        {
          "type": "CC(1/2)",
          "value": 0.44299999999999995
        }
      ]
    },
    {
      "resolution_limits": [1.41,1.37],
      "number_observations_unique": 6940,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.173
        },
        {
          "type": "R(meas)",
          "value": 2.256
        },
        {
          "type": "I/SigI",
          "value": 1.28
        },
        {
          "type": "CC(1/2)",
          "value": 0.522
        }
      ]
    },
    {
      "resolution_limits": [1.45,1.41],
      "number_observations_unique": 6739,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.74
        },
        {
          "type": "R(meas)",
          "value": 1.806
        },
        {
          "type": "I/SigI",
          "value": 1.67
        },
        {
          "type": "CC(1/2)",
          "value": 0.6759999999999999
        }
      ]
    },
    {
      "resolution_limits": [1.5,1.45],
      "number_observations_unique": 6545,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.3230000000000002
        },
        {
          "type": "R(meas)",
          "value": 1.374
        },
        {
          "type": "I/SigI",
          "value": 2.28
        },
        {
          "type": "CC(1/2)",
          "value": 0.804
        }
      ]
    },
    {
      "resolution_limits": [1.55,1.50],
      "number_observations_unique": 6347,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.051
        },
        {
          "type": "R(meas)",
          "value": 1.091
        },
        {
          "type": "I/SigI",
          "value": 2.96
        },
        {
          "type": "CC(1/2)",
          "value": 0.8690000000000001
        }
      ]
    },
    {
      "resolution_limits": [1.61,1.55],
      "number_observations_unique": 6112,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.8420000000000001
        },
        {
          "type": "R(meas)",
          "value": 0.8740000000000001
        },
        {
          "type": "I/SigI",
          "value": 3.79
        },
        {
          "type": "CC(1/2)",
          "value": 0.9079999999999999
        }
      ]
    },
    {
      "resolution_limits": [1.67,1.61],
      "number_observations_unique": 5865,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.62
        },
        {
          "type": "R(meas)",
          "value": 0.644
        },
        {
          "type": "I/SigI",
          "value": 5.21
        },
        {
          "type": "CC(1/2)",
          "value": 0.948
        }
      ]
    },
    {
      "resolution_limits": [1.75,1.67],
      "number_observations_unique": 5670,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.498
        },
        {
          "type": "R(meas)",
          "value": 0.517
        },
        {
          "type": "I/SigI",
          "value": 6.45
        },
        {
          "type": "CC(1/2)",
          "value": 0.966
        }
      ]
    },
    {
      "resolution_limits": [1.83,1.75],
      "number_observations_unique": 5458,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.377
        },
        {
          "type": "R(meas)",
          "value": 0.392
        },
        {
          "type": "I/SigI",
          "value": 8.44
        },
        {
          "type": "CC(1/2)",
          "value": 0.978
        }
      ]
    },
    {
      "resolution_limits": [1.93,1.83],
      "number_observations_unique": 5136,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.267
        },
        {
          "type": "R(meas)",
          "value": 0.27899999999999997
        },
        {
          "type": "I/SigI",
          "value": 11.48
        },
        {
          "type": "CC(1/2)",
          "value": 0.9890000000000001
        }
      ]
    },
    {
      "resolution_limits": [2.05,1.93],
      "number_observations_unique": 4900,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.18
        },
        {
          "type": "R(meas)",
          "value": 0.18899999999999997
        },
        {
          "type": "I/SigI",
          "value": 15.82
        },
        {
          "type": "CC(1/2)",
          "value": 0.9940000000000001
        }
      ]
    },
    {
      "resolution_limits": [2.19,2.05],
      "number_observations_unique": 4637,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.133
        },
        {
          "type": "R(meas)",
          "value": 0.139
        },
        {
          "type": "I/SigI",
          "value": 21.34
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [2.37,2.19],
      "number_observations_unique": 4293,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.102
        },
        {
          "type": "R(meas)",
          "value": 0.107
        },
        {
          "type": "I/SigI",
          "value": 27.78
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [2.59,2.37],
      "number_observations_unique": 3991,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08
        },
        {
          "type": "R(meas)",
          "value": 0.083
        },
        {
          "type": "I/SigI",
          "value": 34.64
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [2.9,2.59],
      "number_observations_unique": 3603,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.067
        },
        {
          "type": "R(meas)",
          "value": 0.069
        },
        {
          "type": "I/SigI",
          "value": 40.33
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [3.35,2.90],
      "number_observations_unique": 3199,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "R(meas)",
          "value": 0.053
        },
        {
          "type": "I/SigI",
          "value": 48.29
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [4.1,3.35],
      "number_observations_unique": 2751,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "R(meas)",
          "value": 0.04
        },
        {
          "type": "I/SigI",
          "value": 57.11
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        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [5.8,4.10],
      "number_observations_unique": 2172,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        },
        {
          "type": "R(meas)",
          "value": 0.036000000000000004
        },
        {
          "type": "I/SigI",
          "value": 60.74
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [48.29,5.80],
      "number_observations_unique": 1262,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
        },
        {
          "type": "R(meas)",
          "value": 0.032
        },
        {
          "type": "I/SigI",
          "value": 57.75
        },
        {
          "type": "CC(1/2)",
          "value": 1.0
        }
      ]
    }
  ]

}
  

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


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