Data quality metrics extracted from 9s8h.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "1ada92f85084b1b60dd57dd098e5976e",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 90.09,
    "b": 72.58,
    "c": 102.93,
    "alpha": 90.00,
    "beta": 97.04,
    "gamma": 90.00
  },
  "wavelengths": [0.87310],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.805,1.5],
    "number_observations_unique": 209623,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.161
      },
      {
        "type": "R(meas)",
        "value": 0.174
      },
      {
        "type": "I/SigI",
        "value": 8.23
      },
      {
        "type": "Completeness",
        "value": 99.6
      },
      {
        "type": "Redundancy",
        "value": 6.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.54,1.50],
      "number_observations_unique": 15469,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.643
        },
        {
          "type": "R(meas)",
          "value": 1.778
        },
        {
          "type": "CC(1/2)",
          "value": 0.187
        }
      ]
    },
    {
      "resolution_limits": [1.58,1.54],
      "number_observations_unique": 15097,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.574
        },
        {
          "type": "R(meas)",
          "value": 1.702
        },
        {
          "type": "CC(1/2)",
          "value": 0.282
        }
      ]
    },
    {
      "resolution_limits": [1.63,1.58],
      "number_observations_unique": 14562,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.447
        },
        {
          "type": "R(meas)",
          "value": 1.565
        },
        {
          "type": "CC(1/2)",
          "value": 0.381
        }
      ]
    },
    {
      "resolution_limits": [1.68,1.63],
      "number_observations_unique": 14246,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.197
        },
        {
          "type": "R(meas)",
          "value": 1.294
        },
        {
          "type": "CC(1/2)",
          "value": 0.418
        }
      ]
    },
    {
      "resolution_limits": [1.73,1.68],
      "number_observations_unique": 13814,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.075
        },
        {
          "type": "R(meas)",
          "value": 1.161
        },
        {
          "type": "CC(1/2)",
          "value": 0.557
        }
      ]
    },
    {
      "resolution_limits": [1.79,1.73],
      "number_observations_unique": 13275,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.932
        },
        {
          "type": "R(meas)",
          "value": 1.007
        },
        {
          "type": "CC(1/2)",
          "value": 0.652
        }
      ]
    },
    {
      "resolution_limits": [1.86,1.79],
      "number_observations_unique": 12917,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.788
        },
        {
          "type": "R(meas)",
          "value": 0.852
        },
        {
          "type": "CC(1/2)",
          "value": 0.74
        }
      ]
    },
    {
      "resolution_limits": [1.94,1.86],
      "number_observations_unique": 12427,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.621
        },
        {
          "type": "R(meas)",
          "value": 0.672
        },
        {
          "type": "CC(1/2)",
          "value": 0.856
        }
      ]
    },
    {
      "resolution_limits": [2.02,1.94],
      "number_observations_unique": 11925,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.517
        },
        {
          "type": "R(meas)",
          "value": 0.56
        },
        {
          "type": "CC(1/2)",
          "value": 0.902
        }
      ]
    },
    {
      "resolution_limits": [2.12,2.02],
      "number_observations_unique": 11318,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.41
        },
        {
          "type": "R(meas)",
          "value": 0.444
        },
        {
          "type": "CC(1/2)",
          "value": 0.938
        }
      ]
    },
    {
      "resolution_limits": [2.24,2.12],
      "number_observations_unique": 10786,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.315
        },
        {
          "type": "R(meas)",
          "value": 0.341
        },
        {
          "type": "CC(1/2)",
          "value": 0.965
        }
      ]
    },
    {
      "resolution_limits": [2.37,2.24],
      "number_observations_unique": 10258,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.233
        },
        {
          "type": "R(meas)",
          "value": 0.252
        },
        {
          "type": "CC(1/2)",
          "value": 0.981
        }
      ]
    },
    {
      "resolution_limits": [2.54,2.37],
      "number_observations_unique": 9618,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.185
        },
        {
          "type": "R(meas)",
          "value": 0.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [2.74,2.54],
      "number_observations_unique": 9010,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.142
        },
        {
          "type": "R(meas)",
          "value": 0.153
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [3.0,2.74],
      "number_observations_unique": 8289,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.108
        },
        {
          "type": "R(meas)",
          "value": 0.117
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.35,3.00],
      "number_observations_unique": 7480,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.079
        },
        {
          "type": "R(meas)",
          "value": 0.085
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.87,3.35],
      "number_observations_unique": 6668,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.052
        },
        {
          "type": "R(meas)",
          "value": 0.057
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [4.74,3.87],
      "number_observations_unique": 5634,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "R(meas)",
          "value": 0.044
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [6.71,4.74],
      "number_observations_unique": 4385,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.039
        },
        {
          "type": "R(meas)",
          "value": 0.042
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [47.805,6.71],
      "number_observations_unique": 2445,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        },
        {
          "type": "R(meas)",
          "value": 0.038
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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