Data quality metrics extracted from 8va7.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": "9871a9cbddf0fe8c49caa65225254a36",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 135.609,
    "b": 132.867,
    "c": 99.217,
    "alpha": 90.00,
    "beta": 116.27,
    "gamma": 90.00
  },
  "wavelengths": [0.97934],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.22,2.6],
    "number_observations_unique": 46772,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.17800000000000002
      },
      {
        "type": "R(meas)",
        "value": 0.193
      },
      {
        "type": "I/SigI",
        "value": 9.55
      },
      {
        "type": "Completeness",
        "value": 96.2
      },
      {
        "type": "Redundancy",
        "value": 6.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.9990000000000001
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.76,2.60],
      "number_observations_unique": 7693,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.78
        },
        {
          "type": "CC(1/2)",
          "value": 0.727
        }
      ]
    },
    {
      "resolution_limits": [2.95,2.76],
      "number_observations_unique": 7237,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.125
        },
        {
          "type": "CC(1/2)",
          "value": 0.731
        }
      ]
    },
    {
      "resolution_limits": [3.18,2.95],
      "number_observations_unique": 6707,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.67
        },
        {
          "type": "CC(1/2)",
          "value": 0.8690000000000001
        }
      ]
    },
    {
      "resolution_limits": [3.48,3.18],
      "number_observations_unique": 6134,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.33899999999999997
        },
        {
          "type": "CC(1/2)",
          "value": 0.965
        }
      ]
    },
    {
      "resolution_limits": [3.89,3.48],
      "number_observations_unique": 4639,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.23
        },
        {
          "type": "CC(1/2)",
          "value": 0.981
        }
      ]
    },
    {
      "resolution_limits": [4.49,3.89],
      "number_observations_unique": 4972,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.11599999999999999
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [5.49,4.49],
      "number_observations_unique": 4158,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.095
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [7.71,5.49],
      "number_observations_unique": 3305,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.081
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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