Data quality metrics extracted from 8q95.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": "ed2aabaf9a2b38fde3ea444cb642167f",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 82.222,
    "b": 89.560,
    "c": 72.198,
    "alpha": 90.00,
    "beta": 111.63,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.22,1.45],
    "number_observations_unique": 165939,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.081
      },
      {
        "type": "R(meas)",
        "value": 0.096
      },
      {
        "type": "I/SigI",
        "value": 8.08
      },
      {
        "type": "Completeness",
        "value": 97.4
      },
      {
        "type": "Redundancy",
        "value": 6.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.54,1.45],
      "number_observations_unique": 26165,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.5
        },
        {
          "type": "R(meas)",
          "value": 1.808
        },
        {
          "type": "CC(1/2)",
          "value": 0.46
        }
      ]
    },
    {
      "resolution_limits": [1.64,1.54],
      "number_observations_unique": 25183,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7559999999999999
        },
        {
          "type": "R(meas)",
          "value": 0.9079999999999999
        },
        {
          "type": "CC(1/2)",
          "value": 0.731
        }
      ]
    },
    {
      "resolution_limits": [1.77,1.64],
      "number_observations_unique": 23387,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.405
        },
        {
          "type": "R(meas)",
          "value": 0.48
        },
        {
          "type": "CC(1/2)",
          "value": 0.9059999999999999
        }
      ]
    },
    {
      "resolution_limits": [1.94,1.77],
      "number_observations_unique": 21646,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.20199999999999999
        },
        {
          "type": "R(meas)",
          "value": 0.24
        },
        {
          "type": "CC(1/2)",
          "value": 0.965
        }
      ]
    },
    {
      "resolution_limits": [2.17,1.94],
      "number_observations_unique": 19637,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.11199999999999999
        },
        {
          "type": "R(meas)",
          "value": 0.135
        },
        {
          "type": "CC(1/2)",
          "value": 0.98
        }
      ]
    },
    {
      "resolution_limits": [2.51,2.17],
      "number_observations_unique": 17390,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.085
        },
        {
          "type": "R(meas)",
          "value": 0.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    },
    {
      "resolution_limits": [3.07,2.51],
      "number_observations_unique": 14763,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.073
        },
        {
          "type": "R(meas)",
          "value": 0.086
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [4.33,3.07],
      "number_observations_unique": 11458,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "R(meas)",
          "value": 0.07400000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.99
        }
      ]
    },
    {
      "resolution_limits": [38.22,4.33],
      "number_observations_unique": 6310,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.064
        },
        {
          "type": "R(meas)",
          "value": 0.076
        },
        {
          "type": "CC(1/2)",
          "value": 0.99
        }
      ]
    }
  ]

}
  

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


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