Data quality metrics extracted from 9dx6.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": "62b2bd489473d723fea65b562eb8dc89",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 187.237,
    "b": 54.461,
    "c": 104.130,
    "alpha": 90.0,
    "beta": 97.2,
    "gamma": 90.0
  },
  "wavelengths": [0.95372],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.76,2.4],
    "number_observations_unique": 41378,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.166
      },
      {
        "type": "R(meas)",
        "value": 0.18
      },
      {
        "type": "I/SigI",
        "value": 9.53
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 7.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.54,2.40],
      "number_observations_unique": 6614,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.0859999999999999
        },
        {
          "type": "R(meas)",
          "value": 1.176
        },
        {
          "type": "CC(1/2)",
          "value": 0.642
        }
      ]
    },
    {
      "resolution_limits": [2.72,2.54],
      "number_observations_unique": 6229,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.743
        },
        {
          "type": "R(meas)",
          "value": 0.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.792
        }
      ]
    },
    {
      "resolution_limits": [2.93,2.72],
      "number_observations_unique": 5785,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.493
        },
        {
          "type": "R(meas)",
          "value": 0.531
        },
        {
          "type": "CC(1/2)",
          "value": 0.9
        }
      ]
    },
    {
      "resolution_limits": [3.21,2.93],
      "number_observations_unique": 5377,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.306
        },
        {
          "type": "R(meas)",
          "value": 0.331
        },
        {
          "type": "CC(1/2)",
          "value": 0.9540000000000001
        }
      ]
    },
    {
      "resolution_limits": [3.59,3.21],
      "number_observations_unique": 4881,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.17
        },
        {
          "type": "R(meas)",
          "value": 0.184
        },
        {
          "type": "CC(1/2)",
          "value": 0.985
        }
      ]
    },
    {
      "resolution_limits": [4.14,3.59],
      "number_observations_unique": 4284,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.107
        },
        {
          "type": "R(meas)",
          "value": 0.115
        },
        {
          "type": "CC(1/2)",
          "value": 0.9940000000000001
        }
      ]
    },
    {
      "resolution_limits": [5.06,4.14],
      "number_observations_unique": 3652,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07400000000000001
        },
        {
          "type": "R(meas)",
          "value": 0.079
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [7.12,5.06],
      "number_observations_unique": 2877,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.079
        },
        {
          "type": "R(meas)",
          "value": 0.086
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

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


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