Data quality metrics extracted from 9u8g.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": "9755c756d1a7ce563aeb05f568b431ba",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 67.616,
    "b": 69.827,
    "c": 82.192,
    "alpha": 104.97,
    "beta": 112.85,
    "gamma": 102.10
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [18.29,2.0],
    "number_observations_unique": 81800,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 13.18
      },
      {
        "type": "Completeness",
        "value": 96.2
      },
      {
        "type": "Redundancy",
        "value": 3.18
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.12,2.00],
      "number_observations_unique": 12927,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.67
        },
        {
          "type": "CC(1/2)",
          "value": 0.555
        }
      ]
    },
    {
      "resolution_limits": [2.26,2.12],
      "number_observations_unique": 12252,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 2.67
        },
        {
          "type": "CC(1/2)",
          "value": 0.779
        }
      ]
    },
    {
      "resolution_limits": [2.44,2.26],
      "number_observations_unique": 11468,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 4.58
        },
        {
          "type": "CC(1/2)",
          "value": 0.917
        }
      ]
    },
    {
      "resolution_limits": [2.67,2.44],
      "number_observations_unique": 10655,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 7.26
        },
        {
          "type": "CC(1/2)",
          "value": 0.975
        }
      ]
    },
    {
      "resolution_limits": [2.98,2.67],
      "number_observations_unique": 9673,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 12.07
        },
        {
          "type": "CC(1/2)",
          "value": 0.989
        }
      ]
    },
    {
      "resolution_limits": [3.42,2.98],
      "number_observations_unique": 8525,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 21.24
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [4.16,3.42],
      "number_observations_unique": 7308,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 32.92
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [5.73,4.16],
      "number_observations_unique": 5684,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 40.25
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [18.29,5.73],
      "number_observations_unique": 3308,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 38.30
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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