Data quality metrics extracted from 9ulg.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": "880dd3f1d5b9cdaa610b7b345b849e8d",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 74.754,
    "b": 70.219,
    "c": 76.150,
    "alpha": 90.00,
    "beta": 94.72,
    "gamma": 90.00
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,1.95],
    "number_observations_unique": 28576,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 8.00
      },
      {
        "type": "Completeness",
        "value": 99.500
      },
      {
        "type": "Redundancy",
        "value": 6.50
      },
      {
        "type": "CC(1/2)",
        "value": 0.9753
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [50.00,8.56],
      "number_observations_unique": 351,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.6186
        },
        {
          "type": "CC(1/2)",
          "value": 0.9862
        }
      ]
    },
    {
      "resolution_limits": [8.56,6.11],
      "number_observations_unique": 629,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.3863
        },
        {
          "type": "CC(1/2)",
          "value": 0.9915
        }
      ]
    },
    {
      "resolution_limits": [6.11,5.01],
      "number_observations_unique": 762,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9892
        }
      ]
    },
    {
      "resolution_limits": [5.01,4.34],
      "number_observations_unique": 912,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9904
        }
      ]
    },
    {
      "resolution_limits": [4.34,3.89],
      "number_observations_unique": 1011,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9894
        }
      ]
    },
    {
      "resolution_limits": [3.89,3.55],
      "number_observations_unique": 1127,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9712
        }
      ]
    },
    {
      "resolution_limits": [3.55,3.29],
      "number_observations_unique": 1227,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9583
        }
      ]
    },
    {
      "resolution_limits": [3.29,3.08],
      "number_observations_unique": 1320,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9075
        }
      ]
    },
    {
      "resolution_limits": [3.08,2.90],
      "number_observations_unique": 1411,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.8704
        }
      ]
    },
    {
      "resolution_limits": [2.90,2.76],
      "number_observations_unique": 1474,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.8331
        }
      ]
    },
    {
      "resolution_limits": [2.76,2.63],
      "number_observations_unique": 1526,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.6893
        }
      ]
    },
    {
      "resolution_limits": [2.63,2.52],
      "number_observations_unique": 1637,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.4986
        }
      ]
    },
    {
      "resolution_limits": [2.52,2.42],
      "number_observations_unique": 1665,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.5257
        }
      ]
    },
    {
      "resolution_limits": [2.42,2.33],
      "number_observations_unique": 1747,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.4774
        }
      ]
    },
    {
      "resolution_limits": [2.33,2.25],
      "number_observations_unique": 1823,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.1140
        }
      ]
    },
    {
      "resolution_limits": [2.25,2.18],
      "number_observations_unique": 1879,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.2450
        }
      ]
    },
    {
      "resolution_limits": [2.18,2.12],
      "number_observations_unique": 1930,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.7960
        }
      ]
    },
    {
      "resolution_limits": [2.12,2.06],
      "number_observations_unique": 1983,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.0308
        }
      ]
    },
    {
      "resolution_limits": [2.06,2.00],
      "number_observations_unique": 2064,
      "quality_factors": [

      ]
    },
    {
      "resolution_limits": [2.00,1.95],
      "number_observations_unique": 2098,
      "quality_factors": [

      ]
    }
  ]

}
  

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


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