Data quality metrics extracted from 9uli.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": "2ed3bb50dfed6da200b3ed179a566fb4",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 75.154,
    "b": 70.110,
    "c": 76.464,
    "alpha": 90.00,
    "beta": 94.44,
    "gamma": 90.00
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,1.659],
    "number_observations_unique": 46241,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1540
      },
      {
        "type": "I/SigI",
        "value": 15.22
      },
      {
        "type": "Completeness",
        "value": 98.800
      },
      {
        "type": "Redundancy",
        "value": 6.53
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [50.00,7.32],
      "number_observations_unique": 557,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0811
        },
        {
          "type": "CC(1/2)",
          "value": 0.2869
        }
      ]
    },
    {
      "resolution_limits": [7.32,5.21],
      "number_observations_unique": 987,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.947
        },
        {
          "type": "CC(1/2)",
          "value": 0.2138
        }
      ]
    },
    {
      "resolution_limits": [5.21,4.27],
      "number_observations_unique": 1229,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0825
        },
        {
          "type": "CC(1/2)",
          "value": 0.0508
        }
      ]
    },
    {
      "resolution_limits": [4.27,3.70],
      "number_observations_unique": 1465,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0844
        }
      ]
    },
    {
      "resolution_limits": [3.70,3.31],
      "number_observations_unique": 1683,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0985
        }
      ]
    },
    {
      "resolution_limits": [3.31,3.02],
      "number_observations_unique": 1824,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1172
        }
      ]
    },
    {
      "resolution_limits": [3.02,2.80],
      "number_observations_unique": 1953,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1359
        }
      ]
    },
    {
      "resolution_limits": [2.80,2.62],
      "number_observations_unique": 2148,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3284
        }
      ]
    },
    {
      "resolution_limits": [2.62,2.47],
      "number_observations_unique": 2271,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5733
        }
      ]
    },
    {
      "resolution_limits": [2.47,2.35],
      "number_observations_unique": 2400,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2996
        }
      ]
    },
    {
      "resolution_limits": [2.35,2.24],
      "number_observations_unique": 2471,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3367
        }
      ]
    },
    {
      "resolution_limits": [2.24,2.14],
      "number_observations_unique": 2616,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.4447
        }
      ]
    },
    {
      "resolution_limits": [2.14,2.06],
      "number_observations_unique": 2741,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5468
        }
      ]
    },
    {
      "resolution_limits": [2.06,1.98],
      "number_observations_unique": 2873,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7036
        }
      ]
    },
    {
      "resolution_limits": [1.98,1.92],
      "number_observations_unique": 2956,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.9481
        }
      ]
    },
    {
      "resolution_limits": [1.92,1.86],
      "number_observations_unique": 2999,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.2259
        }
      ]
    },
    {
      "resolution_limits": [1.86,1.80],
      "number_observations_unique": 3149,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.7579
        }
      ]
    },
    {
      "resolution_limits": [1.80,1.75],
      "number_observations_unique": 3214,
      "quality_factors": [

      ]
    },
    {
      "resolution_limits": [1.75,1.70],
      "number_observations_unique": 3341,
      "quality_factors": [

      ]
    },
    {
      "resolution_limits": [1.70,1.66],
      "number_observations_unique": 3363,
      "quality_factors": [

      ]
    }
  ]

}
  

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


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