Data quality metrics extracted from 9uny.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": "ce97d052a7de4ac903e0067447f1ec00",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 85.235,
    "b": 125.934,
    "c": 132.097,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [62.967,1.8],
    "number_observations_unique": 85324,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.125
      },
      {
        "type": "R(meas)",
        "value": 0.253
      },
      {
        "type": "I/SigI",
        "value": 2.77
      },
      {
        "type": "Completeness",
        "value": 99.4
      },
      {
        "type": "Redundancy",
        "value": 10.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.986
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [5.07,4.03],
      "number_observations_unique": 7803,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 27.250
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [4.03,3.29],
      "number_observations_unique": 9982,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.29,2.85],
      "number_observations_unique": 11707,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    },
    {
      "resolution_limits": [2.85,2.55],
      "number_observations_unique": 13175,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.938
        }
      ]
    },
    {
      "resolution_limits": [2.55,2.33],
      "number_observations_unique": 13948,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.789
        }
      ]
    },
    {
      "resolution_limits": [2.33,2.15],
      "number_observations_unique": 10141,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 91.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.433
        }
      ]
    },
    {
      "resolution_limits": [2.15,2.01],
      "number_observations_unique": 7280,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 83.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.121
        }
      ]
    },
    {
      "resolution_limits": [2.01,1.9],
      "number_observations_unique": 2254,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 74.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.050
        }
      ]
    },
    {
      "resolution_limits": [1.9,1.8],
      "number_observations_unique": 1789,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 64.7
        }
      ]
    }
  ]

}
  

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


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