Data quality metrics extracted from 9gla.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": "1ce13e59852646138b1b8bcc39b61fbc",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 71.937,
    "b": 109.786,
    "c": 163.554,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98011],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.47,2.18],
    "number_observations_unique": 33815,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.322
      },
      {
        "type": "R(meas)",
        "value": 0.335
      },
      {
        "type": "I/SigI",
        "value": 9.47
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "Redundancy",
        "value": 13.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.31,2.18],
      "number_observations_unique": 5245,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.358
        }
      ]
    },
    {
      "resolution_limits": [2.47,2.31],
      "number_observations_unique": 5087,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.624
        }
      ]
    },
    {
      "resolution_limits": [2.67,2.47],
      "number_observations_unique": 4573,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.801
        }
      ]
    },
    {
      "resolution_limits": [2.93,2.67],
      "number_observations_unique": 4383,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.909
        }
      ]
    },
    {
      "resolution_limits": [3.27,2.93],
      "number_observations_unique": 4018,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.974
        }
      ]
    },
    {
      "resolution_limits": [3.77,3.27],
      "number_observations_unique": 3525,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [4.61,3.77],
      "number_observations_unique": 3022,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [6.50,4.61],
      "number_observations_unique": 2384,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [48.47,6.50],
      "number_observations_unique": 1398,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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