Data quality metrics extracted from 9pr9.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": "c5095ffbabcb50985dc77233943f5334",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 125.980,
    "b": 131.930,
    "c": 155.327,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [100.6,3.22],
    "number_observations_unique": 42547,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 3.09
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 7.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.967
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.3,3.22],
      "number_observations_unique": 3095,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.327
        }
      ]
    },
    {
      "resolution_limits": [3.39,3.30],
      "number_observations_unique": 3022,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.392
        }
      ]
    },
    {
      "resolution_limits": [3.49,3.39],
      "number_observations_unique": 2926,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.494
        }
      ]
    },
    {
      "resolution_limits": [3.6,3.49],
      "number_observations_unique": 2884,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.571
        }
      ]
    },
    {
      "resolution_limits": [3.72,3.60],
      "number_observations_unique": 2764,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.68
        }
      ]
    },
    {
      "resolution_limits": [3.85,3.72],
      "number_observations_unique": 2690,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.76
        }
      ]
    },
    {
      "resolution_limits": [3.99,3.85],
      "number_observations_unique": 2616,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.875
        }
      ]
    },
    {
      "resolution_limits": [4.16,3.99],
      "number_observations_unique": 2486,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.902
        }
      ]
    },
    {
      "resolution_limits": [4.34,4.16],
      "number_observations_unique": 2427,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.954
        }
      ]
    },
    {
      "resolution_limits": [4.55,4.34],
      "number_observations_unique": 2290,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.961
        }
      ]
    },
    {
      "resolution_limits": [4.8,4.55],
      "number_observations_unique": 2192,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.976
        }
      ]
    },
    {
      "resolution_limits": [5.09,4.80],
      "number_observations_unique": 2086,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.962
        }
      ]
    },
    {
      "resolution_limits": [5.44,5.09],
      "number_observations_unique": 1948,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.951
        }
      ]
    },
    {
      "resolution_limits": [5.88,5.44],
      "number_observations_unique": 1838,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.962
        }
      ]
    },
    {
      "resolution_limits": [6.44,5.88],
      "number_observations_unique": 1696,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.957
        }
      ]
    },
    {
      "resolution_limits": [7.2,6.44],
      "number_observations_unique": 1553,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.979
        }
      ]
    },
    {
      "resolution_limits": [8.31,7.20],
      "number_observations_unique": 1382,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    }
  ]

}
  

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


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