Data quality metrics extracted from 8pqm.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": "e13831494498e67618a777873f541081",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 28.31,
    "b": 38.37,
    "c": 66.71,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97970],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,1.46],
    "number_observations_unique": 24387,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.067
      },
      {
        "type": "R(meas)",
        "value": 0.073
      },
      {
        "type": "I/SigI",
        "value": 12.26
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 6.76
      },
      {
        "type": "CC(1/2)",
        "value": 0.9990000000000001
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.55,1.46],
      "number_observations_unique": 3958,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.1189999999999998
        },
        {
          "type": "R(meas)",
          "value": 3.388
        },
        {
          "type": "CC(1/2)",
          "value": 0.319
        }
      ]
    },
    {
      "resolution_limits": [1.66,1.55],
      "number_observations_unique": 3669,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.696
        },
        {
          "type": "R(meas)",
          "value": 1.834
        },
        {
          "type": "CC(1/2)",
          "value": 0.502
        }
      ]
    },
    {
      "resolution_limits": [1.79,1.66],
      "number_observations_unique": 3476,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.868
        },
        {
          "type": "R(meas)",
          "value": 0.938
        },
        {
          "type": "CC(1/2)",
          "value": 0.772
        }
      ]
    },
    {
      "resolution_limits": [1.96,1.79],
      "number_observations_unique": 3167,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.373
        },
        {
          "type": "R(meas)",
          "value": 0.405
        },
        {
          "type": "CC(1/2)",
          "value": 0.9490000000000001
        }
      ]
    },
    {
      "resolution_limits": [2.19,1.96],
      "number_observations_unique": 2856,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.159
        },
        {
          "type": "R(meas)",
          "value": 0.171
        },
        {
          "type": "CC(1/2)",
          "value": 0.99
        }
      ]
    },
    {
      "resolution_limits": [2.52,2.19],
      "number_observations_unique": 2552,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.081
        },
        {
          "type": "R(meas)",
          "value": 0.08800000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.09,2.52],
      "number_observations_unique": 2131,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054000000000000006
        },
        {
          "type": "R(meas)",
          "value": 0.059000000000000004
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [4.35,3.09],
      "number_observations_unique": 1655,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037000000000000005
        },
        {
          "type": "R(meas)",
          "value": 0.04
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    }
  ]

}
  

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


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