Data quality metrics extracted from 8ppx.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": "da8f40c73362ed5984ac694f28090bfd",
  "space_group_name": "P 64 2 2",
  "unit_cell": {
    "a": 73.96,
    "b": 73.96,
    "c": 128.18,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.46],
    "number_observations_unique": 14236,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.271
      },
      {
        "type": "R(meas)",
        "value": 0.278
      },
      {
        "type": "I/SigI",
        "value": 11.93
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 20
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.61,2.46],
      "number_observations_unique": 2289,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 5.164
        },
        {
          "type": "R(meas)",
          "value": 5.293
        },
        {
          "type": "CC(1/2)",
          "value": 0.321
        }
      ]
    },
    {
      "resolution_limits": [2.79,2.61],
      "number_observations_unique": 2153,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.814
        },
        {
          "type": "R(meas)",
          "value": 2.884
        },
        {
          "type": "CC(1/2)",
          "value": 0.55
        }
      ]
    },
    {
      "resolution_limits": [3.01,2.79],
      "number_observations_unique": 2015,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.529
        },
        {
          "type": "R(meas)",
          "value": 1.566
        },
        {
          "type": "CC(1/2)",
          "value": 0.804
        }
      ]
    },
    {
      "resolution_limits": [3.3,3.01],
      "number_observations_unique": 1852,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.868
        },
        {
          "type": "R(meas)",
          "value": 0.89
        },
        {
          "type": "CC(1/2)",
          "value": 0.915
        }
      ]
    },
    {
      "resolution_limits": [3.68,3.30],
      "number_observations_unique": 1673,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.388
        },
        {
          "type": "R(meas)",
          "value": 0.397
        },
        {
          "type": "CC(1/2)",
          "value": 0.985
        }
      ]
    },
    {
      "resolution_limits": [4.25,3.68],
      "number_observations_unique": 1477,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.184
        },
        {
          "type": "R(meas)",
          "value": 0.189
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [5.19,4.25],
      "number_observations_unique": 1248,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.105
        },
        {
          "type": "R(meas)",
          "value": 0.108
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [7.3,5.19],
      "number_observations_unique": 973,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.097
        },
        {
          "type": "R(meas)",
          "value": 0.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [10,7.30],
      "number_observations_unique": 556,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.039
        },
        {
          "type": "R(meas)",
          "value": 0.041
        },
        {
          "type": "CC(1/2)",
          "value": 1.0
        }
      ]
    }
  ]

}
  

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


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