Data quality metrics extracted from 6ndn.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": "84c47b50a6166d8fbf6a4c503e699097",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 126.520,
    "b": 126.520,
    "c": 134.091,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.96863],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [92.050,1.768],
    "number_observations_unique": 106193,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.160
      },
      {
        "type": "R(pim)",
        "value": 0.032
      },
      {
        "type": "I/SigI",
        "value": 11.0
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 25.800
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.820,1.770],
      "number_observations_unique": 7721,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.354
        },
        {
          "type": "R(pim)",
          "value": 0.482
        },
        {
          "type": "I/SigI",
          "value": 1.0
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 24.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.761
        }
      ]
    },
    {
      "resolution_limits": [92.050,7.920],
      "number_observations_unique": 1374,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.050
        },
        {
          "type": "R(pim)",
          "value": 0.010
        },
        {
          "type": "I/SigI",
          "value": 33.7
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 23.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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