Data quality metrics extracted from 7u9n.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": "f045ecb28022eec20a94943f24e09019",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 54.910,
    "b": 68.656,
    "c": 94.402,
    "alpha": 89.65,
    "beta": 76.00,
    "gamma": 88.99
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.130,2.200],
    "number_observations": 474125,
    "number_observations_unique": 61757,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.131
      },
      {
        "type": "R(meas)",
        "value": 0.140
      },
      {
        "type": "R(pim)",
        "value": 0.050
      },
      {
        "type": "I/SigI",
        "value": 9.700
      },
      {
        "type": "Completeness",
        "value": 90.600
      },
      {
        "type": "Redundancy",
        "value": 7.700
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.250,2.200],
      "number_observations": 31749,
      "number_observations_unique": 4287,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.628
        },
        {
          "type": "R(meas)",
          "value": 1.749
        },
        {
          "type": "R(pim)",
          "value": 0.634
        },
        {
          "type": "I/SigI",
          "value": 1.400
        },
        {
          "type": "Completeness",
          "value": 85.100
        },
        {
          "type": "Redundancy",
          "value": 7.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.625
        }
      ]
    },
    {
      "resolution_limits": [38.130,9.830],
      "number_observations": 5290,
      "number_observations_unique": 688,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.069
        },
        {
          "type": "R(meas)",
          "value": 0.074
        },
        {
          "type": "R(pim)",
          "value": 0.027
        },
        {
          "type": "I/SigI",
          "value": 29.000
        },
        {
          "type": "Completeness",
          "value": 91.000
        },
        {
          "type": "Redundancy",
          "value": 7.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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