Data quality metrics extracted from 7ha7.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": "8098410c0f75a6cd28f45d38e6dead74",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 66.127,
    "b": 89.186,
    "c": 100.274,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.140,2.270],
    "number_observations": 99376,
    "number_observations_unique": 13258,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.217
      },
      {
        "type": "R(meas)",
        "value": 0.234
      },
      {
        "type": "R(pim)",
        "value": 0.085
      },
      {
        "type": "I/SigI",
        "value": 7.400
      },
      {
        "type": "Completeness",
        "value": 94.100
      },
      {
        "type": "Redundancy",
        "value": 7.500
      },
      {
        "type": "CC(1/2)",
        "value": 0.950
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.390,2.270],
      "number_observations": 15633,
      "number_observations_unique": 1991,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.861
        },
        {
          "type": "R(meas)",
          "value": 0.922
        },
        {
          "type": "R(pim)",
          "value": 0.322
        },
        {
          "type": "I/SigI",
          "value": 2.800
        },
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "Redundancy",
          "value": 7.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.789
        }
      ]
    },
    {
      "resolution_limits": [50.140,7.170],
      "number_observations": 3377,
      "number_observations_unique": 501,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.084
        },
        {
          "type": "R(meas)",
          "value": 0.092
        },
        {
          "type": "R(pim)",
          "value": 0.036
        },
        {
          "type": "I/SigI",
          "value": 14.900
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 6.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.856
        }
      ]
    }
  ]

}
  

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


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