Data quality metrics extracted from 6are.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": "9b778c789411d4ad07246a2188b1bc35",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 71.36,
    "b": 106.59,
    "c": 110.84,
    "alpha": 90.00,
    "beta": 104.27,
    "gamma": 90.00
  },
  "wavelengths": [0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [31.540,1.750],
    "number_observations": 1171578,
    "number_observations_unique": 160937,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.385
      },
      {
        "type": "R(meas)",
        "value": 0.414
      },
      {
        "type": "R(pim)",
        "value": 0.152
      },
      {
        "type": "I/SigI",
        "value": 4.100
      },
      {
        "type": "Completeness",
        "value": 99.600
      },
      {
        "type": "Redundancy",
        "value": 7.300
      },
      {
        "type": "CC(1/2)",
        "value": 0.968
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.780,1.750],
      "number_observations": 56041,
      "number_observations_unique": 7929,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.971
        },
        {
          "type": "R(meas)",
          "value": 2.126
        },
        {
          "type": "R(pim)",
          "value": 0.793
        },
        {
          "type": "I/SigI",
          "value": 1.000
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 7.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.368
        }
      ]
    },
    {
      "resolution_limits": [31.540,9.590],
      "number_observations": 6361,
      "number_observations_unique": 1013,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.202
        },
        {
          "type": "R(meas)",
          "value": 0.219
        },
        {
          "type": "R(pim)",
          "value": 0.085
        },
        {
          "type": "I/SigI",
          "value": 8.700
        },
        {
          "type": "Completeness",
          "value": 97.200
        },
        {
          "type": "Redundancy",
          "value": 6.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.956
        }
      ]
    }
  ]

}
  

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


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