Data quality metrics extracted from 6arr.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": "4faaacf7c879a8fae6d7c1275f1a14fe",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 71.41,
    "b": 105.27,
    "c": 110.45,
    "alpha": 90.00,
    "beta": 108.61,
    "gamma": 90.00
  },
  "wavelengths": [0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [56.930,1.820],
    "number_observations": 1019921,
    "number_observations_unique": 137982,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.230
      },
      {
        "type": "R(meas)",
        "value": 0.248
      },
      {
        "type": "R(pim)",
        "value": 0.090
      },
      {
        "type": "I/SigI",
        "value": 8.300
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 7.400
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.850,1.820],
      "number_observations": 45628,
      "number_observations_unique": 6752,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.151
        },
        {
          "type": "R(meas)",
          "value": 2.330
        },
        {
          "type": "R(pim)",
          "value": 0.885
        },
        {
          "type": "I/SigI",
          "value": 1.000
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 6.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.314
        }
      ]
    },
    {
      "resolution_limits": [56.930,9.980],
      "number_observations": 5741,
      "number_observations_unique": 877,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044
        },
        {
          "type": "R(meas)",
          "value": 0.048
        },
        {
          "type": "R(pim)",
          "value": 0.018
        },
        {
          "type": "I/SigI",
          "value": 31.700
        },
        {
          "type": "Completeness",
          "value": 98.700
        },
        {
          "type": "Redundancy",
          "value": 6.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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