Data quality metrics extracted from 6aoc.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": "b57f27a56228170daff58139066697b7",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 70.37,
    "b": 89.12,
    "c": 112.73,
    "alpha": 105.72,
    "beta": 95.03,
    "gamma": 110.72
  },
  "wavelengths": [1.03300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [55.320,1.800],
    "number_observations": 761476,
    "number_observations_unique": 217194,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.062
      },
      {
        "type": "R(pim)",
        "value": 0.033
      },
      {
        "type": "I/SigI",
        "value": 9.900
      },
      {
        "type": "Completeness",
        "value": 97.100
      },
      {
        "type": "Redundancy",
        "value": 3.500
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.830,1.800],
      "number_observations": 34281,
      "number_observations_unique": 10575,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 1.812
        },
        {
          "type": "R(pim)",
          "value": 0.984
        },
        {
          "type": "I/SigI",
          "value": 0.700
        },
        {
          "type": "Completeness",
          "value": 94.600
        },
        {
          "type": "Redundancy",
          "value": 3.200
        }
      ]
    },
    {
      "resolution_limits": [55.340,4.880],
      "number_observations": 38373,
      "number_observations_unique": 11006,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.038
        },
        {
          "type": "R(pim)",
          "value": 0.020
        },
        {
          "type": "I/SigI",
          "value": 29.900
        },
        {
          "type": "Completeness",
          "value": 98.300
        },
        {
          "type": "Redundancy",
          "value": 3.500
        }
      ]
    }
  ]

}
  

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


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