Data quality metrics extracted from 8or1.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": "25e2399d1c08ea796fdbe3cd4c9baceb",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 73.459,
    "b": 73.459,
    "c": 95.156,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.03321],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.58,3.50],
    "number_observations_unique": 4021,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.191
      },
      {
        "type": "R(meas)",
        "value": 0.201
      },
      {
        "type": "R(pim)",
        "value": 0.062
      },
      {
        "type": "I/SigI",
        "value": 8.7
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 19.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [47.58,8.57],
      "number_observations_unique": 310,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.065
        },
        {
          "type": "R(meas)",
          "value": 0.068
        },
        {
          "type": "R(pim)",
          "value": 0.021
        },
        {
          "type": "Redundancy",
          "value": 16.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [3.83,3.50],
      "number_observations_unique": 937,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.824
        },
        {
          "type": "R(meas)",
          "value": 1.912
        },
        {
          "type": "R(pim)",
          "value": 0.573
        },
        {
          "type": "Redundancy",
          "value": 20.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.839
        }
      ]
    }
  ]

}
  

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


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