Data quality metrics extracted from 6o1j.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": "7c9b2f69799da8fbad1969c73051988e",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 80.301,
    "b": 259.921,
    "c": 80.350,
    "alpha": 90.00,
    "beta": 118.81,
    "gamma": 90.00
  },
  "wavelengths": [1.03321],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.750,2.000],
    "number_observations_unique": 177005,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.055
      },
      {
        "type": "R(meas)",
        "value": 0.070
      },
      {
        "type": "R(pim)",
        "value": 0.042
      },
      {
        "type": "I/SigI",
        "value": 8.500
      },
      {
        "type": "Completeness",
        "value": 91.500
      },
      {
        "type": "Redundancy",
        "value": 2.300
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.030,2.000],
      "number_observations": 9872,
      "number_observations_unique": 5559,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.827
        },
        {
          "type": "R(meas)",
          "value": 1.074
        },
        {
          "type": "R(pim)",
          "value": 0.675
        },
        {
          "type": "I/SigI",
          "value": 0.700
        },
        {
          "type": "Completeness",
          "value": 58.400
        },
        {
          "type": "Redundancy",
          "value": 1.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.462
        }
      ]
    },
    {
      "resolution_limits": [47.750,10.950],
      "number_observations": 2928,
      "number_observations_unique": 1173,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.016
        },
        {
          "type": "R(meas)",
          "value": 0.021
        },
        {
          "type": "R(pim)",
          "value": 0.012
        },
        {
          "type": "I/SigI",
          "value": 26.000
        },
        {
          "type": "Completeness",
          "value": 96.400
        },
        {
          "type": "Redundancy",
          "value": 2.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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