Data quality metrics extracted from 6fl8.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": "9a076a242de86c642f241df2cbc6805f",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 59.99,
    "b": 61.45,
    "c": 83.43,
    "alpha": 89.55,
    "beta": 88.00,
    "gamma": 62.08
  },
  "wavelengths": [0.92820],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [54.290,2.100],
    "number_observations": 129143,
    "number_observations_unique": 55908,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.079
      },
      {
        "type": "R(meas)",
        "value": 0.104
      },
      {
        "type": "R(pim)",
        "value": 0.066
      },
      {
        "type": "I/SigI",
        "value": 6.300
      },
      {
        "type": "Completeness",
        "value": 91.000
      },
      {
        "type": "Redundancy",
        "value": 2.300
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.150,2.100],
      "number_observations_unique": 4199,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.675
        },
        {
          "type": "R(meas)",
          "value": 0.884
        },
        {
          "type": "R(pim)",
          "value": 0.565
        },
        {
          "type": "Completeness",
          "value": 92.100
        },
        {
          "type": "Redundancy",
          "value": 2.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.527
        }
      ]
    },
    {
      "resolution_limits": [54.290,9.390],
      "number_observations_unique": 667,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "R(meas)",
          "value": 0.049
        },
        {
          "type": "R(pim)",
          "value": 0.031
        },
        {
          "type": "Completeness",
          "value": 97.100
        },
        {
          "type": "Redundancy",
          "value": 2.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    }
  ]

}
  

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


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