Data quality metrics extracted from 6pfs.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": "494f97846eb6a2537306c77984f3c628",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 51.422,
    "b": 59.246,
    "c": 65.302,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97946],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25.711,1.759],
    "number_observations_unique": 20330,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03846
      },
      {
        "type": "R(meas)",
        "value": 0.05439
      },
      {
        "type": "I/SigI",
        "value": 8.52
      },
      {
        "type": "Completeness",
        "value": 99.60
      },
      {
        "type": "Redundancy",
        "value": 2
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.822,1.759],
      "number_observations_unique": 1968,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.4464
        },
        {
          "type": "R(meas)",
          "value": 0.6313
        },
        {
          "type": "I/SigI",
          "value": 1.68
        },
        {
          "type": "Completeness",
          "value": 98.35
        },
        {
          "type": "Redundancy",
          "value": 2
        },
        {
          "type": "CC(1/2)",
          "value": 0.703
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 25.711 1.822
High resolution limit [Å] 1.759 1.759
R(merge) 0.0385 0.4464
R(meas) 0.0544 0.6313
CC(1/2) 0.999 0.703
Completeness [%] 99.6 98.4
Multiplicity 2.0 2.0


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
1.822-1.759 0.4464 0.6313 0.703 98.4 2.0